smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)nc2c(O)cccn12 ZINC000072158431 1102104453 /nfs/dbraw/zinc/10/44/53/1102104453.db2.gz RCBPDHCBDCBYHY-MRXNPFEDSA-N 1 1 339.370 2.876 50 0 EFAAMO O=c1cc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)nc2c(O)cccn12 ZINC000072158431 1102104457 /nfs/dbraw/zinc/10/44/57/1102104457.db2.gz RCBPDHCBDCBYHY-MRXNPFEDSA-N 1 1 339.370 2.876 50 0 EFAAMO COC[C@@H](C)[N@H+]1CCCN(C(=O)c2cc(Cl)ccc2OC)CC1 ZINC000989609263 1106478118 /nfs/dbraw/zinc/47/81/18/1106478118.db2.gz UBZVRGLMFVHDOR-CYBMUJFWSA-N 1 1 340.851 2.531 50 0 EFAAMO CC(C)(C)CN1CCC[C@]2(CC[N@@H+](CCCn3cccn3)C2)C1=O ZINC000011813635 201815241 /nfs/dbraw/zinc/81/52/41/201815241.db2.gz ZKILPIVRMYIZQP-LJQANCHMSA-N 1 1 332.492 2.634 50 0 EFAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cnn(C)c3C)C2)cc1F ZINC000012454588 201848993 /nfs/dbraw/zinc/84/89/93/201848993.db2.gz NTZAJRQVAOOZIR-HNNXBMFYSA-N 1 1 345.418 2.971 50 0 EFAAMO CCn1c(=O)[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(C)c2C)C1 ZINC000067755022 215202982 /nfs/dbraw/zinc/20/29/82/215202982.db2.gz QHLZGEMXSKRSQT-MRXNPFEDSA-N 1 1 344.459 2.596 50 0 EFAAMO CCCCc1nc(NCCNC(=O)c2ccc(O)cc2)cc(C)[nH+]1 ZINC000243901593 535095279 /nfs/dbraw/zinc/09/52/79/535095279.db2.gz BCYMXFYNHQUSGZ-UHFFFAOYSA-N 1 1 328.416 2.675 50 0 EFAAMO C[N@@H+]1CCC[C@]2(CCCN(CCc3nc(-c4ccccc4)n[nH]3)C2)C1 ZINC000019219591 202001464 /nfs/dbraw/zinc/00/14/64/202001464.db2.gz XVNUFHUPJFLQFY-FQEVSTJZSA-N 1 1 339.487 2.822 50 0 EFAAMO C[N@H+]1CCC[C@]2(CCCN(CCc3nc(-c4ccccc4)n[nH]3)C2)C1 ZINC000019219591 202001467 /nfs/dbraw/zinc/00/14/67/202001467.db2.gz XVNUFHUPJFLQFY-FQEVSTJZSA-N 1 1 339.487 2.822 50 0 EFAAMO OCC[C@H]1CN(Cc2cccc(O)c2)CC[N@H+]1Cc1cccs1 ZINC000019535594 202010916 /nfs/dbraw/zinc/01/09/16/202010916.db2.gz UQDXFNAOYIBGLL-INIZCTEOSA-N 1 1 332.469 2.523 50 0 EFAAMO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000019559863 202011986 /nfs/dbraw/zinc/01/19/86/202011986.db2.gz WKUUYRMZIWZJDB-UHFFFAOYSA-N 1 1 340.423 2.662 50 0 EFAAMO COc1cc(OC)cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019595043 202015677 /nfs/dbraw/zinc/01/56/77/202015677.db2.gz KUFVQEKUJKPXGF-UHFFFAOYSA-N 1 1 340.423 2.662 50 0 biogenic,in-vitro EFAAMO OCC[C@H]1C[N@H+](C2CCSCC2)CCN1Cc1ccc(F)cc1 ZINC000019720637 202016498 /nfs/dbraw/zinc/01/64/98/202016498.db2.gz HTDXJHQMXHLLLF-SFHVURJKSA-N 1 1 338.492 2.590 50 0 EFAAMO COC(=O)c1cccc(CC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000019802350 202021869 /nfs/dbraw/zinc/02/18/69/202021869.db2.gz QSMCUEYNVUETBH-UHFFFAOYSA-N 1 1 338.451 2.834 50 0 EFAAMO Clc1ccc(C[N@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)cc1 ZINC000019838651 202022161 /nfs/dbraw/zinc/02/21/61/202022161.db2.gz BTFGKLZLSDBHTE-HNNXBMFYSA-N 1 1 332.835 2.841 50 0 EFAAMO Clc1ccc(C[N@@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)cc1 ZINC000019838651 202022164 /nfs/dbraw/zinc/02/21/64/202022164.db2.gz BTFGKLZLSDBHTE-HNNXBMFYSA-N 1 1 332.835 2.841 50 0 EFAAMO C[NH+]1CCN(CCCCOc2cccc(Br)c2)CC1 ZINC000020118068 202032526 /nfs/dbraw/zinc/03/25/26/202032526.db2.gz DTZNQXCKEWVBBK-UHFFFAOYSA-N 1 1 327.266 2.856 50 0 EFAAMO C[N@H+]1CCCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000020219059 202034797 /nfs/dbraw/zinc/03/47/97/202034797.db2.gz PQSJWVGENCUNJD-UHFFFAOYSA-N 1 1 340.349 2.893 50 0 EFAAMO OCC[C@H]1CN(Cc2ccc3nsnc3c2)CC[N@H+]1C1CCCC1 ZINC000020271877 202037002 /nfs/dbraw/zinc/03/70/02/202037002.db2.gz PSTIOJFSAOTWCU-INIZCTEOSA-N 1 1 346.500 2.503 50 0 EFAAMO Cc1ccccc1C[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000020418575 202041588 /nfs/dbraw/zinc/04/15/88/202041588.db2.gz JTZNXFPUSBDIDD-UHFFFAOYSA-N 1 1 329.488 2.562 50 0 EFAAMO COc1ccc(CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)cc1OC ZINC000020540308 202047956 /nfs/dbraw/zinc/04/79/56/202047956.db2.gz IUMQWKYMEVIVEF-SFHVURJKSA-N 1 1 348.487 2.515 50 0 EFAAMO CN(Cc1cnn(C)c1)C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000020539787 202048143 /nfs/dbraw/zinc/04/81/43/202048143.db2.gz MYLMLKJTNSTWGS-KRWDZBQOSA-N 1 1 344.478 2.946 50 0 EFAAMO CCOc1ccc(CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)cc1 ZINC000020536270 202048176 /nfs/dbraw/zinc/04/81/76/202048176.db2.gz FCEMOMJUSIMXON-IBGZPJMESA-N 1 1 332.488 2.897 50 0 EFAAMO CC(C)C[N@H+]1CCN(Cc2ccc(OC(F)F)cc2)C[C@@H]1CCO ZINC000020363707 202039785 /nfs/dbraw/zinc/03/97/85/202039785.db2.gz PNZPOJMRCHYLKU-INIZCTEOSA-N 1 1 342.430 2.813 50 0 EFAAMO CCOc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCOCC2)cc1 ZINC000020869028 202055889 /nfs/dbraw/zinc/05/58/89/202055889.db2.gz ZBEGTOISJSRGPT-GOSISDBHSA-N 1 1 346.471 2.802 50 0 EFAAMO OCC[C@H]1C[N@H+](Cc2cccc(O)c2)CCN1Cc1ccccc1F ZINC000020599384 202050415 /nfs/dbraw/zinc/05/04/15/202050415.db2.gz HFHLJYCBJLBHSO-SFHVURJKSA-N 1 1 344.430 2.600 50 0 EFAAMO OCC[C@H]1C[N@@H+](Cc2cccc(O)c2)CCN1Cc1ccccc1F ZINC000020599384 202050417 /nfs/dbraw/zinc/05/04/17/202050417.db2.gz HFHLJYCBJLBHSO-SFHVURJKSA-N 1 1 344.430 2.600 50 0 EFAAMO CCOc1ccccc1C(=O)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000020869052 202057067 /nfs/dbraw/zinc/05/70/67/202057067.db2.gz RTWQYBBKKUVNKI-KRWDZBQOSA-N 1 1 346.471 2.802 50 0 EFAAMO CC(C)(C)C[N@H+]1CCN(Cc2c(F)cccc2F)C[C@@H]1CCO ZINC000020907765 202058098 /nfs/dbraw/zinc/05/80/98/202058098.db2.gz LMLVOUMSRFXBLR-AWEZNQCLSA-N 1 1 326.431 2.880 50 0 EFAAMO COc1ccc(CN2CC[N@@H+](CC(C)C)C[C@@H]2CCO)c(C)c1C ZINC000020911857 202058307 /nfs/dbraw/zinc/05/83/07/202058307.db2.gz GROSRWYDWQZNSW-IBGZPJMESA-N 1 1 334.504 2.837 50 0 EFAAMO Fc1ccccc1C1(C[NH+]2CCC(CN3CCOCC3)CC2)CC1 ZINC000020917300 202058629 /nfs/dbraw/zinc/05/86/29/202058629.db2.gz AABNQHOWTYITOP-UHFFFAOYSA-N 1 1 332.463 2.902 50 0 EFAAMO CCc1nc(C)c(CN2CC[N@@H+](CC3CCCCC3)[C@@H](CCO)C2)[nH]1 ZINC000020905650 202058689 /nfs/dbraw/zinc/05/86/89/202058689.db2.gz OXQVEPRNOJEWPL-SFHVURJKSA-N 1 1 348.535 2.729 50 0 EFAAMO C[NH+]1CCN(Cc2cccc(C(=O)c3cc(F)cc(F)c3)c2)CC1 ZINC000022028086 202077385 /nfs/dbraw/zinc/07/73/85/202077385.db2.gz IZVQJADIBJGYEE-UHFFFAOYSA-N 1 1 330.378 2.943 50 0 EFAAMO CC(C)C[N@H+]1CCN(Cc2nc3ccccc3s2)C[C@@H]1CCO ZINC000022932846 202094702 /nfs/dbraw/zinc/09/47/02/202094702.db2.gz GHJVYJDVXCSCKT-HNNXBMFYSA-N 1 1 333.501 2.821 50 0 EFAAMO CC(=O)c1cccc(CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)c1 ZINC000022919121 202094939 /nfs/dbraw/zinc/09/49/39/202094939.db2.gz UWPRIKQULIUDOH-FQEVSTJZSA-N 1 1 330.472 2.700 50 0 EFAAMO COc1ccc(CN2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)cc1O ZINC000023129942 202098634 /nfs/dbraw/zinc/09/86/34/202098634.db2.gz ZAGCLZUHUJRZRT-SFHVURJKSA-N 1 1 348.487 2.602 50 0 EFAAMO CCCn1cc(CN2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)c(C)n1 ZINC000023128570 202098770 /nfs/dbraw/zinc/09/87/70/202098770.db2.gz FIDWVZVRZUXDAP-FQEVSTJZSA-N 1 1 348.535 2.803 50 0 EFAAMO COc1cccc(C[C@@H]2C[N@H+](C3CSCCSC3)CCO2)c1 ZINC000023340209 202103011 /nfs/dbraw/zinc/10/30/11/202103011.db2.gz LDKHYMQFLYYXAF-QGZVFWFLSA-N 1 1 339.526 2.787 50 0 EFAAMO COc1ccc(CN2CC[N@@H+](CC(C)(C)C)C[C@@H]2CCO)c(F)c1 ZINC000023374760 202103186 /nfs/dbraw/zinc/10/31/86/202103186.db2.gz GFNDLQUQTWTREO-INIZCTEOSA-N 1 1 338.467 2.749 50 0 EFAAMO [NH3+][C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000035052107 202285525 /nfs/dbraw/zinc/28/55/25/202285525.db2.gz DHQUQYYPAWHGAR-KRWDZBQOSA-N 1 1 327.380 2.581 50 0 EFAAMO O=C(CC[N@H+]1CCC[C@H](c2cc[nH]n2)C1)NCc1ccccc1Cl ZINC000072270772 202359846 /nfs/dbraw/zinc/35/98/46/202359846.db2.gz IZQPDBMAHNXKNC-HNNXBMFYSA-N 1 1 346.862 2.949 50 0 EFAAMO O=C(CC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1)NCc1ccccc1Cl ZINC000072270772 202359851 /nfs/dbraw/zinc/35/98/51/202359851.db2.gz IZQPDBMAHNXKNC-HNNXBMFYSA-N 1 1 346.862 2.949 50 0 EFAAMO O=C(CC[N@H+]1CCC[C@H](c2ccn[nH]2)C1)NCc1ccccc1Cl ZINC000072270772 202359855 /nfs/dbraw/zinc/35/98/55/202359855.db2.gz IZQPDBMAHNXKNC-HNNXBMFYSA-N 1 1 346.862 2.949 50 0 EFAAMO O=C(C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)NC1(c2ccccc2)CCC1 ZINC000072270732 202360209 /nfs/dbraw/zinc/36/02/09/202360209.db2.gz WMIHIYWDVWFZQF-INIZCTEOSA-N 1 1 338.455 2.785 50 0 EFAAMO O=C(C[N@H+]1CCC[C@H](c2cc[nH]n2)C1)NC1(c2ccccc2)CCC1 ZINC000072270732 202360211 /nfs/dbraw/zinc/36/02/11/202360211.db2.gz WMIHIYWDVWFZQF-INIZCTEOSA-N 1 1 338.455 2.785 50 0 EFAAMO O[C@]1(CNCCc2ccccc2Oc2ccccc2)CCC[NH2+]C1 ZINC000072432837 216226967 /nfs/dbraw/zinc/22/69/67/216226967.db2.gz AUMQATMZBXYENX-HXUWFJFHSA-N 1 1 326.440 2.726 50 0 EFAAMO Cc1ccc([C@@H]2C[N@H+](C3CCN(C)CC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072478419 216256388 /nfs/dbraw/zinc/25/63/88/216256388.db2.gz SNLYTXFSEDTKAD-BHDDXSALSA-N 1 1 339.527 2.951 50 0 EFAAMO C[NH+]1CCN(C(=O)N2CCCC[C@@H]2CCc2cccc(O)c2)CC1 ZINC000072478648 216257093 /nfs/dbraw/zinc/25/70/93/216257093.db2.gz PEGGHEIQNWLEFN-QGZVFWFLSA-N 1 1 331.460 2.547 50 0 EFAAMO O[C@H](C[N@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccc(F)c(F)c1 ZINC000222199830 201033667 /nfs/dbraw/zinc/03/36/67/201033667.db2.gz GFEUQYIYJZZJDC-SUMWQHHRSA-N 1 1 333.382 2.827 50 0 EFAAMO COc1c(CNC2CC[NH+](Cc3ccc(F)cc3)CC2)c(C)nn1C ZINC000058343014 201140895 /nfs/dbraw/zinc/14/08/95/201140895.db2.gz MMXRTALSPZBLOQ-UHFFFAOYSA-N 1 1 346.450 2.630 50 0 EFAAMO CC(C)(C)c1cnc(C[NH+]2CCC(c3ccnn3CCO)CC2)o1 ZINC000058292636 201141113 /nfs/dbraw/zinc/14/11/13/201141113.db2.gz NDIQWUNTYTVZAU-UHFFFAOYSA-N 1 1 332.448 2.541 50 0 EFAAMO COc1c(C[NH2+]Cc2ccc(N3CCCCCC3)nc2)c(C)nn1C ZINC000058393500 201142079 /nfs/dbraw/zinc/14/20/79/201142079.db2.gz PCWNSRMTNDLJTR-UHFFFAOYSA-N 1 1 343.475 2.802 50 0 EFAAMO CCOC(=O)C1CC[NH+](Cc2cc(=O)oc3cc(OC)ccc23)CC1 ZINC000005253928 201362355 /nfs/dbraw/zinc/36/23/55/201362355.db2.gz AEQYXFDOZIMRHR-UHFFFAOYSA-N 1 1 345.395 2.577 50 0 biogenic EFAAMO C[C@]1(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CCCCO1 ZINC000077456905 291349732 /nfs/dbraw/zinc/34/97/32/291349732.db2.gz OHKUNUPYXYREHK-LJQANCHMSA-N 1 1 334.435 2.819 50 0 EFAAMO C[C@]1(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CCCCO1 ZINC000077456905 291349735 /nfs/dbraw/zinc/34/97/35/291349735.db2.gz OHKUNUPYXYREHK-LJQANCHMSA-N 1 1 334.435 2.819 50 0 EFAAMO Cc1ccc(-c2cccc(CN3CCN4CC[N@H+](C)C[C@@H]4C3)c2)o1 ZINC000215026746 241102762 /nfs/dbraw/zinc/10/27/62/241102762.db2.gz OHZWGVCSUJRNBN-LJQANCHMSA-N 1 1 325.456 2.687 50 0 EFAAMO COCCC[N@H+]1CC[C@H](CNC(=O)c2ccc3oc(C)cc3c2)C1 ZINC000215065977 241106281 /nfs/dbraw/zinc/10/62/81/241106281.db2.gz PEVNAXKEUAHAOT-OAHLLOKOSA-N 1 1 330.428 2.829 50 0 EFAAMO Cc1cccnc1C[C@@H](C)[N@@H+](C)Cc1cnc(N2CCOCC2)s1 ZINC000215127345 241107311 /nfs/dbraw/zinc/10/73/11/241107311.db2.gz YCRSESILZAJFIT-OAHLLOKOSA-N 1 1 346.500 2.746 50 0 EFAAMO Fc1ccc(C[N@H+]2CCCN(Cc3cnn4cccnc34)CC2)cc1 ZINC000215216889 241113399 /nfs/dbraw/zinc/11/33/99/241113399.db2.gz NGFXJGUZXAZCSO-UHFFFAOYSA-N 1 1 339.418 2.576 50 0 EFAAMO Fc1ccc(CN2CCC[N@H+](Cc3cnn4cccnc34)CC2)cc1 ZINC000215216889 241113404 /nfs/dbraw/zinc/11/34/04/241113404.db2.gz NGFXJGUZXAZCSO-UHFFFAOYSA-N 1 1 339.418 2.576 50 0 EFAAMO Fc1ccc(CN2CCC[N@@H+](Cc3cnn4cccnc34)CC2)cc1 ZINC000215216889 241113407 /nfs/dbraw/zinc/11/34/07/241113407.db2.gz NGFXJGUZXAZCSO-UHFFFAOYSA-N 1 1 339.418 2.576 50 0 EFAAMO CC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@H](O)c1cccc(O)c1 ZINC000215280175 241117374 /nfs/dbraw/zinc/11/73/74/241117374.db2.gz ORTAYVHEMLOZBM-KRWDZBQOSA-N 1 1 327.384 2.931 50 0 EFAAMO Cc1nc([C@H]2CCC[N@H+](Cc3cnc(-c4ccccn4)nc3)C2)no1 ZINC000215678620 241139656 /nfs/dbraw/zinc/13/96/56/241139656.db2.gz OTTTVSHQMVWJHY-HNNXBMFYSA-N 1 1 336.399 2.610 50 0 EFAAMO Cc1nc([C@H]2CCC[N@@H+](Cc3cnc(-c4ccccn4)nc3)C2)no1 ZINC000215678620 241139661 /nfs/dbraw/zinc/13/96/61/241139661.db2.gz OTTTVSHQMVWJHY-HNNXBMFYSA-N 1 1 336.399 2.610 50 0 EFAAMO Cc1nc2ccc(C)cn2c1C(=O)N1CC([N@@H+]2CCCC[C@H]2C)C1 ZINC000215714543 241140216 /nfs/dbraw/zinc/14/02/16/241140216.db2.gz VJGRTIXUIIMFAS-CQSZACIVSA-N 1 1 326.444 2.650 50 0 EFAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1cc(-n3cccn3)ccc1Cl)C2 ZINC000215727603 241140281 /nfs/dbraw/zinc/14/02/81/241140281.db2.gz REEMSIJEBBFWLO-DZGCQCFKSA-N 1 1 344.846 2.692 50 0 EFAAMO Cc1nc([C@@H]2CCC[N@H+](Cc3cnc(-c4ccccn4)nc3)C2)no1 ZINC000215678574 241140696 /nfs/dbraw/zinc/14/06/96/241140696.db2.gz OTTTVSHQMVWJHY-OAHLLOKOSA-N 1 1 336.399 2.610 50 0 EFAAMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccn4)nc3)C2)no1 ZINC000215678574 241140704 /nfs/dbraw/zinc/14/07/04/241140704.db2.gz OTTTVSHQMVWJHY-OAHLLOKOSA-N 1 1 336.399 2.610 50 0 EFAAMO Cc1cc(C(=O)NCCC[NH+]2CCOCC2)c(-c2ccccc2)o1 ZINC000215724208 241140952 /nfs/dbraw/zinc/14/09/52/241140952.db2.gz ZIEMYJWHBQZHSD-UHFFFAOYSA-N 1 1 328.412 2.707 50 0 EFAAMO Cc1noc(C)c1CN1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000215964151 241157018 /nfs/dbraw/zinc/15/70/18/241157018.db2.gz HIBFJBYKVRKZBY-UHFFFAOYSA-N 1 1 325.456 2.967 50 0 EFAAMO Nc1nccc(C2CC[NH+](Cc3cc4c(cc3Cl)OCO4)CC2)n1 ZINC000216454483 241193993 /nfs/dbraw/zinc/19/39/93/241193993.db2.gz INTWESMEHAWYCP-UHFFFAOYSA-N 1 1 346.818 2.821 50 0 EFAAMO CN1CCN2CC[N@@H+](CC(c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000216469677 241194663 /nfs/dbraw/zinc/19/46/63/241194663.db2.gz VJGQEVQPAUCVFP-NRFANRHFSA-N 1 1 335.495 2.750 50 0 EFAAMO C[N@H+]1CCCC[C@H]1CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000216510653 241197276 /nfs/dbraw/zinc/19/72/76/241197276.db2.gz LSHIYKAOYGTLHI-SFHVURJKSA-N 1 1 349.906 2.859 50 0 EFAAMO C[N@H+](Cc1cccc(OCc2ccccn2)c1)C[C@H]1COCCO1 ZINC000215448938 241124514 /nfs/dbraw/zinc/12/45/14/241124514.db2.gz FIRVUNFEGRTMMI-IBGZPJMESA-N 1 1 328.412 2.508 50 0 EFAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)NCCc1noc(C2CCC2)n1 ZINC000217093669 241235820 /nfs/dbraw/zinc/23/58/20/241235820.db2.gz LQDPJXGFVUAFNS-GFCCVEGCSA-N 1 1 331.420 2.577 50 0 EFAAMO O=C(NCCCc1ncc[nH]1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000219264004 241372314 /nfs/dbraw/zinc/37/23/14/241372314.db2.gz NZKRMTNKMYLXLU-KRWDZBQOSA-N 1 1 326.444 2.513 50 0 EFAAMO Cc1cccc([C@H]2CCCN(C(=O)CCC[NH+]3CCOCC3)C2)c1 ZINC000220616409 241448150 /nfs/dbraw/zinc/44/81/50/241448150.db2.gz CEJAANSCSRFFOZ-IBGZPJMESA-N 1 1 330.472 2.813 50 0 EFAAMO CCOC(=O)c1cnc2nc(-c3ccccc3)nn2c1/C=C/[NH+](C)C ZINC000226073613 242087112 /nfs/dbraw/zinc/08/71/12/242087112.db2.gz JUPXXINLZOTUAB-ZHACJKMWSA-N 1 1 337.383 2.500 50 0 EFAAMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@H]2CCCCO2)c(OC)c1 ZINC000244707794 243062012 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CCC[C@@H]1C[N@@H+](Cc2cnn(-c3cccc(C)c3)c2)C[C@H]1NC(C)=O ZINC000095525833 473219886 /nfs/dbraw/zinc/21/98/86/473219886.db2.gz BHEQUEHDMIQJKF-UYAOXDASSA-N 1 1 340.471 2.917 50 0 EFAAMO CCCOC[C@H]1CC[N@H+](C2CCN(c3nc(C)cc(C)n3)CC2)C1 ZINC000095524898 473220216 /nfs/dbraw/zinc/22/02/16/473220216.db2.gz FYEHERRFFNJONJ-KRWDZBQOSA-N 1 1 332.492 2.811 50 0 EFAAMO CCc1nc(N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)no1 ZINC000095527195 473221157 /nfs/dbraw/zinc/22/11/57/473221157.db2.gz DQFFUWMZSZZLJZ-UHFFFAOYSA-N 1 1 338.415 2.656 50 0 EFAAMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(C(=O)Nc2cn(C)nn2)s1 ZINC000082039460 473285625 /nfs/dbraw/zinc/28/56/25/473285625.db2.gz ATTAZWWAEQJZQH-LBPRGKRZSA-N 1 1 333.461 2.922 50 0 EFAAMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(C(=O)Nc2cnn(C)n2)s1 ZINC000082039500 473286352 /nfs/dbraw/zinc/28/63/52/473286352.db2.gz ROENUCBUEMYRSL-GFCCVEGCSA-N 1 1 333.461 2.922 50 0 EFAAMO Cc1cccc(C)c1OC1CN(C(=O)c2ccc(C[NH+](C)C)o2)C1 ZINC000082097470 473287546 /nfs/dbraw/zinc/28/75/46/473287546.db2.gz 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O=C(N[C@@H]1CCC[N@@H+](Cc2ccncc2)CC1)c1ncoc1C1CC1 ZINC000082156350 473297534 /nfs/dbraw/zinc/29/75/34/473297534.db2.gz QDZROZUBYFBQFA-MRXNPFEDSA-N 1 1 340.427 2.732 50 0 EFAAMO Cn1cnnc1CC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000082157226 473297938 /nfs/dbraw/zinc/29/79/38/473297938.db2.gz JAHJQWDDVMPAGX-UHFFFAOYSA-N 1 1 337.427 2.925 50 0 EFAAMO Nc1ccsc1C(=O)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000082157525 473298312 /nfs/dbraw/zinc/29/83/12/473298312.db2.gz WZOHCADFQPPTTE-UHFFFAOYSA-N 1 1 341.480 2.646 50 0 EFAAMO CC(=O)Nc1cccc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000096116492 473305954 /nfs/dbraw/zinc/30/59/54/473305954.db2.gz IOZPLQJAYSLDKV-FUHWJXTLSA-N 1 1 329.444 2.639 50 0 biogenic EFAAMO COCCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc3scnc3c2)C1 ZINC000096140382 473313388 /nfs/dbraw/zinc/31/33/88/473313388.db2.gz LXHIQZJCPRRROK-CYBMUJFWSA-N 1 1 348.472 2.776 50 0 EFAAMO COCc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3C)C2)o1 ZINC000096162478 473320946 /nfs/dbraw/zinc/32/09/46/473320946.db2.gz 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Cc1ccc(CS(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000008896878 471706873 /nfs/dbraw/zinc/70/68/73/471706873.db2.gz QSCGIVAJFNBAGN-INIZCTEOSA-N 1 1 338.498 2.779 50 0 EFAAMO O=C(C[C@@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O)Nc1cccc2ccccc21 ZINC000009225506 471712659 /nfs/dbraw/zinc/71/26/59/471712659.db2.gz XTSQBPYKRQYRGP-KSZLIROESA-N 1 1 337.423 2.568 50 0 EFAAMO Cc1cccc(CS(=O)(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000010544104 471737792 /nfs/dbraw/zinc/73/77/92/471737792.db2.gz MQDBBNVZCOLONI-CALCHBBNSA-N 1 1 338.517 2.782 50 0 EFAAMO CN1CCC([N@@H+]2CCC[C@@H](NC(=O)c3ccccc3Cl)C2)CC1 ZINC000011661395 471756250 /nfs/dbraw/zinc/75/62/50/471756250.db2.gz AFJWELJCVSMKQZ-CQSZACIVSA-N 1 1 335.879 2.628 50 0 EFAAMO CN1CCC([N@H+]2CCC[C@@H](NC(=O)c3ccccc3Cl)C2)CC1 ZINC000011661395 471756252 /nfs/dbraw/zinc/75/62/52/471756252.db2.gz AFJWELJCVSMKQZ-CQSZACIVSA-N 1 1 335.879 2.628 50 0 EFAAMO Cc1cc(=O)oc2cc(OC[C@H](O)C[N@@H+]3CCC[C@@H](C)C3)ccc12 ZINC000011666622 471756813 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O=S1(=O)CC[C@@H]([NH2+]Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC000011914600 471761619 /nfs/dbraw/zinc/76/16/19/471761619.db2.gz KHAYKTBMQXCZQT-CYBMUJFWSA-N 1 1 325.817 2.877 50 0 EFAAMO Cc1ccc(C)c(OCc2cc(C(=O)N(C)[C@@H]3CC[N@@H+](C)C3)no2)c1 ZINC000012000110 471762901 /nfs/dbraw/zinc/76/29/01/471762901.db2.gz KRHTYEPLNCIZGQ-OAHLLOKOSA-N 1 1 343.427 2.647 50 0 EFAAMO O=C(NC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1)c1ccco1 ZINC000012197151 471768326 /nfs/dbraw/zinc/76/83/26/471768326.db2.gz XJJBGWSLMBARDZ-AWEZNQCLSA-N 1 1 328.368 2.575 50 0 EFAAMO COC(=O)c1ccc(-c2nc(C[N@H+](C)[C@H]3CCOC3)c(C)o2)cc1 ZINC000012432913 471775169 /nfs/dbraw/zinc/77/51/69/471775169.db2.gz SPMIPPMQGPQAGR-HNNXBMFYSA-N 1 1 330.384 2.657 50 0 EFAAMO COC(=O)c1ccc(-c2nc(C[N@@H+](C)[C@H]3CCOC3)c(C)o2)cc1 ZINC000012432913 471775175 /nfs/dbraw/zinc/77/51/75/471775175.db2.gz SPMIPPMQGPQAGR-HNNXBMFYSA-N 1 1 330.384 2.657 50 0 EFAAMO C[N@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)C2CCOCC2)C1 ZINC000012594935 471785202 /nfs/dbraw/zinc/78/52/02/471785202.db2.gz SBCAWARJSFCZSP-IBGZPJMESA-N 1 1 344.499 2.826 50 0 EFAAMO CCc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)on1 ZINC000012715275 471791756 /nfs/dbraw/zinc/79/17/56/471791756.db2.gz CYOLIFBSENDFRB-QGZVFWFLSA-N 1 1 327.428 2.674 50 0 EFAAMO COc1cccc(Nc2nc(N)nc(C[N@@H+]3CCCC[C@@H]3C)n2)c1 ZINC000013639056 471835994 /nfs/dbraw/zinc/83/59/94/471835994.db2.gz VEVPIZVCWVKVQM-LBPRGKRZSA-N 1 1 328.420 2.580 50 0 EFAAMO COc1cccc(Nc2nc(N)nc(C[N@H+]3CCCC[C@@H]3C)n2)c1 ZINC000013639056 471836000 /nfs/dbraw/zinc/83/60/00/471836000.db2.gz VEVPIZVCWVKVQM-LBPRGKRZSA-N 1 1 328.420 2.580 50 0 EFAAMO COc1cccc(Nc2nc(N)nc(C[N@@H+]3CCCC[C@H]3C)n2)c1 ZINC000013639059 471836594 /nfs/dbraw/zinc/83/65/94/471836594.db2.gz VEVPIZVCWVKVQM-GFCCVEGCSA-N 1 1 328.420 2.580 50 0 EFAAMO COc1cccc(Nc2nc(N)nc(C[N@H+]3CCCC[C@H]3C)n2)c1 ZINC000013639059 471836601 /nfs/dbraw/zinc/83/66/01/471836601.db2.gz VEVPIZVCWVKVQM-GFCCVEGCSA-N 1 1 328.420 2.580 50 0 EFAAMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1ccc(F)cc1 ZINC000013670438 471836849 /nfs/dbraw/zinc/83/68/49/471836849.db2.gz YEPBZVTUARYKSG-KRWDZBQOSA-N 1 1 342.480 2.900 50 0 EFAAMO CC(C)(C)C[N@H+]1CCC[C@H](n2cc(C(=O)NC3CCCC3)nn2)C1 ZINC000014976886 471884159 /nfs/dbraw/zinc/88/41/59/471884159.db2.gz HIONOLBCLJUIIY-HNNXBMFYSA-N 1 1 333.480 2.634 50 0 EFAAMO Cc1ncoc1C(=O)N[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000015069673 471888174 /nfs/dbraw/zinc/88/81/74/471888174.db2.gz ZXGWGHUQCNWLKQ-QGZVFWFLSA-N 1 1 327.428 2.810 50 0 EFAAMO CC(C)Oc1cccc(OCCOCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016489215 471939211 /nfs/dbraw/zinc/93/92/11/471939211.db2.gz LFFLXJAPNPNCPX-CALCHBBNSA-N 1 1 337.460 2.978 50 0 EFAAMO CC(C)Oc1cccc(OCCOCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016489215 471939213 /nfs/dbraw/zinc/93/92/13/471939213.db2.gz LFFLXJAPNPNCPX-CALCHBBNSA-N 1 1 337.460 2.978 50 0 EFAAMO O=C(NC[C@H]1CC[N@H+](C2CCCC2)C1)Nc1ccc2c(c1)OCO2 ZINC000016622117 471943981 /nfs/dbraw/zinc/94/39/81/471943981.db2.gz 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1 1 348.487 2.919 50 0 EFAAMO Cc1ccc([C@@H](C)CC[N@H+]2CC(=O)N(C3CCCCC3)C[C@@H](O)C2)o1 ZINC000039337909 472023175 /nfs/dbraw/zinc/02/31/75/472023175.db2.gz XWIKXERSJXTEMI-YJBOKZPZSA-N 1 1 348.487 2.919 50 0 EFAAMO Cc1ccc([C@@H](C)CC[N@@H+]2CC(=O)N(C3CCCCC3)C[C@@H](O)C2)o1 ZINC000039337909 472023179 /nfs/dbraw/zinc/02/31/79/472023179.db2.gz XWIKXERSJXTEMI-YJBOKZPZSA-N 1 1 348.487 2.919 50 0 EFAAMO CCOc1cccc(CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)c1 ZINC000039363071 472023541 /nfs/dbraw/zinc/02/35/41/472023541.db2.gz CLJFVVIZCSBXGI-LJQANCHMSA-N 1 1 332.488 2.897 50 0 EFAAMO CC(C)=CC[N@H+]1CCN(Cc2c(C)nc3sccn23)C[C@H]1CCO ZINC000039490357 472024094 /nfs/dbraw/zinc/02/40/94/472024094.db2.gz PVMKWYZVTWMGAW-MRXNPFEDSA-N 1 1 348.516 2.539 50 0 EFAAMO Cc1ccc(CN2CC[N@@H+](CCc3ccccc3)[C@H](CCO)C2)o1 ZINC000039508499 472024382 /nfs/dbraw/zinc/02/43/82/472024382.db2.gz WSFMVVVSQFFJDG-LJQANCHMSA-N 1 1 328.456 2.699 50 0 EFAAMO Cc1nc2sccn2c1CN1CC[N@@H+](C2CCCC2)[C@H](CCO)C1 ZINC000039552348 472025567 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C[N@@H+](CCCOc1ccc(Cl)cc1)CC[C@H]1CCS(=O)(=O)C1 ZINC000677677632 548746278 /nfs/dbraw/zinc/74/62/78/548746278.db2.gz BOOCLXZUFIYXQZ-AWEZNQCLSA-N 1 1 345.892 2.866 50 0 EFAAMO COc1cncc(C[N@@H+]2C[C@H](c3nnc(C4CC4)[nH]3)[C@@H](C3CC3)C2)c1 ZINC000685943451 550197516 /nfs/dbraw/zinc/19/75/16/550197516.db2.gz WZKXFSLADKLVGH-SJORKVTESA-N 1 1 339.443 2.711 50 0 EFAAMO COc1cncc(C[N@H+]2C[C@H](c3nc(C4CC4)n[nH]3)[C@@H](C3CC3)C2)c1 ZINC000685943451 550197519 /nfs/dbraw/zinc/19/75/19/550197519.db2.gz WZKXFSLADKLVGH-SJORKVTESA-N 1 1 339.443 2.711 50 0 EFAAMO COc1cncc(C[N@@H+]2C[C@H](c3nc(C4CC4)n[nH]3)[C@@H](C3CC3)C2)c1 ZINC000685943451 550197521 /nfs/dbraw/zinc/19/75/21/550197521.db2.gz WZKXFSLADKLVGH-SJORKVTESA-N 1 1 339.443 2.711 50 0 EFAAMO Cc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC000169751706 564099986 /nfs/dbraw/zinc/09/99/86/564099986.db2.gz FJEDWLRVSJFIFG-INIZCTEOSA-N 1 1 327.428 2.913 50 0 EFAAMO Cc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC000169751706 564099987 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JYCVJCKBXFBJCG-HXUWFJFHSA-N 1 1 346.515 2.905 50 0 EFAAMO CN(CCC1(O)CCCC1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000244700999 243061112 /nfs/dbraw/zinc/06/11/12/243061112.db2.gz JYCVJCKBXFBJCG-HXUWFJFHSA-N 1 1 346.515 2.905 50 0 EFAAMO CN(CCC1(O)CCCC1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000244700999 243061117 /nfs/dbraw/zinc/06/11/17/243061117.db2.gz JYCVJCKBXFBJCG-HXUWFJFHSA-N 1 1 346.515 2.905 50 0 EFAAMO Cc1ccc(-c2nc(CN(C)CCCc3[nH+]ccn3C)no2)cc1 ZINC000244701274 243061451 /nfs/dbraw/zinc/06/14/51/243061451.db2.gz KDGCRCVAETZWNG-UHFFFAOYSA-N 1 1 325.416 2.843 50 0 EFAAMO COCC[C@H]1C[N@H+](Cc2ccc3c4c2cccc4C(=O)OC3)CCO1 ZINC000244594121 243040794 /nfs/dbraw/zinc/04/07/94/243040794.db2.gz DGTHZSKDAICBFP-INIZCTEOSA-N 1 1 341.407 2.748 50 0 EFAAMO COCC[C@H]1C[N@@H+](Cc2ccc3c4c2cccc4C(=O)OC3)CCO1 ZINC000244594121 243040799 /nfs/dbraw/zinc/04/07/99/243040799.db2.gz DGTHZSKDAICBFP-INIZCTEOSA-N 1 1 341.407 2.748 50 0 EFAAMO CC(C)n1cccc1C(=O)N[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000244601791 243041269 /nfs/dbraw/zinc/04/12/69/243041269.db2.gz DRVPFAVQNIUGAS-KRWDZBQOSA-N 1 1 326.444 2.858 50 0 EFAAMO CC(C)n1cccc1C(=O)N[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000244601791 243041276 /nfs/dbraw/zinc/04/12/76/243041276.db2.gz DRVPFAVQNIUGAS-KRWDZBQOSA-N 1 1 326.444 2.858 50 0 EFAAMO CN1CCN(C(=O)C[N@H+]2CCCCC[C@H]2c2cccc(F)c2)CC1 ZINC000244620024 243044584 /nfs/dbraw/zinc/04/45/84/243044584.db2.gz FKMHGSYVVNNIQY-SFHVURJKSA-N 1 1 333.451 2.517 50 0 EFAAMO O=C(CC[N@@H+]1CC[C@@](O)(c2ccccc2)C1)NC1CCCCCC1 ZINC000244605540 243045217 /nfs/dbraw/zinc/04/52/17/243045217.db2.gz FAMMQLWDOMRRHH-FQEVSTJZSA-N 1 1 330.472 2.809 50 0 EFAAMO CN1CCN(C(=O)C[N@H+]2CCCCC[C@@H]2c2cccc(F)c2)CC1 ZINC000244620023 243045314 /nfs/dbraw/zinc/04/53/14/243045314.db2.gz FKMHGSYVVNNIQY-GOSISDBHSA-N 1 1 333.451 2.517 50 0 EFAAMO C[NH+](C)[C@@H]1CCCN(CCC(=O)NCc2cccc(Cl)c2)CC1 ZINC000244659882 243052659 /nfs/dbraw/zinc/05/26/59/243052659.db2.gz HKKLJAHJVKUSHS-QGZVFWFLSA-N 1 1 337.895 2.762 50 0 EFAAMO O[C@@H]1C[N@@H+](CCCc2ccco2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000244690939 243056757 /nfs/dbraw/zinc/05/67/57/243056757.db2.gz IZTWQZCKTINKAK-DLBZAZTESA-N 1 1 329.396 2.791 50 0 EFAAMO C[N@H+](Cc1cnc2ccccc2c1)Cc1cc(=O)n2cccc(O)c2n1 ZINC000244882832 243097443 /nfs/dbraw/zinc/09/74/43/243097443.db2.gz YAAGYWJGFGQOBN-UHFFFAOYSA-N 1 1 346.390 2.580 50 0 EFAAMO C[N@@H+](Cc1cnc2ccccc2c1)Cc1cc(=O)n2cccc(O)c2n1 ZINC000244882832 243097448 /nfs/dbraw/zinc/09/74/48/243097448.db2.gz YAAGYWJGFGQOBN-UHFFFAOYSA-N 1 1 346.390 2.580 50 0 EFAAMO COCCc1noc(C[N@@H+]2CCCC[C@H]2CCc2ccccn2)n1 ZINC000244887894 243099336 /nfs/dbraw/zinc/09/93/36/243099336.db2.gz YQECSGLQKFBTQO-INIZCTEOSA-N 1 1 330.432 2.641 50 0 EFAAMO COCCc1noc(C[N@H+]2CCCC[C@H]2CCc2ccccn2)n1 ZINC000244887894 243099340 /nfs/dbraw/zinc/09/93/40/243099340.db2.gz YQECSGLQKFBTQO-INIZCTEOSA-N 1 1 330.432 2.641 50 0 EFAAMO Cc1ccc2nccc(C(=O)NCCC[N@H+]3CCCC[C@H]3CO)c2c1 ZINC000244742058 243072014 /nfs/dbraw/zinc/07/20/14/243072014.db2.gz OBFRIKSFPKRPAI-INIZCTEOSA-N 1 1 341.455 2.510 50 0 EFAAMO CC(C)Oc1cccc(OCCOCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000020653139 212159903 /nfs/dbraw/zinc/15/99/03/212159903.db2.gz LFFLXJAPNPNCPX-IAGOWNOFSA-N 1 1 337.460 2.978 50 0 EFAAMO COc1ccc([C@@H](CC(=O)N2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000020601468 212151735 /nfs/dbraw/zinc/15/17/35/212151735.db2.gz ISYYUBGRJBZIEC-FQEVSTJZSA-N 1 1 338.451 2.991 50 0 EFAAMO COc1ccc(CN2CC[N@H+](C3CCC3)C[C@@H]2CCO)c(C)c1C ZINC000020598871 212150682 /nfs/dbraw/zinc/15/06/82/212150682.db2.gz XDPHBKOALKJHGT-IBGZPJMESA-N 1 1 332.488 2.733 50 0 EFAAMO COc1ccc(C[N@@H+]2CCN(C3CCC3)C[C@@H]2CCO)c(C)c1C ZINC000020598871 212150684 /nfs/dbraw/zinc/15/06/84/212150684.db2.gz XDPHBKOALKJHGT-IBGZPJMESA-N 1 1 332.488 2.733 50 0 EFAAMO COc1ccc(C[N@H+]2CCN(C3CCC3)C[C@@H]2CCO)c(C)c1C ZINC000020598871 212150687 /nfs/dbraw/zinc/15/06/87/212150687.db2.gz XDPHBKOALKJHGT-IBGZPJMESA-N 1 1 332.488 2.733 50 0 EFAAMO CC(=O)c1cccc(CN2CC[N@H+](CCC(C)C)[C@@H](CCO)C2)c1 ZINC000020542136 212145382 /nfs/dbraw/zinc/14/53/82/212145382.db2.gz IBWQLOBZOAWKNQ-FQEVSTJZSA-N 1 1 332.488 2.804 50 0 EFAAMO COCc1ccc(CN2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)o1 ZINC000020514331 212142810 /nfs/dbraw/zinc/14/28/10/212142810.db2.gz PKCZISMXKBUIQN-KRWDZBQOSA-N 1 1 336.476 2.627 50 0 EFAAMO OCC[C@@H]1C[N@H+](Cc2ccc(O)cc2)CCN1Cc1ccccc1F ZINC000020452121 212130561 /nfs/dbraw/zinc/13/05/61/212130561.db2.gz JPHGAGROYYVGLI-GOSISDBHSA-N 1 1 344.430 2.600 50 0 EFAAMO OCC[C@@H]1C[N@@H+](Cc2ccc(O)cc2)CCN1Cc1ccccc1F ZINC000020452121 212130564 /nfs/dbraw/zinc/13/05/64/212130564.db2.gz JPHGAGROYYVGLI-GOSISDBHSA-N 1 1 344.430 2.600 50 0 EFAAMO C(=C/c1ccccc1)\C[NH+]1CCN(Cn2nnc3ccccc32)CC1 ZINC000020432525 212128519 /nfs/dbraw/zinc/12/85/19/212128519.db2.gz YUFBJFHNKTXIRY-RMKNXTFCSA-N 1 1 333.439 2.720 50 0 EFAAMO c1cnn(Cc2cnc(N3CC[NH+](Cc4ccccc4)CC3)s2)c1 ZINC000020405056 212125907 /nfs/dbraw/zinc/12/59/07/212125907.db2.gz CBXBGFOIBKRQCJ-UHFFFAOYSA-N 1 1 339.468 2.710 50 0 EFAAMO Cc1ccc(C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1 ZINC000020367158 212123678 /nfs/dbraw/zinc/12/36/78/212123678.db2.gz FJDWUSAARMBRMK-UHFFFAOYSA-N 1 1 342.414 2.857 50 0 EFAAMO COc1ccc(C[NH+]2CCC(N3C[C@@H](C)O[C@H](C)C3)CC2)cc1OC ZINC000020291842 212116976 /nfs/dbraw/zinc/11/69/76/212116976.db2.gz YODNBRNXOMARSA-HZPDHXFCSA-N 1 1 348.487 2.777 50 0 EFAAMO CC(C)C[N@H+]1CCN(Cc2ccc3cc(F)ccc3n2)C[C@@H]1CCO ZINC000020203602 212111242 /nfs/dbraw/zinc/11/12/42/212111242.db2.gz OEMNORAJYIFWQC-IBGZPJMESA-N 1 1 345.462 2.899 50 0 EFAAMO Cc1cc(=O)oc2cc(OCCSCC[NH+]3CCOCC3)ccc12 ZINC000020132981 212104461 /nfs/dbraw/zinc/10/44/61/212104461.db2.gz ORIMNNAZBXAPLP-UHFFFAOYSA-N 1 1 349.452 2.546 50 0 biogenic EFAAMO Cc1ccccc1CNC(=O)C[N@H+]1CCCC[C@H]1CCn1cccn1 ZINC000077391671 216892356 /nfs/dbraw/zinc/89/23/56/216892356.db2.gz PRBOYQODQVQCLC-IBGZPJMESA-N 1 1 340.471 2.753 50 0 EFAAMO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000019900305 212080984 /nfs/dbraw/zinc/08/09/84/212080984.db2.gz LDQJZSLRTTYGLX-CYBMUJFWSA-N 1 1 342.892 2.659 50 0 EFAAMO Cc1ccccc1OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000019902142 212080988 /nfs/dbraw/zinc/08/09/88/212080988.db2.gz WOVOBYKTUCWSTK-UHFFFAOYSA-N 1 1 346.471 2.525 50 0 EFAAMO C[C@H]1CCC[N@@H+](CCC(=O)N(C)Cc2cccc(-n3cccn3)c2)C1 ZINC000019837667 212074382 /nfs/dbraw/zinc/07/43/82/212074382.db2.gz ZWBSTPVRUBWSGO-KRWDZBQOSA-N 1 1 340.471 2.953 50 0 EFAAMO C[NH+]1CCN(CCCCOc2ccc(Br)cc2)CC1 ZINC000019791201 212068097 /nfs/dbraw/zinc/06/80/97/212068097.db2.gz KVFMJTVBRNAMBH-UHFFFAOYSA-N 1 1 327.266 2.856 50 0 EFAAMO OCC[C@@H]1CN(Cc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000019790870 212067550 /nfs/dbraw/zinc/06/75/50/212067550.db2.gz OPHSZOGWZKRANY-LJQANCHMSA-N 1 1 328.431 2.895 50 0 EFAAMO CCc1ccc(C[NH+]2CCN(C(=O)COc3ccccc3)CC2)cc1 ZINC000019787630 212066794 /nfs/dbraw/zinc/06/67/94/212066794.db2.gz CGKSDTAJJQSLEN-UHFFFAOYSA-N 1 1 338.451 2.972 50 0 EFAAMO COc1ccccc1CN1CC[N@@H+](Cc2cccs2)[C@@H](CCO)C1 ZINC000019771414 212063461 /nfs/dbraw/zinc/06/34/61/212063461.db2.gz ZROCGUGVUSBMIB-KRWDZBQOSA-N 1 1 346.496 2.826 50 0 EFAAMO O=C(NCCC[NH+]1CCOCC1)Nc1ccc(Cl)c(Cl)c1 ZINC000019681767 212054671 /nfs/dbraw/zinc/05/46/71/212054671.db2.gz VJYGBFZSFOEKNA-UHFFFAOYSA-N 1 1 332.231 2.837 50 0 EFAAMO C[C@@H]1CCc2sc3ncnc(NCCC[NH+]4CCOCC4)c3c2C1 ZINC000019682066 212054523 /nfs/dbraw/zinc/05/45/23/212054523.db2.gz SSGUCGMTSISLFR-CYBMUJFWSA-N 1 1 346.500 2.950 50 0 EFAAMO COc1cccc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019365160 212020852 /nfs/dbraw/zinc/02/08/52/212020852.db2.gz HIOVFUOGTLZEDY-UHFFFAOYSA-N 1 1 340.423 2.742 50 0 biogenic EFAAMO c1c[nH]c(C[N@H+]2CCC[C@H](Cn3cc(C4CCCCC4)nn3)C2)n1 ZINC000019145466 212001819 /nfs/dbraw/zinc/00/18/19/212001819.db2.gz CELDYGKDIZDARN-HNNXBMFYSA-N 1 1 328.464 2.961 50 0 EFAAMO c1c[nH]c(C[N@@H+]2CCC[C@H](Cn3cc(C4CCCCC4)nn3)C2)n1 ZINC000019145466 212001823 /nfs/dbraw/zinc/00/18/23/212001823.db2.gz CELDYGKDIZDARN-HNNXBMFYSA-N 1 1 328.464 2.961 50 0 EFAAMO Cc1cnccc1CN(C)C(=O)NCCCn1cc[nH+]c1C(C)C ZINC000426403464 247275901 /nfs/dbraw/zinc/27/59/01/247275901.db2.gz FRIJYQLVGOWSBT-UHFFFAOYSA-N 1 1 329.448 2.942 50 0 EFAAMO COc1cc(OC)nc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)n1 ZINC000426477443 247284975 /nfs/dbraw/zinc/28/49/75/247284975.db2.gz TVBMARBOFHNCFD-ZDUSSCGKSA-N 1 1 329.400 2.554 50 0 EFAAMO CO[C@]12CC[N@@H+](Cc3ccc(OC(F)F)cc3)[C@H]1C[C@H](O)CC2 ZINC000426563077 247291777 /nfs/dbraw/zinc/29/17/77/247291777.db2.gz AYWWTEIEODSLGX-UKPHBRMFSA-N 1 1 327.371 2.792 50 0 EFAAMO CO[C@]12CC[N@@H+](Cc3cnn(C)c3C)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426379739 247270595 /nfs/dbraw/zinc/27/05/95/247270595.db2.gz NEVOJUDQVKTIKV-GBESFXJTSA-N 1 1 333.476 2.667 50 0 EFAAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)c(OC)c1 ZINC000012475827 211392154 /nfs/dbraw/zinc/39/21/54/211392154.db2.gz KCENNSCNUMLSAJ-OAHLLOKOSA-N 1 1 343.427 2.532 50 0 EFAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)c(OC)c1 ZINC000012475827 211392158 /nfs/dbraw/zinc/39/21/58/211392158.db2.gz KCENNSCNUMLSAJ-OAHLLOKOSA-N 1 1 343.427 2.532 50 0 EFAAMO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](Cc2cn(C)nc2C)C1 ZINC000012455026 211387442 /nfs/dbraw/zinc/38/74/42/211387442.db2.gz GBBWOFXNIPLQPJ-AWEZNQCLSA-N 1 1 345.418 2.971 50 0 EFAAMO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@@H+](Cc2cn(C)nc2C)C1 ZINC000012455026 211387445 /nfs/dbraw/zinc/38/74/45/211387445.db2.gz GBBWOFXNIPLQPJ-AWEZNQCLSA-N 1 1 345.418 2.971 50 0 EFAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccncc2)C1)c1ccc(F)cc1 ZINC000012448775 211387188 /nfs/dbraw/zinc/38/71/88/211387188.db2.gz KUJCSMNDMFWZFZ-MRXNPFEDSA-N 1 1 327.403 2.863 50 0 EFAAMO COCCN1CCC[C@@]2(CC[N@@H+](Cc3ccccc3Cl)C2)C1=O ZINC000012443111 211384797 /nfs/dbraw/zinc/38/47/97/211384797.db2.gz WITOTSNCCXCZML-SFHVURJKSA-N 1 1 336.863 2.801 50 0 EFAAMO COc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)NC3CC3)C2)cc1OC ZINC000012440582 211382791 /nfs/dbraw/zinc/38/27/91/211382791.db2.gz PNPNKQHUUSAIRM-HNNXBMFYSA-N 1 1 346.471 2.975 50 0 EFAAMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COCCOc2ccc(Cl)cc2)C1 ZINC000012377671 211360694 /nfs/dbraw/zinc/36/06/94/211360694.db2.gz MYBQEMJOUOSTPB-GDBMZVCRSA-N 1 1 327.852 2.828 50 0 EFAAMO O=C(CCc1ccccn1)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012307537 211342253 /nfs/dbraw/zinc/34/22/53/211342253.db2.gz XBFWRTNPEDWDPU-HXUWFJFHSA-N 1 1 337.467 2.838 50 0 EFAAMO O=C(CCc1ccccn1)N[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012307538 211342305 /nfs/dbraw/zinc/34/23/05/211342305.db2.gz XBFWRTNPEDWDPU-FQEVSTJZSA-N 1 1 337.467 2.838 50 0 EFAAMO Cn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccn3)C2)c2ccccc21 ZINC000012304318 211339031 /nfs/dbraw/zinc/33/90/31/211339031.db2.gz ONNZNRGLWLILOU-QGZVFWFLSA-N 1 1 348.450 2.968 50 0 EFAAMO Cn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccn3)C2)c2ccccc21 ZINC000012304318 211339033 /nfs/dbraw/zinc/33/90/33/211339033.db2.gz ONNZNRGLWLILOU-QGZVFWFLSA-N 1 1 348.450 2.968 50 0 EFAAMO CCC(CC)C[N@H+]1CCC[C@H](n2cc(C(=O)N(CC)CC)nn2)C1 ZINC000012149171 211307818 /nfs/dbraw/zinc/30/78/18/211307818.db2.gz BDKWQFJHQBCLEP-INIZCTEOSA-N 1 1 335.496 2.833 50 0 EFAAMO CCC(CC)C[N@H+]1CCC[C@@H](n2cc(C(=O)N(CC)CC)nn2)C1 ZINC000012149170 211307898 /nfs/dbraw/zinc/30/78/98/211307898.db2.gz BDKWQFJHQBCLEP-MRXNPFEDSA-N 1 1 335.496 2.833 50 0 EFAAMO COc1ccccc1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000012072598 211286633 /nfs/dbraw/zinc/28/66/33/211286633.db2.gz AEKPBAISPHYVJD-OAQYLSRUSA-N 1 1 342.483 2.962 50 0 EFAAMO COCC(=O)NC[C@@H](C)Oc1ccc(C[N@@H+](C)C2CCCCC2)cc1 ZINC000011881648 211264173 /nfs/dbraw/zinc/26/41/73/211264173.db2.gz VFBHOXASFDKWMM-MRXNPFEDSA-N 1 1 348.487 2.981 50 0 EFAAMO COCC(=O)NC[C@H](C)Oc1ccc(C[N@@H+](C)C2CCCCC2)cc1 ZINC000011881649 211264009 /nfs/dbraw/zinc/26/40/09/211264009.db2.gz VFBHOXASFDKWMM-INIZCTEOSA-N 1 1 348.487 2.981 50 0 EFAAMO Cc1ccc(CN(C)C(=O)c2cc(Cn3cc[nH+]c3C(C)C)n[nH]2)o1 ZINC000011936743 211272231 /nfs/dbraw/zinc/27/22/31/211272231.db2.gz GIDHNWYGAXSXIJ-UHFFFAOYSA-N 1 1 341.415 2.952 50 0 EFAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000011938083 211271554 /nfs/dbraw/zinc/27/15/54/211271554.db2.gz AKWFUXBZJPDAGM-LJQANCHMSA-N 1 1 347.422 2.870 50 0 EFAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@H+]1Cc1cccnc1 ZINC000011938083 211271560 /nfs/dbraw/zinc/27/15/60/211271560.db2.gz AKWFUXBZJPDAGM-LJQANCHMSA-N 1 1 347.422 2.870 50 0 EFAAMO Nc1ncccc1CN1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000091474032 218010720 /nfs/dbraw/zinc/01/07/20/218010720.db2.gz JLSABERPGIFSCH-OXQOHEQNSA-N 1 1 348.494 2.727 50 0 EFAAMO CC(C)N1CCC[C@@]2(CC[N@@H+](Cc3nc(-c4ccco4)no3)C2)C1=O ZINC000091486980 218013454 /nfs/dbraw/zinc/01/34/54/218013454.db2.gz ZENRRGMRVGMSAJ-SFHVURJKSA-N 1 1 344.415 2.553 50 0 EFAAMO COCCn1cc[nH+]c1[C@H]1CCCN(c2cnc3ccccc3n2)C1 ZINC000091493354 218014095 /nfs/dbraw/zinc/01/40/95/218014095.db2.gz TZHBJDXCLIQQKT-HNNXBMFYSA-N 1 1 337.427 2.857 50 0 EFAAMO Cc1nonc1C[N@@H+]1CCC[C@](C)(Cc2ccc3c(c2)OCO3)C1 ZINC000091621180 218033524 /nfs/dbraw/zinc/03/35/24/218033524.db2.gz JMRVUPSLANUQNJ-GOSISDBHSA-N 1 1 329.400 2.952 50 0 EFAAMO Cc1nonc1C[N@H+]1CCC[C@](C)(Cc2ccc3c(c2)OCO3)C1 ZINC000091621180 218033527 /nfs/dbraw/zinc/03/35/27/218033527.db2.gz JMRVUPSLANUQNJ-GOSISDBHSA-N 1 1 329.400 2.952 50 0 EFAAMO COCCN1CCC[C@]2(CC[N@@H+](Cc3ccc(C)c(C)c3)C2)C1=O ZINC000011879452 211262619 /nfs/dbraw/zinc/26/26/19/211262619.db2.gz OWNRPURDFSSVPP-HXUWFJFHSA-N 1 1 330.472 2.764 50 0 EFAAMO CCc1noc(C[N@H+]2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)n1 ZINC000091526305 218017447 /nfs/dbraw/zinc/01/74/47/218017447.db2.gz OZSKSKSZHSDTQX-LJQANCHMSA-N 1 1 346.475 2.779 50 0 EFAAMO CC(C)C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccoc1)CC2 ZINC000091526744 218017686 /nfs/dbraw/zinc/01/76/86/218017686.db2.gz MSHVTLIWTPUXHL-UHFFFAOYSA-N 1 1 342.443 2.648 50 0 EFAAMO CSC[C@@H]1CCC[N@@H+](Cc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)C1 ZINC000091547812 218020106 /nfs/dbraw/zinc/02/01/06/218020106.db2.gz CYBHJWBJXVIYJA-GFCCVEGCSA-N 1 1 345.468 2.614 50 0 EFAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(CC[NH3+])c2)C[C@H]1C(=O)[O-] ZINC000091596136 218029118 /nfs/dbraw/zinc/02/91/18/218029118.db2.gz WEYDTDNDWJYROD-VQTJNVASSA-N 1 1 338.451 2.796 50 0 EFAAMO CN(C(=O)C1CCOCC1)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000011840657 211254316 /nfs/dbraw/zinc/25/43/16/211254316.db2.gz PVRTVPJXZLXPKQ-HXUWFJFHSA-N 1 1 344.499 2.969 50 0 EFAAMO CC(C)n1ccnc1C[N@H+]1CC[C@]2(C1)CCCN(CC1CC1)C2=O ZINC000091679432 218046625 /nfs/dbraw/zinc/04/66/25/218046625.db2.gz QWVQLDZAWFVDQB-IBGZPJMESA-N 1 1 330.476 2.689 50 0 EFAAMO O=C(c1ccncc1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccsc2)C1 ZINC000091691478 218048295 /nfs/dbraw/zinc/04/82/95/218048295.db2.gz DEFCXYARYVVRHH-RHSMWYFYSA-N 1 1 327.453 2.880 50 0 EFAAMO CCCCc1nc(NCCN2C[C@]3(CCOC3)CCC2=O)cc(C)[nH+]1 ZINC000091694331 218049379 /nfs/dbraw/zinc/04/93/79/218049379.db2.gz PJZXYAREMZWKQI-LJQANCHMSA-N 1 1 346.475 2.569 50 0 EFAAMO CCCc1cc(C(=O)NCC[N@H+]2CC[C@@H](c3ccccc3C)C2)[nH]n1 ZINC000091707089 218051560 /nfs/dbraw/zinc/05/15/60/218051560.db2.gz IXNXQPZARWHMNH-MRXNPFEDSA-N 1 1 340.471 2.890 50 0 EFAAMO CN(Cc1cc(-c2ccncc2)no1)C(=O)[C@@H]1CCCCC[N@H+]1C ZINC000091625539 218034794 /nfs/dbraw/zinc/03/47/94/218034794.db2.gz DBGDDDMGVBCFLH-KRWDZBQOSA-N 1 1 328.416 2.569 50 0 EFAAMO CC[C@H]1C[N@H+](CCNC(=O)CC(C)C)Cc2cc(OC)ccc2O1 ZINC000011782460 211248150 /nfs/dbraw/zinc/24/81/50/211248150.db2.gz DYHVHTVUDMBMKJ-INIZCTEOSA-N 1 1 334.460 2.831 50 0 EFAAMO CC[C@H]1C[N@@H+](CCNC(=O)CC(C)C)Cc2cc(OC)ccc2O1 ZINC000011782460 211248154 /nfs/dbraw/zinc/24/81/54/211248154.db2.gz DYHVHTVUDMBMKJ-INIZCTEOSA-N 1 1 334.460 2.831 50 0 EFAAMO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(S(C)(=O)=O)CC2)C1 ZINC000091643720 218037114 /nfs/dbraw/zinc/03/71/14/218037114.db2.gz GNJDPNMXYKDHRG-KRWDZBQOSA-N 1 1 336.501 2.538 50 0 EFAAMO Cc1noc(C[N@H+]2CC[C@]3(C2)CCCN(C2CCCCC2)C3=O)n1 ZINC000091656707 218041474 /nfs/dbraw/zinc/04/14/74/218041474.db2.gz SNAQDUNIBPXHJI-SFHVURJKSA-N 1 1 332.448 2.525 50 0 EFAAMO CCn1cc[nH+]c1C1CCN(Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000091677465 218045219 /nfs/dbraw/zinc/04/52/19/218045219.db2.gz NJQIZHXHYOKMQI-UHFFFAOYSA-N 1 1 347.484 2.686 50 0 EFAAMO CCCc1cc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)no1 ZINC000091819620 218070976 /nfs/dbraw/zinc/07/09/76/218070976.db2.gz DPUYLTLCKYCNKN-HZPDHXFCSA-N 1 1 331.460 2.964 50 0 EFAAMO COC[C@]1(O)CC[N@@H+](Cc2cnn(-c3cccc(C)c3)c2)CC1(C)C ZINC000091746159 218058477 /nfs/dbraw/zinc/05/84/77/218058477.db2.gz FJADMBVAKOGYEC-HXUWFJFHSA-N 1 1 343.471 2.790 50 0 EFAAMO O=C(c1ccc2c(c1)CCC2)N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000091747006 218059366 /nfs/dbraw/zinc/05/93/66/218059366.db2.gz NTJJVJFYMJEDJY-HXUWFJFHSA-N 1 1 342.483 2.892 50 0 EFAAMO CC(C)=CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(OCCO)cc2)C1 ZINC000091781992 218065477 /nfs/dbraw/zinc/06/54/77/218065477.db2.gz RKPKYSMUXVXWNM-FQEVSTJZSA-N 1 1 333.472 2.989 50 0 EFAAMO Cn1c2ccccc2nc1C[N@H+]1CC[C@H](Cc2cccc(C(N)=O)c2)C1 ZINC000091943519 218092012 /nfs/dbraw/zinc/09/20/12/218092012.db2.gz XYVXLCUGBYGDBT-MRXNPFEDSA-N 1 1 348.450 2.737 50 0 EFAAMO CC1(C)C[N@@H+](CCC(=O)NCc2ccc(Cl)cc2)CC[C@]1(C)O ZINC000091942986 218092034 /nfs/dbraw/zinc/09/20/34/218092034.db2.gz FKPXDIBADXYUCU-SFHVURJKSA-N 1 1 338.879 2.829 50 0 EFAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Nc1ccc(SC)cc1)C2 ZINC000091848232 218075486 /nfs/dbraw/zinc/07/54/86/218075486.db2.gz DKYZDEYABIACMT-GDBMZVCRSA-N 1 1 349.500 2.983 50 0 EFAAMO C[NH+](C)[C@@H](C(=O)NCCCc1ccc(O)cc1)c1cccc(F)c1 ZINC000091848845 218077267 /nfs/dbraw/zinc/07/72/67/218077267.db2.gz AUWZVKWZNXKDSU-GOSISDBHSA-N 1 1 330.403 2.883 50 0 EFAAMO OCC[C@H]1C[N@H+](Cc2cccs2)CCN1Cc1ccccc1F ZINC000091974101 218096601 /nfs/dbraw/zinc/09/66/01/218096601.db2.gz RLEHUGSIKMYDKN-INIZCTEOSA-N 1 1 334.460 2.956 50 0 EFAAMO OCC[C@H]1C[N@@H+](Cc2cccs2)CCN1Cc1ccccc1F ZINC000091974101 218096603 /nfs/dbraw/zinc/09/66/03/218096603.db2.gz RLEHUGSIKMYDKN-INIZCTEOSA-N 1 1 334.460 2.956 50 0 EFAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)N1CC(Oc2ccccc2OC)C1 ZINC000092080592 218117558 /nfs/dbraw/zinc/11/75/58/218117558.db2.gz NUAKDFYDBRRXHF-OAHLLOKOSA-N 1 1 332.444 2.549 50 0 EFAAMO COc1ccccc1OCCNC(=O)[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000092061854 218111977 /nfs/dbraw/zinc/11/19/77/218111977.db2.gz QCBLNNWWZDIKPS-GOSISDBHSA-N 1 1 346.402 2.632 50 0 EFAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000010544028 211179729 /nfs/dbraw/zinc/17/97/29/211179729.db2.gz IGWBHYUUBZAHBD-OKILXGFUSA-N 1 1 344.908 2.986 50 0 EFAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCN(Cc2cccs2)CC1 ZINC000095353530 218287379 /nfs/dbraw/zinc/28/73/79/218287379.db2.gz CTLCBMVHFJLVGB-MRXNPFEDSA-N 1 1 335.517 2.657 50 0 EFAAMO Cc1nc(CCNC(=O)[C@H](C)n2cc[nH+]c2C(C)C)nc2c1CCC2 ZINC000095352229 218285471 /nfs/dbraw/zinc/28/54/71/218285471.db2.gz ZQTBAJHCVHMUMZ-AWEZNQCLSA-N 1 1 341.459 2.514 50 0 EFAAMO CC(C)[N@H+]1CCC[C@@H](C(=O)NCCCc2nc3cc(F)ccc3[nH]2)C1 ZINC000095353489 218286626 /nfs/dbraw/zinc/28/66/26/218286626.db2.gz ISBTUSFCESFTFM-CQSZACIVSA-N 1 1 346.450 2.871 50 0 EFAAMO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCCc2nc3ccc(F)cc3[nH]2)C1 ZINC000095353489 218286629 /nfs/dbraw/zinc/28/66/29/218286629.db2.gz ISBTUSFCESFTFM-CQSZACIVSA-N 1 1 346.450 2.871 50 0 EFAAMO CC(C)[N@H+]1CCC[C@@H](C(=O)NCCCc2nc3ccc(F)cc3[nH]2)C1 ZINC000095353489 218286632 /nfs/dbraw/zinc/28/66/32/218286632.db2.gz ISBTUSFCESFTFM-CQSZACIVSA-N 1 1 346.450 2.871 50 0 EFAAMO CCCn1ncc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)c1C ZINC000095352676 218286735 /nfs/dbraw/zinc/28/67/35/218286735.db2.gz KSIDZEZJZJSCJL-QZTJIDSGSA-N 1 1 344.503 2.938 50 0 EFAAMO COc1ccccc1CCNC(=O)[C@@H](c1cccc(C)c1)[NH+](C)C ZINC000095356305 218289818 /nfs/dbraw/zinc/28/98/18/218289818.db2.gz RCWKLTRSEKJUTM-LJQANCHMSA-N 1 1 326.440 2.965 50 0 EFAAMO CCCc1cc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)n(C)n1 ZINC000095358232 218292273 /nfs/dbraw/zinc/29/22/73/218292273.db2.gz JZFCMJGIHOMGCY-SJLPKXTDSA-N 1 1 344.503 2.709 50 0 EFAAMO O=C1[C@H]2CC[C@H](CN(c3[nH+]cnc4[nH]ccc43)C2)N1Cc1ccccc1 ZINC000095368280 218300147 /nfs/dbraw/zinc/30/01/47/218300147.db2.gz OCVCAUVSSJWICX-JKSUJKDBSA-N 1 1 347.422 2.585 50 0 EFAAMO O=C1NCCCc2nc([C@H]3CCC[N@@H+](CCc4ccccc4)C3)[nH]c21 ZINC000095361513 218294420 /nfs/dbraw/zinc/29/44/20/218294420.db2.gz LTVWPQFNGGRMKB-INIZCTEOSA-N 1 1 338.455 2.508 50 0 EFAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1cnn(-c2cccc(F)c2)c1 ZINC000095363037 218294909 /nfs/dbraw/zinc/29/49/09/218294909.db2.gz SIQSLFPBFSISPF-QGZVFWFLSA-N 1 1 344.434 2.892 50 0 EFAAMO Cc1nc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n[nH]1 ZINC000095362171 218295285 /nfs/dbraw/zinc/29/52/85/218295285.db2.gz DRMPEWSIWXKWJJ-CYBMUJFWSA-N 1 1 327.432 2.590 50 0 EFAAMO Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H]1c1nc(C(C)C)no1 ZINC000095363477 218296500 /nfs/dbraw/zinc/29/65/00/218296500.db2.gz IDLQJNXYEFMNRJ-CQSZACIVSA-N 1 1 331.420 2.842 50 0 EFAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1nc(-c2ccccc2F)no1 ZINC000095364357 218297306 /nfs/dbraw/zinc/29/73/06/218297306.db2.gz MABNGYOZZMNBGX-ZDUSSCGKSA-N 1 1 346.406 2.756 50 0 EFAAMO CCCCSc1nc(N)cc(NCC2CCN(C(C)=O)CC2)[nH+]1 ZINC000095363564 218297368 /nfs/dbraw/zinc/29/73/68/218297368.db2.gz JTTAWBBAZSVOAZ-UHFFFAOYSA-N 1 1 337.493 2.621 50 0 EFAAMO C[N@H+]1CCC[C@@H](CCC(=O)N2CCCN(c3ccc(F)cc3)CC2)C1 ZINC000095374386 218307242 /nfs/dbraw/zinc/30/72/42/218307242.db2.gz OEAHABLUFFAZHJ-KRWDZBQOSA-N 1 1 347.478 2.986 50 0 EFAAMO C[N@H+]1CCC[C@H](CCC(=O)N2CCCN(c3ccc(F)cc3)CC2)C1 ZINC000095374385 218307334 /nfs/dbraw/zinc/30/73/34/218307334.db2.gz OEAHABLUFFAZHJ-QGZVFWFLSA-N 1 1 347.478 2.986 50 0 EFAAMO Cc1ccc2c(c1)c(CNC(=O)CC[C@@H]1CCCC[N@H+]1C)nn2C ZINC000095368579 218301081 /nfs/dbraw/zinc/30/10/81/218301081.db2.gz FFPZIWOSTBZALT-HNNXBMFYSA-N 1 1 328.460 2.762 50 0 EFAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc2c(c1)OCCCO2 ZINC000095370261 218302580 /nfs/dbraw/zinc/30/25/80/218302580.db2.gz CULBNQKXJSYVSQ-MRXNPFEDSA-N 1 1 332.444 2.729 50 0 EFAAMO Cc1cc(C)n(CCN(C)C(=O)[C@H](c2ccc(C)cc2)[NH+](C)C)n1 ZINC000095371008 218304133 /nfs/dbraw/zinc/30/41/33/218304133.db2.gz MUNVPCXLZGEZMR-SFHVURJKSA-N 1 1 328.460 2.570 50 0 EFAAMO NC(=O)c1ccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)cc1 ZINC000095372194 218305621 /nfs/dbraw/zinc/30/56/21/218305621.db2.gz AEYHLZKLOFPLBK-PZJWPPBQSA-N 1 1 349.478 2.882 50 0 EFAAMO NC(=O)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cc1 ZINC000095372194 218305624 /nfs/dbraw/zinc/30/56/24/218305624.db2.gz AEYHLZKLOFPLBK-PZJWPPBQSA-N 1 1 349.478 2.882 50 0 EFAAMO NC(=O)c1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cc1 ZINC000095372194 218305627 /nfs/dbraw/zinc/30/56/27/218305627.db2.gz AEYHLZKLOFPLBK-PZJWPPBQSA-N 1 1 349.478 2.882 50 0 EFAAMO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCCN1Cc2ccccc2C1 ZINC000095372674 218305695 /nfs/dbraw/zinc/30/56/95/218305695.db2.gz FRMVUMUKGFNZFH-LJQANCHMSA-N 1 1 329.488 2.773 50 0 EFAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCCN1Cc2ccccc2C1 ZINC000095372674 218305697 /nfs/dbraw/zinc/30/56/97/218305697.db2.gz FRMVUMUKGFNZFH-LJQANCHMSA-N 1 1 329.488 2.773 50 0 EFAAMO Cc1csc(CCCNC(=O)[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000095372947 218305717 /nfs/dbraw/zinc/30/57/17/218305717.db2.gz VNQMZEWBEKYKBJ-MRXNPFEDSA-N 1 1 335.448 2.942 50 0 EFAAMO CCn1nc(C)c(CNC(=O)[C@H](c2ccc(C)cc2)[NH+](C)C)c1C ZINC000095373844 218306272 /nfs/dbraw/zinc/30/62/72/218306272.db2.gz XCOJLYJGLCLOOE-SFHVURJKSA-N 1 1 328.460 2.747 50 0 EFAAMO CC[N@H+]1CCC[C@](C)(C(=O)N2CC(OCc3ccccc3F)C2)C1 ZINC000095376811 218310221 /nfs/dbraw/zinc/31/02/21/218310221.db2.gz YQMSALIEYDDAKW-IBGZPJMESA-N 1 1 334.435 2.675 50 0 EFAAMO CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cc1cccc(O)c1)C2 ZINC000095380755 218313812 /nfs/dbraw/zinc/31/38/12/218313812.db2.gz IZFWTLPVSQGDRP-QZTJIDSGSA-N 1 1 328.456 2.824 50 0 EFAAMO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)s1 ZINC000008896432 211016265 /nfs/dbraw/zinc/01/62/65/211016265.db2.gz APJNIJNACMZVCR-LBPRGKRZSA-N 1 1 330.500 2.699 50 0 EFAAMO CCn1nc(C)c(CNC(=O)[C@H](c2cccc(C)c2)[NH+](C)C)c1C ZINC000095381846 218314999 /nfs/dbraw/zinc/31/49/99/218314999.db2.gz UIIRREIUPKMMJX-SFHVURJKSA-N 1 1 328.460 2.747 50 0 EFAAMO C[NH+](C)[C@@H](C(=O)N1CC(Oc2ccccc2F)C1)c1ccc(F)cc1 ZINC000095376711 218309047 /nfs/dbraw/zinc/30/90/47/218309047.db2.gz QZMBXLZIWLHYIJ-GOSISDBHSA-N 1 1 346.377 2.857 50 0 EFAAMO Cc1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)cs1 ZINC000095388017 218319263 /nfs/dbraw/zinc/31/92/63/218319263.db2.gz IIMVXCTUDXYABV-JKSUJKDBSA-N 1 1 342.468 2.583 50 0 EFAAMO Cc1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2cccnc2)C3)cs1 ZINC000095388017 218319267 /nfs/dbraw/zinc/31/92/67/218319267.db2.gz IIMVXCTUDXYABV-JKSUJKDBSA-N 1 1 342.468 2.583 50 0 EFAAMO Cc1[nH+]ccn1CC1(CNC(=O)[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC000095387569 218319320 /nfs/dbraw/zinc/31/93/20/218319320.db2.gz CKXSCXTUFOFKTD-QGZVFWFLSA-N 1 1 344.434 2.530 50 0 EFAAMO O=C(c1ccc[nH]1)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000095387454 218319800 /nfs/dbraw/zinc/31/98/00/218319800.db2.gz CZTUNMFQIQOTBU-MAUKXSAKSA-N 1 1 335.451 2.719 50 0 EFAAMO Cc1nnsc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095387654 218319905 /nfs/dbraw/zinc/31/99/05/218319905.db2.gz RBPWCRKAAJUJOQ-HZPDHXFCSA-N 1 1 342.468 2.583 50 0 EFAAMO Cc1nnsc1C(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095387654 218319906 /nfs/dbraw/zinc/31/99/06/218319906.db2.gz RBPWCRKAAJUJOQ-HZPDHXFCSA-N 1 1 342.468 2.583 50 0 EFAAMO Cc1cc2nc(CNC(=O)CC[C@H]3CCCC[N@@H+]3C)cn2c(C)c1 ZINC000095388647 218320901 /nfs/dbraw/zinc/32/09/01/218320901.db2.gz AYAKHUGHLJULLE-QGZVFWFLSA-N 1 1 328.460 2.832 50 0 EFAAMO C[NH+](C)[C@@H](C(=O)NCCc1nc2c(s1)CCC2)c1ccc(F)cc1 ZINC000095389236 218321076 /nfs/dbraw/zinc/32/10/76/218321076.db2.gz ZCBLIXNBYVZMLI-QGZVFWFLSA-N 1 1 347.459 2.733 50 0 EFAAMO O=C(c1ncccc1O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095390307 218321521 /nfs/dbraw/zinc/32/15/21/218321521.db2.gz WLRNZJMORZEQHN-IAGOWNOFSA-N 1 1 337.423 2.524 50 0 EFAAMO CN(Cc1cc(C2CC2)n[nH]1)C(=O)[C@H](c1cccc(F)c1)[NH+](C)C ZINC000095391645 218322649 /nfs/dbraw/zinc/32/26/49/218322649.db2.gz JCYOSRCNCACYQW-KRWDZBQOSA-N 1 1 330.407 2.688 50 0 EFAAMO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C2CCOCC2)C3)c(C)o1 ZINC000095383507 218315776 /nfs/dbraw/zinc/31/57/76/218315776.db2.gz QHEFUMIBNYRHNI-DOTOQJQBSA-N 1 1 332.444 2.612 50 0 EFAAMO COc1cccc(N2CCN(C(=O)CC[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000095383440 218315827 /nfs/dbraw/zinc/31/58/27/218315827.db2.gz HNVXHGMQZLJHLJ-QGZVFWFLSA-N 1 1 345.487 2.608 50 0 EFAAMO CC(C)[N@H+]1CC[C@@H](Cn2ncc(N(C)Cc3ccccc3)cc2=O)C1 ZINC000095384225 218317364 /nfs/dbraw/zinc/31/73/64/218317364.db2.gz PLIZWVFPJRJORQ-GOSISDBHSA-N 1 1 340.471 2.610 50 0 EFAAMO Cc1ccsc1CCNC(=O)[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000095386261 218318350 /nfs/dbraw/zinc/31/83/50/218318350.db2.gz GLWLVJQJTBCBJY-KRWDZBQOSA-N 1 1 329.469 2.947 50 0 EFAAMO CCC[N@H+](CCO)Cc1cc(OC)c(OC)cc1Br ZINC000004985619 210350174 /nfs/dbraw/zinc/35/01/74/210350174.db2.gz UVBXULUCCXUCCW-UHFFFAOYSA-N 1 1 332.238 2.671 50 0 EFAAMO CCC[N@@H+](CCO)Cc1cc(OC)c(OC)cc1Br ZINC000004985619 210350177 /nfs/dbraw/zinc/35/01/77/210350177.db2.gz UVBXULUCCXUCCW-UHFFFAOYSA-N 1 1 332.238 2.671 50 0 EFAAMO Cc1c(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)c2cc(O)ccc2n1C ZINC000097259200 219006073 /nfs/dbraw/zinc/00/60/73/219006073.db2.gz NPZQCXNEUGCKPQ-GOSISDBHSA-N 1 1 349.434 2.979 50 0 EFAAMO Cc1ccc(-c2cccc(C(=O)NCC[N@H+]3CCCC[C@H]3CO)c2)o1 ZINC000097527808 219033188 /nfs/dbraw/zinc/03/31/88/219033188.db2.gz PBNMKURGFMZHNR-SFHVURJKSA-N 1 1 342.439 2.832 50 0 EFAAMO Cc1ccc([C@@H](C)CC[NH+]2CCN(c3ncnc4[nH]cnc43)CC2)o1 ZINC000097551384 219034018 /nfs/dbraw/zinc/03/40/18/219034018.db2.gz PRRCXNQXEWKMBT-ZDUSSCGKSA-N 1 1 340.431 2.570 50 0 EFAAMO CCc1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3C)C2)no1 ZINC000097551298 219034055 /nfs/dbraw/zinc/03/40/55/219034055.db2.gz QILCMEOIVRMORI-HNNXBMFYSA-N 1 1 327.428 2.797 50 0 EFAAMO CC(C)[N@H+]1CCO[C@@H](CC(=O)NCc2ccc3c(c2)CCCC3)C1 ZINC000097604139 219039735 /nfs/dbraw/zinc/03/97/35/219039735.db2.gz UPEPENDSSUSXIM-IBGZPJMESA-N 1 1 330.472 2.681 50 0 EFAAMO O=C(NCCC[N@@H+]1CCC[C@@H](CO)C1)Nc1cc(F)cc(Cl)c1 ZINC000097575020 219036454 /nfs/dbraw/zinc/03/64/54/219036454.db2.gz GVUMBXCGQZIODO-GFCCVEGCSA-N 1 1 343.830 2.695 50 0 EFAAMO COCC[N@H+]1CCC[C@@H](CNC(=O)N(C)C/C=C/c2ccccc2)C1 ZINC000426740379 257956643 /nfs/dbraw/zinc/95/66/43/257956643.db2.gz GHOTWVRRPRAMNW-IUYMFKLXSA-N 1 1 345.487 2.700 50 0 EFAAMO CCCOCC[NH+]1CCN(C(=O)N[C@@H](C)c2cccs2)CC1 ZINC000426719839 257956979 /nfs/dbraw/zinc/95/69/79/257956979.db2.gz JQSHOVDYORRHOS-AWEZNQCLSA-N 1 1 325.478 2.563 50 0 EFAAMO Cc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC(OCc2ccccn2)CC1 ZINC000426707161 257957800 /nfs/dbraw/zinc/95/78/00/257957800.db2.gz HHZUOLIISYTIGJ-HNNXBMFYSA-N 1 1 342.443 2.745 50 0 EFAAMO CC(C)[N@H+]1CC[C@@H](CN(C)C(=O)CCc2ccc(N(C)C)cc2)C1 ZINC000299773585 258085271 /nfs/dbraw/zinc/08/52/71/258085271.db2.gz DMIDEOHHEJOAFE-SFHVURJKSA-N 1 1 331.504 2.874 50 0 EFAAMO CO[C@H]1CC[C@@]2(OC)CC[N@@H+](Cc3cc4c(cc3C)OCO4)[C@H]2C1 ZINC000299773587 258085483 /nfs/dbraw/zinc/08/54/83/258085483.db2.gz DPOFDENFIDEKNH-ZYSHUDEJSA-N 1 1 333.428 2.882 50 0 EFAAMO O=C(NCCc1ccncc1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299775768 258086178 /nfs/dbraw/zinc/08/61/78/258086178.db2.gz KCOPCCUKWGDSEM-ZCNNSNEGSA-N 1 1 335.451 2.966 50 0 EFAAMO O=C([C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12)N1CCC(CCO)CC1 ZINC000299777638 258087492 /nfs/dbraw/zinc/08/74/92/258087492.db2.gz QRRRJXPFBBQSRZ-ZCNNSNEGSA-N 1 1 342.483 2.833 50 0 EFAAMO COCC[N@H+](CC(=O)N1CCCCCC1)Cc1cccc(OC)c1 ZINC000299778851 258088461 /nfs/dbraw/zinc/08/84/61/258088461.db2.gz IAMDALKUFHJHMH-UHFFFAOYSA-N 1 1 334.460 2.546 50 0 EFAAMO COCC[N@@H+](CC(=O)N1CCCCCC1)Cc1cccc(OC)c1 ZINC000299778851 258088462 /nfs/dbraw/zinc/08/84/62/258088462.db2.gz IAMDALKUFHJHMH-UHFFFAOYSA-N 1 1 334.460 2.546 50 0 EFAAMO Cc1[nH+]ccn1CC1CCN(c2cc([C@@H]3CCOC3)nc(C)n2)CC1 ZINC000299784747 258092533 /nfs/dbraw/zinc/09/25/33/258092533.db2.gz OYYYTNKBVQSHJL-QGZVFWFLSA-N 1 1 341.459 2.710 50 0 EFAAMO CCN1CCCC[C@H]1C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000299787378 258094554 /nfs/dbraw/zinc/09/45/54/258094554.db2.gz QKKDCEIJTWGBSO-IBGZPJMESA-N 1 1 343.515 2.641 50 0 EFAAMO Cc1c(NC(=O)NCCC[NH+]2CCOCC2)cccc1-n1cccc1 ZINC000299789053 258094896 /nfs/dbraw/zinc/09/48/96/258094896.db2.gz VFFCRDRVNQGDDB-UHFFFAOYSA-N 1 1 342.443 2.630 50 0 EFAAMO CC1(C)CN(C(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)CCO1 ZINC000299788372 258094915 /nfs/dbraw/zinc/09/49/15/258094915.db2.gz UUFSNPKBVKYHDH-KSZLIROESA-N 1 1 328.456 2.849 50 0 EFAAMO Cc1c[nH]c(CN(C)C(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)n1 ZINC000299791461 258096741 /nfs/dbraw/zinc/09/67/41/258096741.db2.gz FVZNLYRQGHMNHK-KSZLIROESA-N 1 1 338.455 2.902 50 0 EFAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)Nc2ccnn2-c2ccccc2)C1 ZINC000299792055 258097468 /nfs/dbraw/zinc/09/74/68/258097468.db2.gz FCBZVEAPXHTZTI-HNNXBMFYSA-N 1 1 339.443 2.963 50 0 EFAAMO CCCn1cc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nn1 ZINC000299791642 258097489 /nfs/dbraw/zinc/09/74/89/258097489.db2.gz DWMCXFSGWOUFEC-CYBMUJFWSA-N 1 1 348.476 2.536 50 0 EFAAMO CCCC[N@H+]1CCn2nc(CNC(=O)c3cc(C)oc3C)cc2C1 ZINC000299792322 258097589 /nfs/dbraw/zinc/09/75/89/258097589.db2.gz DPUGFIOECWUZHM-UHFFFAOYSA-N 1 1 330.432 2.639 50 0 EFAAMO Cc1[nH]nc(CCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000299795408 258099866 /nfs/dbraw/zinc/09/98/66/258099866.db2.gz LKTWUJNVPGFNGG-UHFFFAOYSA-N 1 1 340.471 2.871 50 0 EFAAMO CC(C)Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)cc1 ZINC000299795698 258100199 /nfs/dbraw/zinc/10/01/99/258100199.db2.gz MFZIXVXKVABDQK-OALUTQOASA-N 1 1 326.444 2.822 50 0 EFAAMO Cc1[nH+]ccn1CC[C@H](NC(=O)C1CCOCC1)c1ccccc1 ZINC000299798687 258102327 /nfs/dbraw/zinc/10/23/27/258102327.db2.gz VIMAQKCZYOCPHF-SFHVURJKSA-N 1 1 327.428 2.866 50 0 EFAAMO Cc1cc(NC(=O)NCCCn2cc[nH+]c2C)n([C@H](C)C2CC2)n1 ZINC000299799457 258102934 /nfs/dbraw/zinc/10/29/34/258102934.db2.gz RWTQPCJTOUPAIT-CYBMUJFWSA-N 1 1 330.436 2.879 50 0 EFAAMO CC[NH+](CC)CCC[NH2+][C@H](CC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000020432492 258057273 /nfs/dbraw/zinc/05/72/73/258057273.db2.gz GJQSWTXXLJYDIR-OAHLLOKOSA-N 1 1 340.851 2.688 50 0 EFAAMO O=C(NCC[N@@H+]1CCC[C@H](CO)C1)c1cccc2c(Cl)cccc12 ZINC000215960990 258072197 /nfs/dbraw/zinc/07/21/97/258072197.db2.gz WIIRVZLGDHHUEK-AWEZNQCLSA-N 1 1 346.858 2.927 50 0 EFAAMO O=c1cc([C@H]2CCC[N@@H+](Cc3cncn3Cc3ccccc3)C2)nc[nH]1 ZINC000299759819 258077174 /nfs/dbraw/zinc/07/71/74/258077174.db2.gz NHMXWDPTOKYKTI-KRWDZBQOSA-N 1 1 349.438 2.807 50 0 EFAAMO CO[C@]12CC[N@@H+](Cc3c[nH]nc3-c3cccc(F)c3)[C@H]1C[C@@H](O)CC2 ZINC000299760153 258077284 /nfs/dbraw/zinc/07/72/84/258077284.db2.gz SDBSTTPYABZKOZ-JENIJYKNSA-N 1 1 345.418 2.720 50 0 EFAAMO C[C@@H](C[NH3+])Oc1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000299768165 258082171 /nfs/dbraw/zinc/08/21/71/258082171.db2.gz JVXOTLYPFPWFHB-KRWDZBQOSA-N 1 1 325.456 2.735 50 0 EFAAMO CCc1nc2cc(NC(=O)N(C)[C@H]3CC[N@@H+](C)C3)ccc2n1CC ZINC000299769015 258082718 /nfs/dbraw/zinc/08/27/18/258082718.db2.gz LEBHOVKTJSYNJH-AWEZNQCLSA-N 1 1 329.448 2.786 50 0 EFAAMO COCCC[N@H+]1CCCN(C(=O)Cc2c(F)cccc2Cl)CC1 ZINC000362946520 274020363 /nfs/dbraw/zinc/02/03/63/274020363.db2.gz XXOMHSJOWINFHS-UHFFFAOYSA-N 1 1 342.842 2.592 50 0 EFAAMO C[C@@H](O)C[N@@H+]1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 ZINC000067805084 274272720 /nfs/dbraw/zinc/27/27/20/274272720.db2.gz SNYWXXDVUXWBNQ-LLVKDONJSA-N 1 1 334.803 2.683 50 0 EFAAMO C[C@@H](O)C[N@H+]1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 ZINC000067805084 274272723 /nfs/dbraw/zinc/27/27/23/274272723.db2.gz SNYWXXDVUXWBNQ-LLVKDONJSA-N 1 1 334.803 2.683 50 0 EFAAMO c1cnn(CCC[N@H+]2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072149142 275074227 /nfs/dbraw/zinc/07/42/27/275074227.db2.gz REQXEDDAPSGKJL-NJDAHSKKSA-N 1 1 336.483 2.835 50 0 EFAAMO CCN(CC)C(=O)N[C@H]1C[C@H]2c3cccc4[nH]cc(c43)C[C@H]2[N@@H+](C)C1 ZINC000005845751 276090952 /nfs/dbraw/zinc/09/09/52/276090952.db2.gz JOAHPSVPXZTVEP-QILLFSRXSA-N 1 1 340.471 2.932 50 0 in-vitro EFAAMO CC[N@@H+]1CCC[C@@H](CN2CCC3(CC2)Nc2ccccc2NC3=O)C1 ZINC000082127657 276165846 /nfs/dbraw/zinc/16/58/46/276165846.db2.gz JZBBNJNZLDZCPF-MRXNPFEDSA-N 1 1 342.487 2.617 50 0 EFAAMO CC[N@H+]1CCC[C@@H](CN2CCC3(CC2)Nc2ccccc2NC3=O)C1 ZINC000082127657 276165847 /nfs/dbraw/zinc/16/58/47/276165847.db2.gz JZBBNJNZLDZCPF-MRXNPFEDSA-N 1 1 342.487 2.617 50 0 EFAAMO CCN1CCC[C@@H](C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)C1 ZINC000082127657 276165848 /nfs/dbraw/zinc/16/58/48/276165848.db2.gz JZBBNJNZLDZCPF-MRXNPFEDSA-N 1 1 342.487 2.617 50 0 EFAAMO CCc1c[nH+]c(N)nc1N1CC[C@@H](c2cccc(OC)c2OC)C1 ZINC000091440409 276682768 /nfs/dbraw/zinc/68/27/68/276682768.db2.gz QWPJOKPMDFTBHH-CYBMUJFWSA-N 1 1 328.416 2.632 50 0 EFAAMO C[NH+](C)[C@@H](CNS(=O)(=O)CCc1ccccc1)c1cccs1 ZINC000023107792 276826913 /nfs/dbraw/zinc/82/69/13/276826913.db2.gz CVJCXNUBCOBWOD-HNNXBMFYSA-N 1 1 338.498 2.513 50 0 EFAAMO CC(=O)Nc1ccc(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000039333811 277070806 /nfs/dbraw/zinc/07/08/06/277070806.db2.gz GWTINWHKJSKKAE-KRWDZBQOSA-N 1 1 329.444 2.782 50 0 EFAAMO COc1cccc(C[N@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)c1 ZINC000012074629 278011361 /nfs/dbraw/zinc/01/13/61/278011361.db2.gz WJJFSAJUEDVDMQ-HXUWFJFHSA-N 1 1 328.456 2.920 50 0 EFAAMO COc1ccccc1[C@H](CNC(=O)COc1ccc(F)cc1)[NH+](C)C ZINC000027794404 278061691 /nfs/dbraw/zinc/06/16/91/278061691.db2.gz KRQHZMBZTRVEIU-KRWDZBQOSA-N 1 1 346.402 2.632 50 0 EFAAMO Cc1ccccc1[C@H](C(=O)N1CCC2(CC[N@@H+](C)C2)CC1)N(C)C ZINC000095531694 302170065 /nfs/dbraw/zinc/17/00/65/302170065.db2.gz WVNIQKSNAHTHLB-GOSISDBHSA-N 1 1 329.488 2.542 50 0 EFAAMO CC(C)n1ccc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc21 ZINC000095477889 473212468 /nfs/dbraw/zinc/21/24/68/473212468.db2.gz IBXHWAFEZXFPOJ-UHFFFAOYSA-N 1 1 329.444 2.674 50 0 EFAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000095500669 473214302 /nfs/dbraw/zinc/21/43/02/473214302.db2.gz 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Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3nnc(C)o3)C2)o1 ZINC000095531202 473222200 /nfs/dbraw/zinc/22/22/00/473222200.db2.gz UIMIQLLIZWEASZ-HNNXBMFYSA-N 1 1 346.431 2.588 50 0 EFAAMO CN(CCCc1cnn(C)c1)C(=O)CC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000095531672 473222706 /nfs/dbraw/zinc/22/27/06/473222706.db2.gz ICKNSGRMESWYGE-RBUKOAKNSA-N 1 1 346.519 2.856 50 0 EFAAMO CC(C)c1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000081820922 473259450 /nfs/dbraw/zinc/25/94/50/473259450.db2.gz MSJTUEMTZLFBFJ-MRXNPFEDSA-N 1 1 326.444 2.548 50 0 EFAAMO Cc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)s1 ZINC000082109161 473291129 /nfs/dbraw/zinc/29/11/29/473291129.db2.gz SQBJEEDNRLQFKW-SFHVURJKSA-N 1 1 336.501 2.644 50 0 EFAAMO O=C(CCc1cccs1)N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000082116209 473291348 /nfs/dbraw/zinc/29/13/48/473291348.db2.gz LDPOWPQNJNMCFE-MRXNPFEDSA-N 1 1 336.501 2.784 50 0 EFAAMO Cc1cccc2nc(C3CCN(C(=O)C[NH+]4CCCC4)CC3)[nH]c21 ZINC000082120048 473292537 /nfs/dbraw/zinc/29/25/37/473292537.db2.gz 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CCC[C@@H]1C[N@@H+](Cc2ccc(OCC)c(OC)c2)C[C@H]1NC(C)=O ZINC000082156800 473298084 /nfs/dbraw/zinc/29/80/84/473298084.db2.gz WYJLMIIARXKKQG-IAGOWNOFSA-N 1 1 334.460 2.831 50 0 EFAAMO O=C(c1c[nH]c2ccccc12)N1CC[NH+](CCc2ccccn2)CC1 ZINC000096118164 473307373 /nfs/dbraw/zinc/30/73/73/473307373.db2.gz ZVNIXNXIUVZOKQ-UHFFFAOYSA-N 1 1 334.423 2.563 50 0 EFAAMO CNc1cc(C(=O)NCC[N@H+]2CCC[C@@H](c3ccccc3)C2)ccn1 ZINC000096130792 473309191 /nfs/dbraw/zinc/30/91/91/473309191.db2.gz JWMDWEDXVFQUEZ-GOSISDBHSA-N 1 1 338.455 2.733 50 0 EFAAMO Cc1ncccc1C[N@@H+]1C[C@H]2C[NH+](C3CCCCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096149938 473314770 /nfs/dbraw/zinc/31/47/70/473314770.db2.gz ZXGXXGZGYFEHSE-PXNSSMCTSA-N 1 1 343.471 2.541 50 0 EFAAMO Cc1ncccc1C[N@H+]1C[C@H]2C[NH+](C3CCCCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096149938 473314775 /nfs/dbraw/zinc/31/47/75/473314775.db2.gz ZXGXXGZGYFEHSE-PXNSSMCTSA-N 1 1 343.471 2.541 50 0 EFAAMO Cc1ncccc1C[NH+]1C[C@H]2C[N@@H+](C3CCCCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096149938 473314781 /nfs/dbraw/zinc/31/47/81/473314781.db2.gz ZXGXXGZGYFEHSE-PXNSSMCTSA-N 1 1 343.471 2.541 50 0 EFAAMO Cc1ncccc1C[NH+]1C[C@H]2C[N@H+](C3CCCCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096149938 473314787 /nfs/dbraw/zinc/31/47/87/473314787.db2.gz ZXGXXGZGYFEHSE-PXNSSMCTSA-N 1 1 343.471 2.541 50 0 EFAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)Nc2ccc3ncn(C)c3c2)C1 ZINC000096133761 473311153 /nfs/dbraw/zinc/31/11/53/473311153.db2.gz REWXVQDWBLSDBJ-ZDUSSCGKSA-N 1 1 327.432 2.664 50 0 EFAAMO Cc1noc(C)c1CCc1nc([C@@H]2CCOC2)nn1-c1cc[nH+]cc1 ZINC000096141332 473312219 /nfs/dbraw/zinc/31/22/19/473312219.db2.gz WFFBXFCCTSQZHJ-CQSZACIVSA-N 1 1 339.399 2.556 50 0 EFAAMO COCCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc3scnc3c2)C1 ZINC000096140383 473313618 /nfs/dbraw/zinc/31/36/18/473313618.db2.gz LXHIQZJCPRRROK-ZDUSSCGKSA-N 1 1 348.472 2.776 50 0 EFAAMO Cc1ccc(NC(=O)N2CCN(CC3CC[NH+](C)CC3)CC2)cc1F ZINC000096162328 473319729 /nfs/dbraw/zinc/31/97/29/473319729.db2.gz JTTWYEDEIPQMLM-UHFFFAOYSA-N 1 1 348.466 2.625 50 0 EFAAMO CCc1oc(C(=O)N2CCc3nc[nH]c3C2)cc1C[NH+](CC)CC ZINC000096153213 473315736 /nfs/dbraw/zinc/31/57/36/473315736.db2.gz UVAJNNFTYAUWCX-UHFFFAOYSA-N 1 1 330.432 2.605 50 0 EFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cn(C(C)C)c(=O)c2ccccc12 ZINC000096223071 473355349 /nfs/dbraw/zinc/35/53/49/473355349.db2.gz CZERHGKROJLYQM-HNNXBMFYSA-N 1 1 341.455 2.797 50 0 EFAAMO CCC[N@@H+](CC1CC1)[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O ZINC000000084408 471320858 /nfs/dbraw/zinc/32/08/58/471320858.db2.gz HJTRDPKZAFDUEA-QGZVFWFLSA-N 1 1 330.428 2.839 50 0 EFAAMO COc1cccc(C[N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c1OC ZINC000000212274 471335536 /nfs/dbraw/zinc/33/55/36/471335536.db2.gz DHQXSFYXQQIKJV-KRWDZBQOSA-N 1 1 346.471 2.928 50 0 EFAAMO COc1ccc(OC)c(C[N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c1 ZINC000000212312 471335721 /nfs/dbraw/zinc/33/57/21/471335721.db2.gz ITOUDDOPLAMPIN-INIZCTEOSA-N 1 1 346.471 2.928 50 0 EFAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000000214896 471337177 /nfs/dbraw/zinc/33/71/77/471337177.db2.gz SAVXZHIDUAACIM-OAHLLOKOSA-N 1 1 348.443 2.504 50 0 EFAAMO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc1O ZINC000001250665 471383422 /nfs/dbraw/zinc/38/34/22/471383422.db2.gz GRTQBOXVWYRXQP-HNNXBMFYSA-N 1 1 345.424 2.879 50 0 EFAAMO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc1O ZINC000001250665 471383428 /nfs/dbraw/zinc/38/34/28/471383428.db2.gz GRTQBOXVWYRXQP-HNNXBMFYSA-N 1 1 345.424 2.879 50 0 EFAAMO Cc1cc(C)c(S(=O)(=O)c2ccccc2C)c(OCC[NH+](C)C)n1 ZINC000001388763 471388586 /nfs/dbraw/zinc/38/85/86/471388586.db2.gz YWIGMJPHOJBCPJ-UHFFFAOYSA-N 1 1 348.468 2.780 50 0 EFAAMO Cc1ccc(-c2c3c(nc[nH+]c3N)n(CCCO)c2C(=O)CF)cc1 ZINC000006718642 471562392 /nfs/dbraw/zinc/56/23/92/471562392.db2.gz IKLGYJACVCXYIL-UHFFFAOYSA-N 1 1 342.374 2.524 50 0 in-vitro EFAAMO O=C(NC1CC1)C1CCN(C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000012756339 471793894 /nfs/dbraw/zinc/79/38/94/471793894.db2.gz QUBXKDFFHSMKPK-UHFFFAOYSA-N 1 1 333.520 2.774 50 0 EFAAMO CCOC(=O)c1sc(NC(=O)C[N@@H+](C)C2CCCCC2)nc1C ZINC000013323285 471825227 /nfs/dbraw/zinc/82/52/27/471825227.db2.gz PXYNGSXHKASLSL-UHFFFAOYSA-N 1 1 339.461 2.831 50 0 EFAAMO C[C@H]1CCc2c(sc(NC(=O)C[N@H+]3CCC[C@H](C)C3)c2C(N)=O)C1 ZINC000013745304 471842552 /nfs/dbraw/zinc/84/25/52/471842552.db2.gz ZYRSRFHIGIHVNK-RYUDHWBXSA-N 1 1 349.500 2.642 50 0 EFAAMO C[C@H]1CCc2c(sc(NC(=O)C[N@@H+]3CCC[C@H](C)C3)c2C(N)=O)C1 ZINC000013745304 471842559 /nfs/dbraw/zinc/84/25/59/471842559.db2.gz ZYRSRFHIGIHVNK-RYUDHWBXSA-N 1 1 349.500 2.642 50 0 EFAAMO COC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CCC[C@H](C)C1)CCC2 ZINC000014193687 471859842 /nfs/dbraw/zinc/85/98/42/471859842.db2.gz WIFPAIPAOSOCDO-NSHDSACASA-N 1 1 336.457 2.694 50 0 EFAAMO COC(=O)c1c2c(sc1NC(=O)C[N@H+]1CCC[C@H](C)C1)CCC2 ZINC000014193687 471859848 /nfs/dbraw/zinc/85/98/48/471859848.db2.gz WIFPAIPAOSOCDO-NSHDSACASA-N 1 1 336.457 2.694 50 0 EFAAMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(NC(C)(C)C)nc2)C1 ZINC000014950827 471882745 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EFAAMO CCC(=O)c1ccc(OCCOCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016489180 471938840 /nfs/dbraw/zinc/93/88/40/471938840.db2.gz UICDOCVLHLVQHL-IYBDPMFKSA-N 1 1 335.444 2.784 50 0 EFAAMO CCC(=O)c1ccc(OCCOCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016489180 471938845 /nfs/dbraw/zinc/93/88/45/471938845.db2.gz UICDOCVLHLVQHL-IYBDPMFKSA-N 1 1 335.444 2.784 50 0 EFAAMO O=C(NC[C@@H]1CC[N@H+](C2CCCC2)C1)Nc1ccc2c(c1)OCCO2 ZINC000016623853 471943963 /nfs/dbraw/zinc/94/39/63/471943963.db2.gz LEXZPVZERYIEBO-AWEZNQCLSA-N 1 1 345.443 2.844 50 0 EFAAMO C[C@H]1CCc2c(sc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)c2C(N)=O)C1 ZINC000017072622 471956619 /nfs/dbraw/zinc/95/66/19/471956619.db2.gz RHMICHSDXWYFJU-RYUDHWBXSA-N 1 1 349.500 2.785 50 0 EFAAMO C[C@H]1CCc2c(sc(NC(=O)C[N@H+]3CCCC[C@@H]3C)c2C(N)=O)C1 ZINC000017072622 471956621 /nfs/dbraw/zinc/95/66/21/471956621.db2.gz RHMICHSDXWYFJU-RYUDHWBXSA-N 1 1 349.500 2.785 50 0 EFAAMO CC(C)c1cc(CN2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)[nH]n1 ZINC000019228159 471978761 /nfs/dbraw/zinc/97/87/61/471978761.db2.gz FGANKNDRFDJEHC-SFHVURJKSA-N 1 1 334.508 2.734 50 0 EFAAMO CC(C)c1cc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)n[nH]1 ZINC000019228159 471978765 /nfs/dbraw/zinc/97/87/65/471978765.db2.gz FGANKNDRFDJEHC-SFHVURJKSA-N 1 1 334.508 2.734 50 0 EFAAMO CC(C)c1cc(CN2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)n[nH]1 ZINC000019228159 471978768 /nfs/dbraw/zinc/97/87/68/471978768.db2.gz FGANKNDRFDJEHC-SFHVURJKSA-N 1 1 334.508 2.734 50 0 EFAAMO Cc1ccc(N2CCN(C(=O)CC[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000020600629 471992996 /nfs/dbraw/zinc/99/29/96/471992996.db2.gz LKWOTSOHEJWLCI-GOSISDBHSA-N 1 1 329.488 2.766 50 0 EFAAMO COc1ccccc1N1CCN([C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000020997779 471995331 /nfs/dbraw/zinc/99/53/31/471995331.db2.gz YBMBSPLNWYILNJ-SFHVURJKSA-N 1 1 329.488 2.834 50 0 EFAAMO CCn1c2ccccc2c2cc(CN3CC[NH+](CCO)CC3)ccc21 ZINC000022027623 472008773 /nfs/dbraw/zinc/00/87/73/472008773.db2.gz ROINZYPBGIUPJP-UHFFFAOYSA-N 1 1 337.467 2.924 50 0 EFAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000022913083 472023867 /nfs/dbraw/zinc/02/38/67/472023867.db2.gz KSRJNUVGJPLLHN-SFHVURJKSA-N 1 1 331.504 2.938 50 0 EFAAMO CCCCOc1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000023282008 472028974 /nfs/dbraw/zinc/02/89/74/472028974.db2.gz SYECAFOTXUOTFC-UHFFFAOYSA-N 1 1 326.444 2.978 50 0 EFAAMO Fc1ccc(N2CCN([C@@H]3CCC[N@H+](C4CCOCC4)C3)CC2)cc1 ZINC000023374370 472032113 /nfs/dbraw/zinc/03/21/13/472032113.db2.gz UQHRVFCISPEFIT-HXUWFJFHSA-N 1 1 347.478 2.591 50 0 EFAAMO COc1ccccc1[C@@H](CNC(=O)COc1ccc(C)cc1)[NH+](C)C ZINC000023982178 472041564 /nfs/dbraw/zinc/04/15/64/472041564.db2.gz WYPIIXILAIAVTR-GOSISDBHSA-N 1 1 342.439 2.802 50 0 EFAAMO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000024146823 472047895 /nfs/dbraw/zinc/04/78/95/472047895.db2.gz DJHPQTBCNYGDFH-MRXNPFEDSA-N 1 1 342.414 2.937 50 0 EFAAMO Nc1cc(N2CCC[C@H](c3n[nH]cc3Cc3ccccc3)C2)nc[nH+]1 ZINC000067696403 472073699 /nfs/dbraw/zinc/07/36/99/472073699.db2.gz GQJUGADASXYKML-HNNXBMFYSA-N 1 1 334.427 2.757 50 0 EFAAMO CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC000041625428 472074492 /nfs/dbraw/zinc/07/44/92/472074492.db2.gz CHXLPYXHHRXTSE-MRXNPFEDSA-N 1 1 338.517 2.745 50 0 EFAAMO Cc1ccc(-c2ccccc2C[N@H+]2CC[C@@H](CNS(C)(=O)=O)C2)o1 ZINC000067724796 472079789 /nfs/dbraw/zinc/07/97/89/472079789.db2.gz ORCMHWHCYKFOLX-HNNXBMFYSA-N 1 1 348.468 2.626 50 0 EFAAMO CC(C)c1[nH]nc2c1CN(c1nc(CC[NH3+])nc3ccccc31)CC2 ZINC000067804935 472091958 /nfs/dbraw/zinc/09/19/58/472091958.db2.gz PNWHXXDQVDTMDJ-UHFFFAOYSA-N 1 1 336.443 2.540 50 0 EFAAMO Nc1nc(N2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)cc[nH+]1 ZINC000067834459 472096936 /nfs/dbraw/zinc/09/69/36/472096936.db2.gz SSWJZUBTCAYTAK-UHFFFAOYSA-N 1 1 338.390 2.972 50 0 EFAAMO Cc1[nH+]c(N2CCCC2)nc(N2CCC[C@H](c3cc[nH]n3)C2)c1C ZINC000067851527 472098733 /nfs/dbraw/zinc/09/87/33/472098733.db2.gz QPVGIZSRLGSLMR-HNNXBMFYSA-N 1 1 326.448 2.801 50 0 EFAAMO C[NH+]1CCN(C2(CNC(=O)c3ccccc3F)CCCCC2)CC1 ZINC000027742163 472193491 /nfs/dbraw/zinc/19/34/91/472193491.db2.gz MDWCPACPLZVTBG-UHFFFAOYSA-N 1 1 333.451 2.506 50 0 EFAAMO CCn1nc(C)c(CCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1C ZINC000085878620 472269598 /nfs/dbraw/zinc/26/95/98/472269598.db2.gz FGZPHACICUZMAI-PKOBYXMFSA-N 1 1 346.519 2.833 50 0 biogenic EFAAMO COc1ccc(NC(=S)NC[C@@H](c2cccnc2)[NH+](C)C)cc1 ZINC000057011200 472373858 /nfs/dbraw/zinc/37/38/58/472373858.db2.gz XGTHBABJUDQIBV-INIZCTEOSA-N 1 1 330.457 2.680 50 0 EFAAMO Cc1[nH]c2cc(C)ccc2c1C(=O)C[NH+]1CCC2(CC1)OCCO2 ZINC000057058910 472379381 /nfs/dbraw/zinc/37/93/81/472379381.db2.gz ZBBMAKRSZQTQPD-UHFFFAOYSA-N 1 1 328.412 2.806 50 0 EFAAMO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000069743794 472418248 /nfs/dbraw/zinc/41/82/48/472418248.db2.gz WNIHAFRVTXASBN-XJKSGUPXSA-N 1 1 344.459 2.571 50 0 EFAAMO COc1cccc2ccc(N3CC[NH+](Cc4cccnc4)CC3)nc21 ZINC000032520348 472442705 /nfs/dbraw/zinc/44/27/05/472442705.db2.gz HIAIJFAJHQWEAV-UHFFFAOYSA-N 1 1 334.423 2.961 50 0 EFAAMO CSCCc1nc(Cn2c[nH+]c(C)c2C)n(-c2cccc(C)n2)n1 ZINC000097098842 472445108 /nfs/dbraw/zinc/44/51/08/472445108.db2.gz HEFVRMYGDJXPKD-UHFFFAOYSA-N 1 1 342.472 2.738 50 0 EFAAMO C[C@@H](C(=O)NCc1cccs1)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200601 472476228 /nfs/dbraw/zinc/47/62/28/472476228.db2.gz XTAACWJUSHVDJG-LSDHHAIUSA-N 1 1 344.484 2.582 50 0 EFAAMO O=C(C[N@@H+]1CC[C@H](CNc2ccccn2)C1)Nc1ccc(Cl)cn1 ZINC000097200596 472476270 /nfs/dbraw/zinc/47/62/70/472476270.db2.gz UYSXEIAQSCEIRW-CYBMUJFWSA-N 1 1 345.834 2.503 50 0 EFAAMO O=C(C[N@H+]1CC[C@H](CNc2ccccn2)C1)Nc1ccc(Cl)cn1 ZINC000097200596 472476279 /nfs/dbraw/zinc/47/62/79/472476279.db2.gz UYSXEIAQSCEIRW-CYBMUJFWSA-N 1 1 345.834 2.503 50 0 EFAAMO Cc1ccc(NC[C@H]2CC[N@H+](CC(=O)NCc3cccs3)C2)nc1 ZINC000097200758 472476532 /nfs/dbraw/zinc/47/65/32/472476532.db2.gz WUOKIQGGEZRKFL-OAHLLOKOSA-N 1 1 344.484 2.502 50 0 EFAAMO Cc1ccc(NC[C@H]2CC[N@@H+](CC(=O)NCc3cccs3)C2)nc1 ZINC000097200758 472476544 /nfs/dbraw/zinc/47/65/44/472476544.db2.gz WUOKIQGGEZRKFL-OAHLLOKOSA-N 1 1 344.484 2.502 50 0 EFAAMO Cc1cccc(NC[C@H]2CC[N@@H+](CCC(=O)NC3CCCC3)C2)n1 ZINC000097200552 472477963 /nfs/dbraw/zinc/47/79/63/472477963.db2.gz HQWKBSZMRIXGFR-MRXNPFEDSA-N 1 1 330.476 2.573 50 0 EFAAMO Cc1cc(C)n([C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000077286035 472494679 /nfs/dbraw/zinc/49/46/79/472494679.db2.gz KIQPMLNJRVSLMS-SFHVURJKSA-N 1 1 340.471 2.714 50 0 EFAAMO C[N@@H+](Cc1cc(-c2cccnc2)no1)[C@H]1CCOC2(CCOCC2)C1 ZINC000077300748 472496879 /nfs/dbraw/zinc/49/68/79/472496879.db2.gz ZHTDHSUBYOUZCY-INIZCTEOSA-N 1 1 343.427 2.897 50 0 EFAAMO COCC[N@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077300415 472496980 /nfs/dbraw/zinc/49/69/80/472496980.db2.gz BEYHXNNZPJNAJG-FQEVSTJZSA-N 1 1 330.472 2.580 50 0 EFAAMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@H]2CO ZINC000097758975 472507110 /nfs/dbraw/zinc/50/71/10/472507110.db2.gz XKJXXKAAKCOIQB-PXNSSMCTSA-N 1 1 346.471 2.738 50 0 EFAAMO C[C@]1(C(=O)N2CCC[N@H+](Cc3ccccc3F)CC2)CCCCO1 ZINC000077354530 472510817 /nfs/dbraw/zinc/51/08/17/472510817.db2.gz NANLXSKHFCKDGR-LJQANCHMSA-N 1 1 334.435 2.819 50 0 EFAAMO C[C@]1(C(=O)N2CCC[N@@H+](Cc3ccccc3F)CC2)CCCCO1 ZINC000077354530 472510822 /nfs/dbraw/zinc/51/08/22/472510822.db2.gz NANLXSKHFCKDGR-LJQANCHMSA-N 1 1 334.435 2.819 50 0 EFAAMO Cc1[nH+]ccn1CCC(=O)N1CCN(c2ccc(C)cc2)C[C@H]1C ZINC000077357723 472510925 /nfs/dbraw/zinc/51/09/25/472510925.db2.gz UQLFWJAHNMEPTK-MRXNPFEDSA-N 1 1 326.444 2.627 50 0 EFAAMO COc1ccc(F)c(F)c1C[N@@H+]1CCCC[C@@H]1CCNC(C)=O ZINC000077378161 472515940 /nfs/dbraw/zinc/51/59/40/472515940.db2.gz LKQUWKPKGSHTBM-CYBMUJFWSA-N 1 1 326.387 2.854 50 0 EFAAMO COc1ccc(F)c(F)c1C[N@H+]1CCCC[C@@H]1CCNC(C)=O ZINC000077378161 472515945 /nfs/dbraw/zinc/51/59/45/472515945.db2.gz LKQUWKPKGSHTBM-CYBMUJFWSA-N 1 1 326.387 2.854 50 0 EFAAMO Cn1ccnc1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000077389098 472518729 /nfs/dbraw/zinc/51/87/29/472518729.db2.gz AUMBZQRGMAGJEO-KRWDZBQOSA-N 1 1 349.438 2.701 50 0 EFAAMO O=C1C[C@]2(CC[N@@H+](CC(c3ccccc3)c3ccccc3)C2)C(=O)N1 ZINC000077392656 472519102 /nfs/dbraw/zinc/51/91/02/472519102.db2.gz FETFCZSIHXFYTP-NRFANRHFSA-N 1 1 334.419 2.557 50 0 EFAAMO O=C1C[C@@]2(CC[N@@H+](CC(c3ccccc3)c3ccccc3)C2)C(=O)N1 ZINC000077392658 472519114 /nfs/dbraw/zinc/51/91/14/472519114.db2.gz FETFCZSIHXFYTP-OAQYLSRUSA-N 1 1 334.419 2.557 50 0 EFAAMO Fc1ccccc1C[N@H+]1CCCN(c2ncnc3[nH]ccc32)CC1 ZINC000077407422 472521658 /nfs/dbraw/zinc/52/16/58/472521658.db2.gz VJRRECRLDCOTAX-UHFFFAOYSA-N 1 1 325.391 2.809 50 0 EFAAMO Fc1ccc(-c2noc(C[NH+]3CCC(c4cc[nH]n4)CC3)n2)cc1 ZINC000058226018 472522716 /nfs/dbraw/zinc/52/27/16/472522716.db2.gz ULXQFKQWKVVWTH-UHFFFAOYSA-N 1 1 327.363 2.978 50 0 EFAAMO CCCCN1C[C@@]2(CCC[N@@H+](Cc3cn(C)nc3C)C2)CCC1=O ZINC000077419892 472524602 /nfs/dbraw/zinc/52/46/02/472524602.db2.gz APAZMUQJCYMGJG-IBGZPJMESA-N 1 1 332.492 2.733 50 0 EFAAMO Cc1nc(C)c(C(=O)N(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)s1 ZINC000077424610 472525810 /nfs/dbraw/zinc/52/58/10/472525810.db2.gz RWOPDKFEMSFVQC-MRXNPFEDSA-N 1 1 329.469 2.889 50 0 EFAAMO Cc1nc(C)c(C(=O)N(C)C[C@H]2Cc3ccccc3C[N@H+]2C)s1 ZINC000077424610 472525813 /nfs/dbraw/zinc/52/58/13/472525813.db2.gz RWOPDKFEMSFVQC-MRXNPFEDSA-N 1 1 329.469 2.889 50 0 EFAAMO C/C=C(\C)C[N@H+]1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077425694 472526222 /nfs/dbraw/zinc/52/62/22/472526222.db2.gz OIVSJDLRRMYULS-WYLMYDOGSA-N 1 1 342.487 2.956 50 0 EFAAMO O=C1CC[C@@]2(CCC[N@@H+](CCOc3ccccc3)C2)CN1C1CC1 ZINC000077439509 472526953 /nfs/dbraw/zinc/52/69/53/472526953.db2.gz AXPUAWYEUHSDFV-HXUWFJFHSA-N 1 1 328.456 2.932 50 0 EFAAMO Cc1cccc(C)c1C[N@H+]1CCC[C@]2(CCC(=O)N(CCO)C2)C1 ZINC000077488332 472537213 /nfs/dbraw/zinc/53/72/13/472537213.db2.gz YGESRPJIGKOEDT-FQEVSTJZSA-N 1 1 330.472 2.500 50 0 EFAAMO Cc1ncncc1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000077505589 472540731 /nfs/dbraw/zinc/54/07/31/472540731.db2.gz GHQRERBRXPBIKI-UHFFFAOYSA-N 1 1 338.455 2.566 50 0 EFAAMO COc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)o1 ZINC000077519456 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/nfs/dbraw/zinc/25/07/11/474250711.db2.gz VOFQENQIRRLVSD-KDOFPFPSSA-N 1 1 342.418 2.748 50 0 EFAAMO O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229220334 474250717 /nfs/dbraw/zinc/25/07/17/474250717.db2.gz VOFQENQIRRLVSD-KDOFPFPSSA-N 1 1 342.418 2.748 50 0 EFAAMO CNc1ncccc1C(=O)NC[C@@H](c1ccccc1F)[NH+]1CCCC1 ZINC000244734269 474565085 /nfs/dbraw/zinc/56/50/85/474565085.db2.gz NCGSIXNKPWPTLS-KRWDZBQOSA-N 1 1 342.418 2.829 50 0 EFAAMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cncn3Cc3ccccc3)C2)[nH]1 ZINC000244724474 474565266 /nfs/dbraw/zinc/56/52/66/474565266.db2.gz MUVSYXPRIZLVJP-QGZVFWFLSA-N 1 1 336.443 2.738 50 0 EFAAMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cncn3Cc3ccccc3)C2)n1 ZINC000244724474 474565274 /nfs/dbraw/zinc/56/52/74/474565274.db2.gz MUVSYXPRIZLVJP-QGZVFWFLSA-N 1 1 336.443 2.738 50 0 EFAAMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cncn3Cc3ccccc3)C2)n1 ZINC000244724474 474565281 /nfs/dbraw/zinc/56/52/81/474565281.db2.gz MUVSYXPRIZLVJP-QGZVFWFLSA-N 1 1 336.443 2.738 50 0 EFAAMO CC[N@H+](Cc1cn2cccc(C)c2n1)C[C@H](O)c1cccc(O)c1 ZINC000244734563 474566008 /nfs/dbraw/zinc/56/60/08/474566008.db2.gz NHZZKOPGNTUSMV-SFHVURJKSA-N 1 1 325.412 2.904 50 0 EFAAMO Cc1c(F)cccc1C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@@H](O)CC2)C1 ZINC000244788104 474566969 /nfs/dbraw/zinc/56/69/69/474566969.db2.gz QJKXLSFRIWAHJP-NUJGCVRESA-N 1 1 348.462 2.623 50 0 EFAAMO Cc1c(NC(=O)C[N@H+](C)C[C@]2(c3ccccc3)CC2(C)C)cnn1C ZINC000244866522 474568441 /nfs/dbraw/zinc/56/84/41/474568441.db2.gz VXPUFMBTFUPLRU-FQEVSTJZSA-N 1 1 340.471 2.967 50 0 EFAAMO Cc1c(NC(=O)C[N@@H+](C)C[C@]2(c3ccccc3)CC2(C)C)cnn1C ZINC000244866522 474568448 /nfs/dbraw/zinc/56/84/48/474568448.db2.gz VXPUFMBTFUPLRU-FQEVSTJZSA-N 1 1 340.471 2.967 50 0 EFAAMO C(C[N@H+]1C[C@H]2CC[C@@H]1C2)N1CCC(Cc2noc(C3CC3)n2)CC1 ZINC000244894078 474568901 /nfs/dbraw/zinc/56/89/01/474568901.db2.gz YZNGXHNBVCVYGJ-DOTOQJQBSA-N 1 1 330.476 2.686 50 0 EFAAMO Cc1nccn1CCC[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000252478173 474664719 /nfs/dbraw/zinc/66/47/19/474664719.db2.gz AFDGSOPJLDPBJW-LJQANCHMSA-N 1 1 325.412 2.692 50 0 EFAAMO Cc1ccc(NC(=O)C[NH+]2CCC([C@@H](O)c3ccccn3)CC2)cc1 ZINC000252482680 474667926 /nfs/dbraw/zinc/66/79/26/474667926.db2.gz DLYFKUQPOOYUIR-HXUWFJFHSA-N 1 1 339.439 2.774 50 0 EFAAMO Cn1ccc(NC(=O)C[N@H+](Cc2ccccn2)C2CCCCC2)n1 ZINC000252485514 474671538 /nfs/dbraw/zinc/67/15/38/474671538.db2.gz GXLJAZKWCZCQCV-UHFFFAOYSA-N 1 1 327.432 2.589 50 0 EFAAMO Cn1ccc(NC(=O)C[N@@H+](Cc2ccccn2)C2CCCCC2)n1 ZINC000252485514 474671546 /nfs/dbraw/zinc/67/15/46/474671546.db2.gz GXLJAZKWCZCQCV-UHFFFAOYSA-N 1 1 327.432 2.589 50 0 EFAAMO COc1coc(C[N@H+]2CCCC[C@@H]2CCn2ccnc2C)cc1=O ZINC000252494892 474679084 /nfs/dbraw/zinc/67/90/84/474679084.db2.gz OHLUQPWGXXDGEN-OAHLLOKOSA-N 1 1 331.416 2.598 50 0 EFAAMO C[N@@H+](CC(=O)Nc1ccc(Cl)cn1)C[C@H]1Cc2ccccc2O1 ZINC000252507766 474685114 /nfs/dbraw/zinc/68/51/14/474685114.db2.gz WTPGAKKLCDWLCF-CQSZACIVSA-N 1 1 331.803 2.609 50 0 EFAAMO C[N@H+](CC(=O)Nc1ccc(Cl)cn1)C[C@H]1Cc2ccccc2O1 ZINC000252507766 474685120 /nfs/dbraw/zinc/68/51/20/474685120.db2.gz WTPGAKKLCDWLCF-CQSZACIVSA-N 1 1 331.803 2.609 50 0 EFAAMO CC(C)C[N@H+]1CCN(Cc2cncn2C2CCCCC2)C[C@H]1CCO ZINC000252509476 474686846 /nfs/dbraw/zinc/68/68/46/474686846.db2.gz YOMXKHWOOZQTQH-LJQANCHMSA-N 1 1 348.535 2.913 50 0 EFAAMO CC(C)Cc1cc(C(=O)N(C)C[C@H]2CCC[N@H+]3CCCC[C@@H]23)[nH]n1 ZINC000299754478 476150831 /nfs/dbraw/zinc/15/08/31/476150831.db2.gz VPXZLXSEMWRTJR-QAPCUYQASA-N 1 1 332.492 2.945 50 0 biogenic EFAAMO CC(C)Cc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+]3CCCC[C@@H]23)n[nH]1 ZINC000299754478 476150840 /nfs/dbraw/zinc/15/08/40/476150840.db2.gz VPXZLXSEMWRTJR-QAPCUYQASA-N 1 1 332.492 2.945 50 0 biogenic EFAAMO CC(C)Cc1cc(C(=O)N(C)C[C@H]2CCC[N@H+]3CCCC[C@@H]23)n[nH]1 ZINC000299754478 476150846 /nfs/dbraw/zinc/15/08/46/476150846.db2.gz VPXZLXSEMWRTJR-QAPCUYQASA-N 1 1 332.492 2.945 50 0 biogenic EFAAMO CC(C)c1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ncn1 ZINC000390909865 476807644 /nfs/dbraw/zinc/80/76/44/476807644.db2.gz VOEHKVGSKFWELE-SFHVURJKSA-N 1 1 340.471 3.303 50 0 EFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(-c2cnc(N)c(C)c2)c1 ZINC000426370897 477706397 /nfs/dbraw/zinc/70/63/97/477706397.db2.gz BSLUOSYOVLFNAI-GOSISDBHSA-N 1 1 338.455 2.853 50 0 EFAAMO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)c2cncc(F)c2)C1 ZINC000426547550 477718796 /nfs/dbraw/zinc/71/87/96/477718796.db2.gz DZQRMBKBHJGUOD-HNNXBMFYSA-N 1 1 327.403 2.748 50 0 EFAAMO Nc1cccnc1-c1ccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC000426551105 477720503 /nfs/dbraw/zinc/72/05/03/477720503.db2.gz LBXNQMQVFQWIFQ-KRWDZBQOSA-N 1 1 336.439 2.641 50 0 EFAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)c2cccc(-c3cncnc3)c2)C1 ZINC000426589964 477724007 /nfs/dbraw/zinc/72/40/07/477724007.db2.gz LCFZEOZGQYRLIZ-HNNXBMFYSA-N 1 1 336.439 2.842 50 0 EFAAMO Cc1[nH+]c(N)ccc1-c1ccc(C(=O)N[C@@H](C)CCn2cccn2)cc1 ZINC000426597443 477725141 /nfs/dbraw/zinc/72/51/41/477725141.db2.gz UXUMHFJBIFGZDM-AWEZNQCLSA-N 1 1 349.438 3.044 50 0 EFAAMO CC[N@@H+]1CCC[C@H]1CSc1nnc(CN)n1-c1ccccc1C ZINC000426693862 477738142 /nfs/dbraw/zinc/73/81/42/477738142.db2.gz UIQURJDIVCJMMP-AWEZNQCLSA-N 1 1 331.489 2.611 50 0 EFAAMO CC[N@H+]1CCC[C@H]1CSc1nnc(CN)n1-c1ccccc1C ZINC000426693862 477738149 /nfs/dbraw/zinc/73/81/49/477738149.db2.gz UIQURJDIVCJMMP-AWEZNQCLSA-N 1 1 331.489 2.611 50 0 EFAAMO CC[NH+](CC)CC1(NC(=O)N(C)Cc2nc3ccc(C)cc3[nH]2)CC1 ZINC000534645379 478165958 /nfs/dbraw/zinc/16/59/58/478165958.db2.gz IFQWCVAYUMEFKH-UHFFFAOYSA-N 1 1 343.475 2.887 50 0 EFAAMO Cc1c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)ccn1C ZINC000534664709 478168298 /nfs/dbraw/zinc/16/82/98/478168298.db2.gz UILLJPGOZZUFID-MRXNPFEDSA-N 1 1 329.419 2.867 50 0 EFAAMO Cc1c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)ccn1C ZINC000534664709 478168308 /nfs/dbraw/zinc/16/83/08/478168308.db2.gz UILLJPGOZZUFID-MRXNPFEDSA-N 1 1 329.419 2.867 50 0 EFAAMO Cc1[nH+]ccn1CCNC(=O)C[C@@H](c1ccsc1)n1cccc1 ZINC000524732736 478391027 /nfs/dbraw/zinc/39/10/27/478391027.db2.gz YHDZGZREVDPGDK-INIZCTEOSA-N 1 1 328.441 2.850 50 0 EFAAMO O=C(CCc1cc(Cl)no1)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000503908700 478848295 /nfs/dbraw/zinc/84/82/95/478848295.db2.gz NPMQPPQFHYFFTO-TZMCWYRMSA-N 1 1 325.840 2.641 50 0 EFAAMO CN(Cc1n[nH]c2c1CCCCC2)C(=O)NCCC[NH+]1CCCCC1 ZINC000584896681 479274522 /nfs/dbraw/zinc/27/45/22/479274522.db2.gz WWEWVCPDZBCWTN-UHFFFAOYSA-N 1 1 347.507 2.696 50 0 EFAAMO CC(C)[N@H+]1CCO[C@@H](CC(=O)N(C)Cc2cnc3ccccc3c2)C1 ZINC000584900469 479276940 /nfs/dbraw/zinc/27/69/40/479276940.db2.gz NFFNDNNLRIORKF-SFHVURJKSA-N 1 1 341.455 2.693 50 0 EFAAMO CCc1[nH+]ccn1CCC(=O)NCc1nc2cc(Cl)ccc2[nH]1 ZINC000584904040 479278060 /nfs/dbraw/zinc/27/80/60/479278060.db2.gz MVRABUGNGUQVJJ-UHFFFAOYSA-N 1 1 331.807 2.682 50 0 EFAAMO CC[N@H+]1CCCC[C@H]1CNC(=O)COc1ccc(F)c(Cl)c1 ZINC000244742184 535503716 /nfs/dbraw/zinc/50/37/16/535503716.db2.gz ODDKEMWZGNKTRP-LBPRGKRZSA-N 1 1 328.815 2.849 50 0 EFAAMO CN(CCc1ccncc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000215517546 536411958 /nfs/dbraw/zinc/41/19/58/536411958.db2.gz RUPNQXKNFGZIDU-QGZVFWFLSA-N 1 1 327.428 2.588 50 0 EFAAMO COC[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(CN2CCN(C)CC2)c1C ZINC000216396001 536765696 /nfs/dbraw/zinc/76/56/96/536765696.db2.gz CAOJDHVONXNGLM-NRFANRHFSA-N 1 1 345.531 2.662 50 0 EFAAMO COC[C@@H]1CCC[N@H+]1Cc1cc(C)cc(CN2CCN(C)CC2)c1C ZINC000216396001 536765698 /nfs/dbraw/zinc/76/56/98/536765698.db2.gz CAOJDHVONXNGLM-NRFANRHFSA-N 1 1 345.531 2.662 50 0 EFAAMO CCOc1ccc(C[N@H+]2CC[C@H](CC(=O)NC)C2)c(OCC)c1C ZINC000670452705 547492359 /nfs/dbraw/zinc/49/23/59/547492359.db2.gz NGPNTWPWIHJNPK-OAHLLOKOSA-N 1 1 334.460 2.750 50 0 EFAAMO COCC[N@H+]1CC[C@H](c2ncnn2-c2cccc(C(F)(F)F)c2)C1 ZINC000670472134 547495836 /nfs/dbraw/zinc/49/58/36/547495836.db2.gz SQPSBEDPVDVYDS-LBPRGKRZSA-N 1 1 340.349 2.722 50 0 EFAAMO CCc1oc(C(N)=O)cc1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000670471221 547495996 /nfs/dbraw/zinc/49/59/96/547495996.db2.gz VOWFIGXRKCCECC-UHFFFAOYSA-N 1 1 327.428 2.653 50 0 EFAAMO CC[N@H+](CCCc1ccc(C)nc1)Cc1c(CO)cnc(C)c1O ZINC000685944860 550197408 /nfs/dbraw/zinc/19/74/08/550197408.db2.gz DQUNGHFYCDMICK-UHFFFAOYSA-N 1 1 329.444 2.746 50 0 EFAAMO CC[N@@H+](CCCc1ccc(C)nc1)Cc1c(CO)cnc(C)c1O ZINC000685944860 550197410 /nfs/dbraw/zinc/19/74/10/550197410.db2.gz DQUNGHFYCDMICK-UHFFFAOYSA-N 1 1 329.444 2.746 50 0 EFAAMO C[N@H+]1CCOC[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000230539109 564051119 /nfs/dbraw/zinc/05/11/19/564051119.db2.gz GNXAEKSBPGHVLU-QGZVFWFLSA-N 1 1 338.451 2.513 50 0 EFAAMO Cc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000169752333 564100121 /nfs/dbraw/zinc/10/01/21/564100121.db2.gz PSTBTKUKUONHQB-HNNXBMFYSA-N 1 1 338.411 2.777 50 0 EFAAMO Cc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000169752333 564100122 /nfs/dbraw/zinc/10/01/22/564100122.db2.gz PSTBTKUKUONHQB-HNNXBMFYSA-N 1 1 338.411 2.777 50 0 EFAAMO CC(C)C[N@H+]1CCCN(c2nnc(CSc3ccncc3)o2)CC1 ZINC001772704653 1249287601 /nfs/dbraw/zinc/28/76/01/1249287601.db2.gz 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340.471 2.525 50 0 EFAAMO CCCc1cc(=O)[nH]c(-c2ccc(C[N@@H+](C)[C@@H]3CCN(C)C3)cc2)n1 ZINC000019720847 212058628 /nfs/dbraw/zinc/05/86/28/212058628.db2.gz DAAYISBRFQWXRB-GOSISDBHSA-N 1 1 340.471 2.525 50 0 EFAAMO COc1ccc([C@@H](O)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000019707065 212055430 /nfs/dbraw/zinc/05/54/30/212055430.db2.gz CUWKFBOJUXTVAS-WOJBJXKFSA-N 1 1 327.424 2.845 50 0 EFAAMO C[C@H]1CCC[N@@H+](CCC(=O)N(C)Cc2ccc(-n3cccn3)cc2)C1 ZINC000019633234 212053265 /nfs/dbraw/zinc/05/32/65/212053265.db2.gz YFXNVTJOXWYDSS-KRWDZBQOSA-N 1 1 340.471 2.953 50 0 EFAAMO C[N@H+]1CCN(Cc2ccc(OCc3ccccc3)cc2)C[C@@H]1CCO ZINC000019642027 212052571 /nfs/dbraw/zinc/05/25/71/212052571.db2.gz RGPGXMFZEAIJGX-FQEVSTJZSA-N 1 1 340.467 2.764 50 0 EFAAMO CN1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C[C@@H]1CCO ZINC000019642027 212052572 /nfs/dbraw/zinc/05/25/72/212052572.db2.gz RGPGXMFZEAIJGX-FQEVSTJZSA-N 1 1 340.467 2.764 50 0 EFAAMO CN1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C[C@@H]1CCO ZINC000019642027 212052576 /nfs/dbraw/zinc/05/25/76/212052576.db2.gz RGPGXMFZEAIJGX-FQEVSTJZSA-N 1 1 340.467 2.764 50 0 EFAAMO COc1cccc([C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000049420879 214007252 /nfs/dbraw/zinc/00/72/52/214007252.db2.gz AXLTZXBVULPBIT-IBGZPJMESA-N 1 1 330.403 2.690 50 0 EFAAMO CC(C)c1csc(C[NH+]2CCC(n3cc(C[C@@H](C)O)nn3)CC2)n1 ZINC000019148596 212002228 /nfs/dbraw/zinc/00/22/28/212002228.db2.gz VZDAMXDALBQCMA-CYBMUJFWSA-N 1 1 349.504 2.618 50 0 EFAAMO CCOCC[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000111798427 220193318 /nfs/dbraw/zinc/19/33/18/220193318.db2.gz VWCISIGXCVJXDG-AWEZNQCLSA-N 1 1 339.867 2.765 50 0 EFAAMO C[NH+]1CCN(C(=O)c2cccc(NC(=O)Nc3ccccc3)c2)CC1 ZINC000014554138 211745093 /nfs/dbraw/zinc/74/50/93/211745093.db2.gz TWYPSTQIUMEOHP-UHFFFAOYSA-N 1 1 338.411 2.718 50 0 EFAAMO O=C(CCc1ccc2c(c1)CCO2)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000085876202 217686055 /nfs/dbraw/zinc/68/60/55/217686055.db2.gz UHDLBSVWLKMWNJ-RBUKOAKNSA-N 1 1 342.483 2.935 50 0 biogenic EFAAMO Cc1[nH+]ccn1[C@@H](C)C(=O)N(C)CCc1nc2c(cccc2C)[nH]1 ZINC000426399459 247276377 /nfs/dbraw/zinc/27/63/77/247276377.db2.gz UDVTVVYLEDWZCC-ZDUSSCGKSA-N 1 1 325.416 2.638 50 0 EFAAMO COc1cc(OC)nc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)n1 ZINC000426477442 247285730 /nfs/dbraw/zinc/28/57/30/247285730.db2.gz TVBMARBOFHNCFD-CYBMUJFWSA-N 1 1 329.400 2.554 50 0 EFAAMO CO[C@]12CC[N@@H+](Cc3[nH]cnc3C)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426491398 247287210 /nfs/dbraw/zinc/28/72/10/247287210.db2.gz IGPLYHLTFAXFHP-HHXXYDBFSA-N 1 1 342.443 2.704 50 0 EFAAMO COc1cc(C[N@H+]2CC[C@]3(OC)CC[C@H](OCCO)C[C@H]23)ccc1C ZINC000426571551 247291470 /nfs/dbraw/zinc/29/14/70/247291470.db2.gz CWSBLGVOQZLCOB-YSIASYRMSA-N 1 1 349.471 2.525 50 0 EFAAMO COc1ccc(CN(C)C(=O)[C@H](C)n2cc[nH+]c2C)c2cccnc12 ZINC000426727552 247293514 /nfs/dbraw/zinc/29/35/14/247293514.db2.gz VXKGEUQDOVRWHN-ZDUSSCGKSA-N 1 1 338.411 2.968 50 0 EFAAMO O=C(c1onc2c1CCCC2)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000426730425 247293704 /nfs/dbraw/zinc/29/37/04/247293704.db2.gz NYSICNPDAHCXSP-HZPDHXFCSA-N 1 1 343.471 2.890 50 0 EFAAMO Cc1cc(C(=O)N2CCC([C@@H]3CC[N@@H+](CC(C)(C)C)C3)CC2)[nH]n1 ZINC000012445239 211384061 /nfs/dbraw/zinc/38/40/61/211384061.db2.gz GKOTZKULKHCRTL-MRXNPFEDSA-N 1 1 332.492 2.938 50 0 EFAAMO Cc1cc(C(=O)N2CCC([C@@H]3CC[N@H+](CC(C)(C)C)C3)CC2)n[nH]1 ZINC000012445239 211384065 /nfs/dbraw/zinc/38/40/65/211384065.db2.gz GKOTZKULKHCRTL-MRXNPFEDSA-N 1 1 332.492 2.938 50 0 EFAAMO Cc1cc(C(=O)N2CCC([C@@H]3CC[N@@H+](CC(C)(C)C)C3)CC2)n[nH]1 ZINC000012445239 211384068 /nfs/dbraw/zinc/38/40/68/211384068.db2.gz GKOTZKULKHCRTL-MRXNPFEDSA-N 1 1 332.492 2.938 50 0 EFAAMO C[C@@H]1CCC[C@H]1OC[C@@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000012414239 211373852 /nfs/dbraw/zinc/37/38/52/211373852.db2.gz MNBQTFCXJCVEKS-JTDSTZFVSA-N 1 1 336.451 2.514 50 0 EFAAMO COc1cccc(CN2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1OC ZINC000012363340 211356195 /nfs/dbraw/zinc/35/61/95/211356195.db2.gz CNJDQQJIVOHZAX-IYBDPMFKSA-N 1 1 348.487 2.777 50 0 EFAAMO COc1cccc(C[NH+]2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)c1OC ZINC000012363340 211356197 /nfs/dbraw/zinc/35/61/97/211356197.db2.gz CNJDQQJIVOHZAX-IYBDPMFKSA-N 1 1 348.487 2.777 50 0 EFAAMO Cc1cc(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)[nH]n1 ZINC000012317664 211344391 /nfs/dbraw/zinc/34/43/91/211344391.db2.gz HEEPNDMDBQMXBZ-OAHLLOKOSA-N 1 1 330.407 2.594 50 0 EFAAMO Cc1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)[nH]n1 ZINC000012317664 211344396 /nfs/dbraw/zinc/34/43/96/211344396.db2.gz HEEPNDMDBQMXBZ-OAHLLOKOSA-N 1 1 330.407 2.594 50 0 EFAAMO Cc1cc(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)n[nH]1 ZINC000012317664 211344399 /nfs/dbraw/zinc/34/43/99/211344399.db2.gz HEEPNDMDBQMXBZ-OAHLLOKOSA-N 1 1 330.407 2.594 50 0 EFAAMO Cc1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)n[nH]1 ZINC000012317664 211344406 /nfs/dbraw/zinc/34/44/06/211344406.db2.gz HEEPNDMDBQMXBZ-OAHLLOKOSA-N 1 1 330.407 2.594 50 0 EFAAMO COc1cccc(C[C@@]2(CO)CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000012308103 211341881 /nfs/dbraw/zinc/34/18/81/211341881.db2.gz YITODVMWRVMZRP-FQEVSTJZSA-N 1 1 326.440 2.907 50 0 EFAAMO Cc1ccc(-c2n[nH]cc2C[NH2+]CCCN2CCC[C@@H](O)C2)cc1C ZINC000012307332 211341330 /nfs/dbraw/zinc/34/13/30/211341330.db2.gz DRDYGIRYFAPKLF-LJQANCHMSA-N 1 1 342.487 2.630 50 0 EFAAMO Cc1ccc(-c2n[nH]cc2CNCCC[N@@H+]2CCC[C@@H](O)C2)cc1C ZINC000012307332 211341333 /nfs/dbraw/zinc/34/13/33/211341333.db2.gz DRDYGIRYFAPKLF-LJQANCHMSA-N 1 1 342.487 2.630 50 0 EFAAMO Cc1ccc(-c2n[nH]cc2CNCCC[N@H+]2CCC[C@@H](O)C2)cc1C ZINC000012307332 211341337 /nfs/dbraw/zinc/34/13/37/211341337.db2.gz DRDYGIRYFAPKLF-LJQANCHMSA-N 1 1 342.487 2.630 50 0 EFAAMO O=C1CC[N@@H+](C[C@H]2CC=CCC2)CCN1CCOc1ccccc1 ZINC000012283281 211332612 /nfs/dbraw/zinc/33/26/12/211332612.db2.gz MIEQWOQBFKOGGH-SFHVURJKSA-N 1 1 328.456 2.956 50 0 EFAAMO Cn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccn3)C2)c2ccccc21 ZINC000012304321 211339297 /nfs/dbraw/zinc/33/92/97/211339297.db2.gz ONNZNRGLWLILOU-KRWDZBQOSA-N 1 1 348.450 2.968 50 0 EFAAMO Cn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccn3)C2)c2ccccc21 ZINC000012304321 211339300 /nfs/dbraw/zinc/33/93/00/211339300.db2.gz ONNZNRGLWLILOU-KRWDZBQOSA-N 1 1 348.450 2.968 50 0 EFAAMO O=C(CCN1CCCCO1)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012111934 211291937 /nfs/dbraw/zinc/29/19/37/211291937.db2.gz HRSUFQPCRLNLTB-SFHVURJKSA-N 1 1 337.508 2.565 50 0 EFAAMO CCc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cccc(OC)c3)C2)on1 ZINC000012054787 211285036 /nfs/dbraw/zinc/28/50/36/211285036.db2.gz PNBIUEAMJOZECZ-INIZCTEOSA-N 1 1 343.427 2.640 50 0 EFAAMO CCc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cccc(OC)c3)C2)on1 ZINC000012054787 211285039 /nfs/dbraw/zinc/28/50/39/211285039.db2.gz PNBIUEAMJOZECZ-INIZCTEOSA-N 1 1 343.427 2.640 50 0 EFAAMO CC(=O)N1CCC(C(=O)N[C@@H]2CCC[N@H+](C3CCCCCC3)C2)CC1 ZINC000012053238 211284034 /nfs/dbraw/zinc/28/40/34/211284034.db2.gz WZPWZSJVFAVYJK-GOSISDBHSA-N 1 1 349.519 2.548 50 0 EFAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(CCOc1cccc(C)c1C)C2 ZINC000091416472 218001876 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CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1CN1CCOCC1 ZINC000822718116 1265124836 /nfs/dbraw/zinc/12/48/36/1265124836.db2.gz ARFCTJRHEMHTCB-GOSISDBHSA-N 1 1 345.487 2.722 50 0 EFAAMO Cc1cc(C)c(C(=O)N[C@@H]2CCC[N@H+](C3CCCCCC3)C2)c(=O)[nH]1 ZINC000012208492 1265161717 /nfs/dbraw/zinc/16/17/17/1265161717.db2.gz ANYXOBQDKRZAIA-MRXNPFEDSA-N 1 1 345.487 2.909 50 0 EFAAMO CN(CC[N@@H+](C)C1CCCC1)C(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 ZINC000012597614 1265316725 /nfs/dbraw/zinc/31/67/25/1265316725.db2.gz BDSMFSUWPGLICC-MRXNPFEDSA-N 1 1 349.519 2.500 50 0 EFAAMO COc1ccnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000824835776 1266948616 /nfs/dbraw/zinc/94/86/16/1266948616.db2.gz SQVRTBWALDMRPR-CYBMUJFWSA-N 1 1 331.441 2.546 50 0 EFAAMO Cc1nc([C@H]2CCCCC[N@H+]2C)n(-c2ccc3c(c2)OCCO3)n1 ZINC000825273238 1267051394 /nfs/dbraw/zinc/05/13/94/1267051394.db2.gz GZCZGJFIAGXRTK-OAHLLOKOSA-N 1 1 328.416 2.894 50 0 EFAAMO Cc1nc([C@H]2CCCCC[N@@H+]2C)n(-c2ccc3c(c2)OCCO3)n1 ZINC000825273238 1267051406 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CC(C)[N@H+]1CCC[C@H](C(=O)NCCCc2nc3ccc(F)cc3[nH]2)C1 ZINC000095353488 218287205 /nfs/dbraw/zinc/28/72/05/218287205.db2.gz ISBTUSFCESFTFM-AWEZNQCLSA-N 1 1 346.450 2.871 50 0 EFAAMO COc1cccc(CCNC(=O)[C@@H](c2cccnc2)[NH+]2CCCC2)c1 ZINC000095354036 218288431 /nfs/dbraw/zinc/28/84/31/218288431.db2.gz JETBUDAESDASNN-LJQANCHMSA-N 1 1 339.439 2.586 50 0 EFAAMO O=C(c1ccc(CO)o1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095359421 218292693 /nfs/dbraw/zinc/29/26/93/218292693.db2.gz GPFDLEQNXXBSTR-IAGOWNOFSA-N 1 1 340.423 2.509 50 0 EFAAMO COc1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1Cn1cccn1 ZINC000095360404 218293225 /nfs/dbraw/zinc/29/32/25/218293225.db2.gz QOAWSSPRUJDHIQ-HXUWFJFHSA-N 1 1 341.455 2.943 50 0 EFAAMO C[C@H](C(=O)NCCSC(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000095360249 218293505 /nfs/dbraw/zinc/29/35/05/218293505.db2.gz KBRACEWFQZPRNO-LLVKDONJSA-N 1 1 332.391 2.802 50 0 EFAAMO C[C@H](C(=O)NCCSC(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000095360249 218293507 /nfs/dbraw/zinc/29/35/07/218293507.db2.gz KBRACEWFQZPRNO-LLVKDONJSA-N 1 1 332.391 2.802 50 0 EFAAMO Cc1nn(CCNC(=O)[C@@H](c2cccc(C)c2)[NH+](C)C)c(C)c1C ZINC000095355095 218289325 /nfs/dbraw/zinc/28/93/25/218289325.db2.gz UDQQXZFDFBSUNJ-GOSISDBHSA-N 1 1 328.460 2.536 50 0 EFAAMO O=C(Cc1cccc(O)c1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000095355341 218289644 /nfs/dbraw/zinc/28/96/44/218289644.db2.gz SILJFRFAZUFTAC-QZTJIDSGSA-N 1 1 328.456 2.658 50 0 EFAAMO CCN(Cc1nc(C)no1)C(=O)CC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000095357319 218290125 /nfs/dbraw/zinc/29/01/25/218290125.db2.gz UEKSPGADWUKZFV-JKSUJKDBSA-N 1 1 334.464 2.771 50 0 EFAAMO CCN(Cc1cnn(CC)c1)C(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000095356969 218290937 /nfs/dbraw/zinc/29/09/37/218290937.db2.gz KQFMIUNKFIKHGF-QGZVFWFLSA-N 1 1 332.423 2.694 50 0 EFAAMO CN(C)[C@@H](C(=O)NCCC[N@@H+](C)C1CCCC1)c1ccccc1F ZINC000095357153 218290974 /nfs/dbraw/zinc/29/09/74/218290974.db2.gz FWOCOWOKBFJUBV-GOSISDBHSA-N 1 1 335.467 2.809 50 0 EFAAMO CC[N@H+]1CCC[C@](C)(C(=O)NCCc2nc(C)c(Cl)s2)C1 ZINC000095367145 218299443 /nfs/dbraw/zinc/29/94/43/218299443.db2.gz VWKFKTVYWZWJOL-HNNXBMFYSA-N 1 1 329.897 2.886 50 0 EFAAMO O=C(CC[C@@H]1CCC[N@H+]2CCCC[C@H]12)NCCNc1cccnc1 ZINC000095360727 218294201 /nfs/dbraw/zinc/29/42/01/218294201.db2.gz KAFBRCSKLGOQPJ-FUHWJXTLSA-N 1 1 330.476 2.654 50 0 EFAAMO Cc1nn(CC(=O)N2CCCC[C@H]2CCn2cc[nH+]c2C)cc1Cl ZINC000095364436 218297189 /nfs/dbraw/zinc/29/71/89/218297189.db2.gz HXJOSRIPWAJLDL-HNNXBMFYSA-N 1 1 349.866 2.821 50 0 EFAAMO COc1ccc2c(c1)CC[N@H+](Cc1nnc(-c3cccnc3)o1)CC2 ZINC000095376685 218308682 /nfs/dbraw/zinc/30/86/82/218308682.db2.gz BTEOOAMNGUEUPF-UHFFFAOYSA-N 1 1 336.395 2.741 50 0 EFAAMO COc1ccc2c(ccn(Cc3[nH+]ccn3C(C)C)c2=O)c1OC ZINC000095375563 218308305 /nfs/dbraw/zinc/30/83/05/218308305.db2.gz PDRLTSLZQAZFCP-UHFFFAOYSA-N 1 1 327.384 2.844 50 0 EFAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCCn1ncc2ccccc21 ZINC000095370084 218302149 /nfs/dbraw/zinc/30/21/49/218302149.db2.gz DRGVOYNDIOXWTH-QGZVFWFLSA-N 1 1 328.460 2.807 50 0 EFAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCCCn1ncc2ccccc21 ZINC000095370085 218302180 /nfs/dbraw/zinc/30/21/80/218302180.db2.gz DRGVOYNDIOXWTH-KRWDZBQOSA-N 1 1 328.460 2.807 50 0 EFAAMO O=C(NCCSc1ccccn1)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095370309 218302559 /nfs/dbraw/zinc/30/25/59/218302559.db2.gz MDPCDVAOEDDLIC-HNNXBMFYSA-N 1 1 333.501 2.945 50 0 EFAAMO c1ccc(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3cccc4nonc43)C2)nc1 ZINC000095371108 218303652 /nfs/dbraw/zinc/30/36/52/218303652.db2.gz PHOXWYKLNNDCHY-MAUKXSAKSA-N 1 1 349.438 2.714 50 0 EFAAMO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2cccc4nonc42)C3)nc1 ZINC000095371108 218303653 /nfs/dbraw/zinc/30/36/53/218303653.db2.gz PHOXWYKLNNDCHY-MAUKXSAKSA-N 1 1 349.438 2.714 50 0 EFAAMO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(Cc2cccc4nonc42)C3)nc1 ZINC000095371108 218303654 /nfs/dbraw/zinc/30/36/54/218303654.db2.gz PHOXWYKLNNDCHY-MAUKXSAKSA-N 1 1 349.438 2.714 50 0 EFAAMO O=C(c1cccnc1)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000095371766 218304443 /nfs/dbraw/zinc/30/44/43/218304443.db2.gz FWWFJFIAGPZNIY-OXJNMPFZSA-N 1 1 347.462 2.785 50 0 EFAAMO Cc1ccccc1[C@H](C(=O)NCCCOc1cccnc1)[NH+](C)C ZINC000095373898 218306855 /nfs/dbraw/zinc/30/68/55/218306855.db2.gz VSWFPKZJCUHOGY-GOSISDBHSA-N 1 1 327.428 2.578 50 0 EFAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N(C)Cc1ccc2nonc2c1 ZINC000095378724 218311451 /nfs/dbraw/zinc/31/14/51/218311451.db2.gz CDZVIYFMPIDIRU-LBPRGKRZSA-N 1 1 327.388 2.762 50 0 EFAAMO COc1cccc2ccc(N3CCC([N@H+]4CCC[C@H](O)C4)CC3)nc21 ZINC000095379924 218312448 /nfs/dbraw/zinc/31/24/48/218312448.db2.gz KCJBOUBGDLMBFC-KRWDZBQOSA-N 1 1 341.455 2.669 50 0 EFAAMO Cc1ccnc(NCCNC(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)c1 ZINC000095380555 218312736 /nfs/dbraw/zinc/31/27/36/218312736.db2.gz VFGGYNDFKMMLMK-SFHVURJKSA-N 1 1 338.455 2.699 50 0 EFAAMO Cc1ccc([C@@H](C(=O)NCCCn2nccc2C2CC2)[NH+](C)C)cc1 ZINC000095380600 218312806 /nfs/dbraw/zinc/31/28/06/218312806.db2.gz IASGBORYAYRRSN-IBGZPJMESA-N 1 1 340.471 2.878 50 0 EFAAMO CC[N@H+]1CCC[C@@](C)(C(=O)NCCc2noc(-c3ccccc3)n2)C1 ZINC000095382536 218314358 /nfs/dbraw/zinc/31/43/58/218314358.db2.gz CWOLNHLCGIWIKF-LJQANCHMSA-N 1 1 342.443 2.517 50 0 EFAAMO Cc1cnn(CC2CCN(C(=O)CC[C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000095382196 218314576 /nfs/dbraw/zinc/31/45/76/218314576.db2.gz IMTMSTQSIDDOME-KRWDZBQOSA-N 1 1 332.492 2.552 50 0 EFAAMO Cc1nn(C)c(C)c1CN(C)C(=O)[C@H](c1ccccc1C)[NH+](C)C ZINC000095375958 218309181 /nfs/dbraw/zinc/30/91/81/218309181.db2.gz HHOBJUBJXBUCDR-SFHVURJKSA-N 1 1 328.460 2.607 50 0 EFAAMO Cc1ccccc1CSc1nc(N2CCC[C@@H](O)C2)cc(N)[nH+]1 ZINC000095388916 218320253 /nfs/dbraw/zinc/32/02/53/218320253.db2.gz IFPUBHCHRUEQSR-CQSZACIVSA-N 1 1 330.457 2.621 50 0 EFAAMO Cc1ccccc1CSc1nc(N)cc(N2CCC[C@@H](O)C2)[nH+]1 ZINC000095388916 218320255 /nfs/dbraw/zinc/32/02/55/218320255.db2.gz IFPUBHCHRUEQSR-CQSZACIVSA-N 1 1 330.457 2.621 50 0 EFAAMO O=C(CCc1cccnc1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000095388776 218320644 /nfs/dbraw/zinc/32/06/44/218320644.db2.gz ZMDAWAXWZJUXSU-RTBURBONSA-N 1 1 327.472 2.737 50 0 EFAAMO CCOC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095390351 218321636 /nfs/dbraw/zinc/32/16/36/218321636.db2.gz JBLCWTJWWJVPDS-GVDBMIGSSA-N 1 1 336.382 2.983 50 0 EFAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCCc1noc(C2CCCC2)n1 ZINC000095383297 218316120 /nfs/dbraw/zinc/31/61/20/218316120.db2.gz WPTOPQLAEZGWRW-HNNXBMFYSA-N 1 1 334.464 2.650 50 0 EFAAMO Cc1ccc([C@H]2CN(c3cc(C)nc(N)n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095384822 218316505 /nfs/dbraw/zinc/31/65/05/218316505.db2.gz KNPKSPVVSGPYER-MISYRCLQSA-N 1 1 349.482 2.742 50 0 EFAAMO Cc1n[nH]c(C)c1CCN(C)C(=O)[C@H](c1ccccc1C)[NH+](C)C ZINC000095386092 218317973 /nfs/dbraw/zinc/31/79/73/218317973.db2.gz CQPSVCPBLSYADZ-SFHVURJKSA-N 1 1 328.460 2.639 50 0 EFAAMO Cc1ccsc1CCNC(=O)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000095386260 218318154 /nfs/dbraw/zinc/31/81/54/218318154.db2.gz GLWLVJQJTBCBJY-QGZVFWFLSA-N 1 1 329.469 2.947 50 0 EFAAMO COc1cccc(C[NH2+]Cc2ccco2)c1OCC(=O)NC(C)(C)C ZINC000004999695 210356250 /nfs/dbraw/zinc/35/62/50/210356250.db2.gz RZAZLALCJQVAPC-UHFFFAOYSA-N 1 1 346.427 2.872 50 0 EFAAMO COCC[N@H+]1CCC[C@H](C(=O)NCc2ccc3c(c2)CCCC3)C1 ZINC000097294916 219009735 /nfs/dbraw/zinc/00/97/35/219009735.db2.gz RKAZSOGQCQXATG-IBGZPJMESA-N 1 1 330.472 2.540 50 0 EFAAMO Cc1c(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)c2cc(O)ccc2n1C ZINC000097259199 219006189 /nfs/dbraw/zinc/00/61/89/219006189.db2.gz NPZQCXNEUGCKPQ-SFHVURJKSA-N 1 1 349.434 2.979 50 0 EFAAMO Cc1cc(=O)n2c(n1)NC(NCc1ccccc1)=[NH+][C@H]2c1ccccc1 ZINC000004814206 210284919 /nfs/dbraw/zinc/28/49/19/210284919.db2.gz NQRYQBNILYHWHG-GOSISDBHSA-N 1 1 345.406 2.670 50 0 EFAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@H](c3nnc(CO)n3C)C2)s1 ZINC000097492558 219029859 /nfs/dbraw/zinc/02/98/59/219029859.db2.gz LFAWBSDTDWXLHZ-AWEZNQCLSA-N 1 1 348.516 2.947 50 0 EFAAMO O=C(c1cccc(Cn2cccn2)c1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000097499497 219030352 /nfs/dbraw/zinc/03/03/52/219030352.db2.gz LLMTZERBZHABLO-HXUWFJFHSA-N 1 1 346.434 2.718 50 0 EFAAMO C[C@@H]1CCCCN1C1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000097499668 219030602 /nfs/dbraw/zinc/03/06/02/219030602.db2.gz AVPHLJXAZSNQBD-QGZVFWFLSA-N 1 1 341.499 2.981 50 0 EFAAMO O=C(c1cccc(Cn2cccn2)c1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000097499496 219030857 /nfs/dbraw/zinc/03/08/57/219030857.db2.gz LLMTZERBZHABLO-FQEVSTJZSA-N 1 1 346.434 2.718 50 0 EFAAMO CC[C@@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1ccc(Cl)cc1 ZINC000004748558 210268842 /nfs/dbraw/zinc/26/88/42/210268842.db2.gz VLWDWSPDVONSJP-SNVBAGLBSA-N 1 1 337.836 2.804 50 0 EFAAMO Cc1cccc(OCCCN(C)C(=O)NC[C@H]2CCCC[N@H+]2C)c1 ZINC000426420762 257969250 /nfs/dbraw/zinc/96/92/50/257969250.db2.gz PITLIZPXMDDGTA-QGZVFWFLSA-N 1 1 333.476 2.890 50 0 EFAAMO CC(C)CCc1cc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)[nH]n1 ZINC000334160884 258016728 /nfs/dbraw/zinc/01/67/28/258016728.db2.gz ODADKPKOSPDBQD-YJBOKZPZSA-N 1 1 332.492 2.993 50 0 EFAAMO CN(C[C@@H]1CCCC[N@H+]1C)C(=O)c1cc(Cc2ccc(F)cc2)no1 ZINC000299771140 258083443 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COc1cccc(C[C@]2(CO)CCC[N@@H+](Cc3cn(C)nc3C)C2)c1 ZINC000012711153 471792097 /nfs/dbraw/zinc/79/20/97/471792097.db2.gz DNMBIYAEHHXMOT-HXUWFJFHSA-N 1 1 343.471 2.554 50 0 EFAAMO O=C(C[C@@H]1[NH2+][C@@H]2CCCC[C@@H]2NC1=O)Nc1cccc2ccccc21 ZINC000013942783 471845013 /nfs/dbraw/zinc/84/50/13/471845013.db2.gz XTSQBPYKRQYRGP-SQNIBIBYSA-N 1 1 337.423 2.568 50 0 EFAAMO c1ccc(-c2nnc3n2CC[N@H+](Cc2ccc4c(c2)CCO4)CC3)cc1 ZINC000015003730 471885128 /nfs/dbraw/zinc/88/51/28/471885128.db2.gz UQDMGCISZAZVOU-UHFFFAOYSA-N 1 1 346.434 2.938 50 0 EFAAMO C[N@@H+](C[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O)C1CCCCC1 ZINC000015061895 471887660 /nfs/dbraw/zinc/88/76/60/471887660.db2.gz OWRUKVOHGJXBFG-HXUWFJFHSA-N 1 1 348.462 2.944 50 0 EFAAMO CC[N@H+]1CCC[C@H](CN(C)C(=O)c2cn(CC3CCCCC3)nn2)C1 ZINC000015070807 471887739 /nfs/dbraw/zinc/88/77/39/471887739.db2.gz UBQHFJQJTXHCBH-QGZVFWFLSA-N 1 1 347.507 2.662 50 0 EFAAMO Cc1ncoc1C(=O)N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000015069675 471888141 /nfs/dbraw/zinc/88/81/41/471888141.db2.gz ZXGWGHUQCNWLKQ-KRWDZBQOSA-N 1 1 327.428 2.810 50 0 EFAAMO CSc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000015076986 471888982 /nfs/dbraw/zinc/88/89/82/471888982.db2.gz SFFPWBSMJLHATP-MRXNPFEDSA-N 1 1 347.528 2.697 50 0 EFAAMO CSc1ccc(C(=O)N[C@@H]2CCC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000015076986 471888986 /nfs/dbraw/zinc/88/89/86/471888986.db2.gz SFFPWBSMJLHATP-MRXNPFEDSA-N 1 1 347.528 2.697 50 0 EFAAMO O[C@H](COCc1ccccc1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019809561 471985197 /nfs/dbraw/zinc/98/51/97/471985197.db2.gz YWPZLCUKMWLIJV-SFHVURJKSA-N 1 1 344.430 2.525 50 0 EFAAMO C[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020514583 471990679 /nfs/dbraw/zinc/99/06/79/471990679.db2.gz HVPCHFGWXWDQQT-MRXNPFEDSA-N 1 1 333.451 2.596 50 0 EFAAMO CCC(=O)Nc1ccc(Nc2cc(N3CCOCC3)nc(C)[nH+]2)cc1 ZINC000021794395 472004008 /nfs/dbraw/zinc/00/40/08/472004008.db2.gz NMIXEBJNPVNDSC-UHFFFAOYSA-N 1 1 341.415 2.714 50 0 EFAAMO CC(C)(C)c1ccc(/C=C/C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000022063859 472008733 /nfs/dbraw/zinc/00/87/33/472008733.db2.gz VDIKGFQDVXYXEK-JXMROGBWSA-N 1 1 330.472 2.836 50 0 EFAAMO Cc1c[nH+]c(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)nc1N ZINC000067727035 472079662 /nfs/dbraw/zinc/07/96/62/472079662.db2.gz SFFNPPQRKJLKAO-ZWKOTPCHSA-N 1 1 334.423 2.875 50 0 EFAAMO Cc1cccc2nc([C@@H]3CCCN3c3cc(CC[NH3+])nc(C)n3)[nH]c21 ZINC000067741574 472081543 /nfs/dbraw/zinc/08/15/43/472081543.db2.gz CXHQSYSVILNAQB-INIZCTEOSA-N 1 1 336.443 2.812 50 0 EFAAMO COC(=O)c1cccc(C[N@@H+]2CCN(c3ccccc3C)C[C@H]2C)n1 ZINC000067847088 472097590 /nfs/dbraw/zinc/09/75/90/472097590.db2.gz GZBSQNUEYPISKT-MRXNPFEDSA-N 1 1 339.439 2.887 50 0 EFAAMO COC(=O)c1cccc(C[N@H+]2CCN(c3ccccc3C)C[C@H]2C)n1 ZINC000067847088 472097594 /nfs/dbraw/zinc/09/75/94/472097594.db2.gz GZBSQNUEYPISKT-MRXNPFEDSA-N 1 1 339.439 2.887 50 0 EFAAMO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@H+]1CCC(=O)NC[C@@H]1C ZINC000067934949 472111500 /nfs/dbraw/zinc/11/15/00/472111500.db2.gz HNYAXRAQHVNYJO-JTQLQIEISA-N 1 1 335.354 2.639 50 0 EFAAMO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@@H+]1CCC(=O)NC[C@@H]1C ZINC000067934949 472111505 /nfs/dbraw/zinc/11/15/05/472111505.db2.gz HNYAXRAQHVNYJO-JTQLQIEISA-N 1 1 335.354 2.639 50 0 EFAAMO CC(C)(C)OC(=O)N1CCN(c2ccc(N)c3c[nH+]ccc32)CC1 ZINC000026423270 472135738 /nfs/dbraw/zinc/13/57/38/472135738.db2.gz JHKLYRQPVMQZIM-UHFFFAOYSA-N 1 1 328.416 2.874 50 0 EFAAMO COc1ccccc1[C@@H](CNC(=O)COc1ccc(F)cc1)[NH+](C)C ZINC000027794401 472197046 /nfs/dbraw/zinc/19/70/46/472197046.db2.gz KRQHZMBZTRVEIU-QGZVFWFLSA-N 1 1 346.402 2.632 50 0 EFAAMO Cn1cc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000069454081 472347341 /nfs/dbraw/zinc/34/73/41/472347341.db2.gz PLHQDJNAVFKZIO-MOPGFXCFSA-N 1 1 338.455 2.689 50 0 EFAAMO C[NH+]1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000031865336 472399362 /nfs/dbraw/zinc/39/93/62/472399362.db2.gz NPKDFCKKBVNENF-UHFFFAOYSA-N 1 1 335.860 2.780 50 0 EFAAMO CSc1ccc(-c2noc(C[NH+]3CCC4(CC3)OCCO4)n2)cc1 ZINC000057427611 472433198 /nfs/dbraw/zinc/43/31/98/472433198.db2.gz NKAAUFZYRJMGHC-UHFFFAOYSA-N 1 1 347.440 2.797 50 0 EFAAMO C[C@H]1CCC[N@@H+](CCCNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000045744832 472452070 /nfs/dbraw/zinc/45/20/70/472452070.db2.gz CJQBTPWSVBVDMB-ZDUSSCGKSA-N 1 1 330.881 2.740 50 0 EFAAMO Cc1ccc(NC[C@@H]2CC[N@@H+](CCC(=O)NC3CCCC3)C2)nc1 ZINC000097200527 472476908 /nfs/dbraw/zinc/47/69/08/472476908.db2.gz DWMCIPNCNVHROJ-INIZCTEOSA-N 1 1 330.476 2.573 50 0 EFAAMO COc1ccc(OC2CCN(C(=O)[C@H]3CCCCC[N@H+]3C)CC2)cc1 ZINC000077288144 472494456 /nfs/dbraw/zinc/49/44/56/472494456.db2.gz IPEIYMVBIBMERG-LJQANCHMSA-N 1 1 346.471 2.939 50 0 EFAAMO COc1ccc(OC)c(CC(=O)N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000077288215 472494825 /nfs/dbraw/zinc/49/48/25/472494825.db2.gz AFQJTIGTJPTQNK-UHFFFAOYSA-N 1 1 346.471 2.723 50 0 EFAAMO COCCN1C[C@@]2(CCC[N@@H+](Cc3ccccc3OC)C2)CCC1=O ZINC000077298604 472496460 /nfs/dbraw/zinc/49/64/60/472496460.db2.gz BRNAKSKZGSKJLO-FQEVSTJZSA-N 1 1 346.471 2.546 50 0 EFAAMO Cc1nn(C)cc1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000077322225 472502886 /nfs/dbraw/zinc/50/28/86/472502886.db2.gz FWBLLKGRQAXORM-UHFFFAOYSA-N 1 1 340.471 2.509 50 0 EFAAMO COc1ccc(/C=C/C[N@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000077322884 472503735 /nfs/dbraw/zinc/50/37/35/472503735.db2.gz RKSYIBDCFITASG-VZSQWMKGSA-N 1 1 330.472 2.895 50 0 EFAAMO COc1cccc(-n2cc(CN(C)c3[nH+]cnc4[nH]ccc43)cn2)c1 ZINC000077320777 472504045 /nfs/dbraw/zinc/50/40/45/472504045.db2.gz JZLQOGHBUCTHMO-UHFFFAOYSA-N 1 1 334.383 2.789 50 0 EFAAMO COCc1cc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)ccc1OC ZINC000097694587 472504625 /nfs/dbraw/zinc/50/46/25/472504625.db2.gz MBGGRDLTUYVCFO-LJQANCHMSA-N 1 1 348.487 2.528 50 0 EFAAMO C[C@H](Cc1cnccn1)[N@@H+](C)Cc1cc(F)ccc1-n1cccn1 ZINC000097813689 472507926 /nfs/dbraw/zinc/50/79/26/472507926.db2.gz UKUQWOZEQRKNQS-CQSZACIVSA-N 1 1 325.391 2.864 50 0 EFAAMO CC(C)[N@H+]1CCO[C@@H](CC(=O)N(C)CCn2ccc3ccccc32)C1 ZINC000097797622 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CC(C)c1cc(C(=O)N[C@@H](C)C[N@H+]2CCc3ccccc3C2)on1 ZINC000091305593 472753901 /nfs/dbraw/zinc/75/39/01/472753901.db2.gz NIZFQEMFFYUPHO-AWEZNQCLSA-N 1 1 327.428 2.975 50 0 EFAAMO CSCc1noc(CN2C[C@H]3CC[C@H](C[N@@H+]3CC=C(C)C)C2)n1 ZINC000091350464 472759008 /nfs/dbraw/zinc/75/90/08/472759008.db2.gz HVQSUJGYHXFLFW-LSDHHAIUSA-N 1 1 336.505 2.795 50 0 EFAAMO CN(C)C[C@@H]1C[N@H+](Cc2ccc(OC3CCCC3)cc2)C[C@@H]1CO ZINC000091381473 472761866 /nfs/dbraw/zinc/76/18/66/472761866.db2.gz GSKPPLZWTPGXLU-QZTJIDSGSA-N 1 1 332.488 2.610 50 0 EFAAMO CN(C)C[C@@H]1C[N@@H+](Cc2ccc(OC3CCCC3)cc2)C[C@@H]1CO ZINC000091381473 472761871 /nfs/dbraw/zinc/76/18/71/472761871.db2.gz GSKPPLZWTPGXLU-QZTJIDSGSA-N 1 1 332.488 2.610 50 0 EFAAMO O=C(CCn1cccc1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000073229408 472787575 /nfs/dbraw/zinc/78/75/75/472787575.db2.gz RYCKORRRHBNLFP-UHFFFAOYSA-N 1 1 329.419 2.752 50 0 EFAAMO O=C(CCn1cccc1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000073229408 472787576 /nfs/dbraw/zinc/78/75/76/472787576.db2.gz 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Cc1cc(NCC[N@H+]2CCC[C@H](CO)C2)nc(-c2ccccc2)n1 ZINC000065409773 472936548 /nfs/dbraw/zinc/93/65/48/472936548.db2.gz RKGMXFOPHZMKFN-INIZCTEOSA-N 1 1 326.444 2.568 50 0 EFAAMO CC1(C)C[C@@H](CN2CC[NH+](C3Cc4ccccc4C3)CC2)CCO1 ZINC000065423912 472939959 /nfs/dbraw/zinc/93/99/59/472939959.db2.gz ASFOHLABEWKFRU-KRWDZBQOSA-N 1 1 328.500 2.977 50 0 EFAAMO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NCc1nc(-c2cccnc2)no1 ZINC000065461540 472946918 /nfs/dbraw/zinc/94/69/18/472946918.db2.gz WWOQXUJQAHQUCR-HNNXBMFYSA-N 1 1 349.438 2.668 50 0 EFAAMO C[C@@H](C[N@H+]1CCc2ccccc2C1)NCc1nc(-c2cccnc2)no1 ZINC000065461540 472946927 /nfs/dbraw/zinc/94/69/27/472946927.db2.gz WWOQXUJQAHQUCR-HNNXBMFYSA-N 1 1 349.438 2.668 50 0 EFAAMO C[C@@H](CN1CCc2ccccc2C1)[NH2+]Cc1nc(-c2cccnc2)no1 ZINC000065461540 472946933 /nfs/dbraw/zinc/94/69/33/472946933.db2.gz WWOQXUJQAHQUCR-HNNXBMFYSA-N 1 1 349.438 2.668 50 0 EFAAMO OC1CCN(c2cc[nH+]c(NCCc3ccccc3Cl)n2)CC1 ZINC000065491093 472954052 /nfs/dbraw/zinc/95/40/52/472954052.db2.gz 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50 0 EFAAMO CN(Cc1cc(C2CC2)n[nH]1)C(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000095354462 473191288 /nfs/dbraw/zinc/19/12/88/473191288.db2.gz GMJOGXHBVSOVSX-QGZVFWFLSA-N 1 1 330.407 2.688 50 0 EFAAMO Cn1c(CCCNC(=O)CC[C@H]2CCCC[N@H+]2C)nc2ccccc21 ZINC000095373071 473192419 /nfs/dbraw/zinc/19/24/19/473192419.db2.gz BLWYJMBJIPEGQK-MRXNPFEDSA-N 1 1 342.487 2.887 50 0 EFAAMO O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCOC2(CCCC2)C1 ZINC000151043618 473400626 /nfs/dbraw/zinc/40/06/26/473400626.db2.gz OYUVCAISZZNQLV-SFHVURJKSA-N 1 1 328.456 2.823 50 0 EFAAMO C[N@H+]1[C@H](CC(=O)c2ccccc2)C[C@@H](O)[C@@H]1CC(=O)c1ccccc1 ZINC000169615852 473547694 /nfs/dbraw/zinc/54/76/94/473547694.db2.gz CHZLLIURHLNVQA-LVCYWYKZSA-N 1 1 337.419 2.966 50 0 EFAAMO Cn1nc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000170613326 473566070 /nfs/dbraw/zinc/56/60/70/473566070.db2.gz BVNOCQFUEAJMIL-HOCLYGCPSA-N 1 1 326.444 2.568 50 0 EFAAMO Cc1ccoc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192218356 473650015 /nfs/dbraw/zinc/65/00/15/473650015.db2.gz LYHJVLFMPNTIRV-QGZVFWFLSA-N 1 1 328.412 2.609 50 0 EFAAMO C[N@H+]1CC[C@H]2CN(Cc3cnc(SCc4ccccc4)nc3)C[C@H]21 ZINC000215678292 474138983 /nfs/dbraw/zinc/13/89/83/474138983.db2.gz GMEXKWTZKBGYCG-ZWKOTPCHSA-N 1 1 340.496 2.905 50 0 EFAAMO COCCc1noc([C@H]2CCC[N@H+](Cc3ccncc3Cl)C2)n1 ZINC000215679810 474139012 /nfs/dbraw/zinc/13/90/12/474139012.db2.gz ZAHSROBBJYAJMF-ZDUSSCGKSA-N 1 1 336.823 2.687 50 0 EFAAMO COCCc1noc([C@H]2CCC[N@@H+](Cc3ccncc3Cl)C2)n1 ZINC000215679810 474139017 /nfs/dbraw/zinc/13/90/17/474139017.db2.gz ZAHSROBBJYAJMF-ZDUSSCGKSA-N 1 1 336.823 2.687 50 0 EFAAMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(OCC(N)=O)c(Cl)c2)C1 ZINC000215945250 474139896 /nfs/dbraw/zinc/13/98/96/474139896.db2.gz KIKCJEIPFCVZAQ-CQSZACIVSA-N 1 1 340.851 2.595 50 0 EFAAMO Cc1nn(CCNC(=O)[C@@H](c2ccccc2C)[NH+](C)C)c(C)c1C ZINC000219943308 474150875 /nfs/dbraw/zinc/15/08/75/474150875.db2.gz DUAIGGHHMAXKLD-GOSISDBHSA-N 1 1 328.460 2.536 50 0 EFAAMO Cc1n[nH]cc1CN(C)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000223085416 474178639 /nfs/dbraw/zinc/17/86/39/474178639.db2.gz KIUHGAVYEKCFDU-SFHVURJKSA-N 1 1 326.444 2.731 50 0 EFAAMO CC(C)[N@@H+](C)CC(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000223479392 474185124 /nfs/dbraw/zinc/18/51/24/474185124.db2.gz GYMRBIOKJGYCMZ-MKJPBZQASA-N 1 1 341.455 2.503 50 0 EFAAMO O=C(NCc1cccc2[nH]ccc21)C1([NH+]2CCOCC2)CCCCC1 ZINC000223741027 474190953 /nfs/dbraw/zinc/19/09/53/474190953.db2.gz MFIDAKHYWYVJAE-UHFFFAOYSA-N 1 1 341.455 2.819 50 0 EFAAMO O[C@H](C[N@H+]1CC[C@H](CNc2ccccn2)C1)c1ccc(F)c(F)c1 ZINC000225343272 474206934 /nfs/dbraw/zinc/20/69/34/474206934.db2.gz GFEUQYIYJZZJDC-CXAGYDPISA-N 1 1 333.382 2.827 50 0 EFAAMO O=C(C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)N[C@H]1CCCc2ccccc21 ZINC000247798132 474210705 /nfs/dbraw/zinc/21/07/05/474210705.db2.gz SMZKWMIYEZWTNL-APWZRJJASA-N 1 1 338.455 2.783 50 0 EFAAMO O=C(C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)N[C@H]1CCCc2ccccc21 ZINC000247798132 474210710 /nfs/dbraw/zinc/21/07/10/474210710.db2.gz SMZKWMIYEZWTNL-APWZRJJASA-N 1 1 338.455 2.783 50 0 EFAAMO CC[C@H](C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229221487 474250531 /nfs/dbraw/zinc/25/05/31/474250531.db2.gz ZHYNEJWYJYMVKD-SOUVJXGZSA-N 1 1 344.463 2.784 50 0 EFAAMO CC[C@H](C)n1nccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229221487 474250541 /nfs/dbraw/zinc/25/05/41/474250541.db2.gz ZHYNEJWYJYMVKD-SOUVJXGZSA-N 1 1 344.463 2.784 50 0 EFAAMO O=C([C@H](c1ccccc1)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)N1CCCC1 ZINC000229220045 474250888 /nfs/dbraw/zinc/25/08/88/474250888.db2.gz KEIWJERWWKHGBJ-MJGOQNOKSA-N 1 1 338.455 2.953 50 0 EFAAMO O=C(C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)N[C@@H]1CCCc2ccccc21 ZINC000229219705 474251122 /nfs/dbraw/zinc/25/11/22/474251122.db2.gz SMZKWMIYEZWTNL-VQIMIIECSA-N 1 1 338.455 2.783 50 0 EFAAMO O=C(C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)N[C@@H]1CCCc2ccccc21 ZINC000229219705 474251126 /nfs/dbraw/zinc/25/11/26/474251126.db2.gz SMZKWMIYEZWTNL-VQIMIIECSA-N 1 1 338.455 2.783 50 0 EFAAMO Cc1ccc(C[N@H+](C)CC(=O)N2CCC[C@H](Cn3ccnc3)C2)cc1 ZINC000230508117 474260579 /nfs/dbraw/zinc/26/05/79/474260579.db2.gz SQQVNTCTWJENPX-LJQANCHMSA-N 1 1 340.471 2.562 50 0 EFAAMO Cc1ccc(C[N@@H+](C)CC(=O)N2CCC[C@H](Cn3ccnc3)C2)cc1 ZINC000230508117 474260587 /nfs/dbraw/zinc/26/05/87/474260587.db2.gz SQQVNTCTWJENPX-LJQANCHMSA-N 1 1 340.471 2.562 50 0 EFAAMO O=C(C[N@H+]1CC[C@H](c2ccccc2)C1)N1CCC2(CCOCC2)CC1 ZINC000230481040 474261093 /nfs/dbraw/zinc/26/10/93/474261093.db2.gz ASTSLFCONZTWSC-IBGZPJMESA-N 1 1 342.483 2.895 50 0 EFAAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 ZINC000239402927 474545330 /nfs/dbraw/zinc/54/53/30/474545330.db2.gz RHMICHSDXWYFJU-NWDGAFQWSA-N 1 1 349.500 2.785 50 0 EFAAMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 ZINC000239402927 474545336 /nfs/dbraw/zinc/54/53/36/474545336.db2.gz RHMICHSDXWYFJU-NWDGAFQWSA-N 1 1 349.500 2.785 50 0 EFAAMO CC[C@H](C(=O)Nc1nccs1)N1CCC(Cn2cc[nH+]c2C)CC1 ZINC000240228063 474549299 /nfs/dbraw/zinc/54/92/99/474549299.db2.gz KFOJRQKSZGYMCU-OAHLLOKOSA-N 1 1 347.488 2.777 50 0 EFAAMO CC[C@@H](C(=O)Nc1nccs1)N1CCC(Cn2cc[nH+]c2C)CC1 ZINC000240228062 474549381 /nfs/dbraw/zinc/54/93/81/474549381.db2.gz KFOJRQKSZGYMCU-HNNXBMFYSA-N 1 1 347.488 2.777 50 0 EFAAMO Cc1noc(C)c1C(=O)NCC[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000243956754 474564087 /nfs/dbraw/zinc/56/40/87/474564087.db2.gz CDLKMSXHCQDLMJ-MRXNPFEDSA-N 1 1 327.428 2.819 50 0 EFAAMO COc1cccc(-n2cc(C[N@H+](C)CCn3cc(Cl)cn3)cn2)c1 ZINC000244898954 474567925 /nfs/dbraw/zinc/56/79/25/474567925.db2.gz ZEOKAJJNUVMVSU-UHFFFAOYSA-N 1 1 345.834 2.863 50 0 EFAAMO COc1cccc(-n2cc(C[N@@H+](C)CCn3cc(Cl)cn3)cn2)c1 ZINC000244898954 474567928 /nfs/dbraw/zinc/56/79/28/474567928.db2.gz ZEOKAJJNUVMVSU-UHFFFAOYSA-N 1 1 345.834 2.863 50 0 EFAAMO Cc1c(NC(=O)C[N@H+](C)C[C@@]2(c3ccccc3)CC2(C)C)cnn1C ZINC000244866523 474568233 /nfs/dbraw/zinc/56/82/33/474568233.db2.gz VXPUFMBTFUPLRU-HXUWFJFHSA-N 1 1 340.471 2.967 50 0 EFAAMO Cc1c(NC(=O)C[N@@H+](C)C[C@@]2(c3ccccc3)CC2(C)C)cnn1C ZINC000244866523 474568238 /nfs/dbraw/zinc/56/82/38/474568238.db2.gz VXPUFMBTFUPLRU-HXUWFJFHSA-N 1 1 340.471 2.967 50 0 EFAAMO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)CCn1nc(C)cc1C ZINC000244899603 474568268 /nfs/dbraw/zinc/56/82/68/474568268.db2.gz ZMSGPARVSIGOKN-GOSISDBHSA-N 1 1 344.459 2.858 50 0 EFAAMO O=C([C@H]1CC[C@@H](O)CC1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000244899520 474568346 /nfs/dbraw/zinc/56/83/46/474568346.db2.gz ZLALEWHZKMNADR-BGYRXZFFSA-N 1 1 344.499 2.705 50 0 EFAAMO Cc1[nH+]ccn1[C@@H](C)CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000252483492 474669985 /nfs/dbraw/zinc/66/99/85/474669985.db2.gz FCMVCTCMENRRBU-HNNXBMFYSA-N 1 1 337.427 2.687 50 0 EFAAMO COc1ccccc1CNC(=O)CC[N@H+]1CCC[C@@H]1c1nccs1 ZINC000252487705 474672399 /nfs/dbraw/zinc/67/23/99/474672399.db2.gz IAHGZCYBFFNIQK-OAHLLOKOSA-N 1 1 345.468 2.995 50 0 EFAAMO CC[NH+]1CCN(C(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)CC1 ZINC000252488632 474674872 /nfs/dbraw/zinc/67/48/72/474674872.db2.gz IVXICELXAKRBLY-HXUWFJFHSA-N 1 1 346.471 2.565 50 0 EFAAMO Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)C3CCC3)CC2)cc1C ZINC000252493422 474678580 /nfs/dbraw/zinc/67/85/80/474678580.db2.gz NBSYIXVARUJKMX-UHFFFAOYSA-N 1 1 343.471 2.576 50 0 EFAAMO COc1ccccc1CNC(=O)CC[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000252502430 474684339 /nfs/dbraw/zinc/68/43/39/474684339.db2.gz UQGOKURVUYJYBB-KRWDZBQOSA-N 1 1 343.427 2.835 50 0 EFAAMO C[C@@H]1CCCC[N@H+]1C1CN(Cc2cc(C(N)=O)oc2C(C)(C)C)C1 ZINC000252506619 474684854 /nfs/dbraw/zinc/68/48/54/474684854.db2.gz WBRPTIYOAVBWNG-CYBMUJFWSA-N 1 1 333.476 2.735 50 0 EFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](Cc1ccccc1)n1cccc1 ZINC000253408908 474741026 /nfs/dbraw/zinc/74/10/26/474741026.db2.gz LEXFSZZAGBNIPR-RTBURBONSA-N 1 1 325.456 2.872 50 0 EFAAMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cccc(Cl)c1C ZINC000348257358 475532399 /nfs/dbraw/zinc/53/23/99/475532399.db2.gz PMLFXMQUVMPVDJ-CYBMUJFWSA-N 1 1 330.881 2.801 50 0 EFAAMO COc1ccc(CC(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000299754412 476152210 /nfs/dbraw/zinc/15/22/10/476152210.db2.gz KQAXLJWXKSXUCN-HKUYNNGSSA-N 1 1 330.472 2.961 50 0 biogenic EFAAMO Cc1cc(C(=O)NCC[N@H+]2CC[C@@H](c3ccccc3C)C2)nc(C)n1 ZINC000299769730 476153178 /nfs/dbraw/zinc/15/31/78/476153178.db2.gz PNGLTVDJKPYZGB-QGZVFWFLSA-N 1 1 338.455 2.621 50 0 EFAAMO O=C(N1CCC[N@H+](C2CCCCC2)CC1)C1(Cn2ccnc2)CC1 ZINC000299773960 476153680 /nfs/dbraw/zinc/15/36/80/476153680.db2.gz GVADJJYZNVMZHP-UHFFFAOYSA-N 1 1 330.476 2.530 50 0 EFAAMO Cc1cnn(CCC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3C)C2)c1 ZINC000299774266 476154184 /nfs/dbraw/zinc/15/41/84/476154184.db2.gz FQJYDKOGHZPIDO-SFHVURJKSA-N 1 1 340.471 2.528 50 0 EFAAMO CCCC[N@H+]1CCn2nc(CNC(=O)Cc3ccccc3C)cc2C1 ZINC000299770278 476154497 /nfs/dbraw/zinc/15/44/97/476154497.db2.gz OZYRYYLUVRWSIC-UHFFFAOYSA-N 1 1 340.471 2.666 50 0 EFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@H](C)n1cccc1 ZINC000409414518 476984714 /nfs/dbraw/zinc/98/47/14/476984714.db2.gz UCGRUHILWDWMFV-GBESFXJTSA-N 1 1 347.503 2.789 50 0 biogenic EFAAMO CCCN(CCc1ccccc1)c1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000426401711 477706711 /nfs/dbraw/zinc/70/67/11/477706711.db2.gz JHLBJMDVTWSMLJ-INIZCTEOSA-N 1 1 326.444 3.022 50 0 EFAAMO C[N@H+]1CC[C@@H](CNC(=O)N2CCC(Cc3ccccc3F)CC2)C1 ZINC000426535190 477716586 /nfs/dbraw/zinc/71/65/86/477716586.db2.gz PHGZWUQJWHQDBD-INIZCTEOSA-N 1 1 333.451 2.742 50 0 EFAAMO c1csc(C[N@H+]2CCCN(c3cc([C@H]4CCOC4)ncn3)CC2)c1 ZINC000426533915 477717531 /nfs/dbraw/zinc/71/75/31/477717531.db2.gz XTRYFKIBWMRNHJ-HNNXBMFYSA-N 1 1 344.484 2.754 50 0 EFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)N(CCOC)Cc1ccccc1C ZINC000426548478 477719102 /nfs/dbraw/zinc/71/91/02/477719102.db2.gz IHKDMTBUWAQVNH-SFHVURJKSA-N 1 1 333.476 2.637 50 0 EFAAMO CN(Cc1ccc2nsnc2c1)C(=O)NCC[C@H]1CCCC[N@H+]1C ZINC000426618392 477728398 /nfs/dbraw/zinc/72/83/98/477728398.db2.gz TUIKAHLKMOIEHQ-CQSZACIVSA-N 1 1 347.488 2.707 50 0 EFAAMO OCCn1ccc([C@@H]2CCC[N@@H+](Cc3nc4ccccc4s3)C2)n1 ZINC000426647861 477733085 /nfs/dbraw/zinc/73/30/85/477733085.db2.gz CJOYBXFVMCGQID-CQSZACIVSA-N 1 1 342.468 2.865 50 0 EFAAMO O=C(N[C@@H]1CCCc2ccccc21)N1CCC([NH+]2CCOCC2)CC1 ZINC000426689009 477738829 /nfs/dbraw/zinc/73/88/29/477738829.db2.gz ABZUIDKWZFNNFE-LJQANCHMSA-N 1 1 343.471 2.570 50 0 EFAAMO C[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CCc1cccn1C ZINC000426712000 477741646 /nfs/dbraw/zinc/74/16/46/477741646.db2.gz HMLQEALGHOCJNC-MRXNPFEDSA-N 1 1 325.456 2.521 50 0 EFAAMO COc1ccc(-c2ccc(C(=O)NCC[C@H]3CCC[N@H+]3C)cc2)cn1 ZINC000426739846 477742945 /nfs/dbraw/zinc/74/29/45/477742945.db2.gz SVAAACGGLJWQTD-GOSISDBHSA-N 1 1 339.439 2.971 50 0 EFAAMO Cc1cc(C(=O)NC[C@H]2COCC[N@H+](C)C2)c2ccc(Cl)cc2n1 ZINC000426740394 477745494 /nfs/dbraw/zinc/74/54/94/477745494.db2.gz HBDOMRVCQRGVAP-CYBMUJFWSA-N 1 1 347.846 2.505 50 0 EFAAMO Cc1[nH+]ccn1CC1(CNC(=O)N(C)Cc2cnn(C(C)C)c2)CC1 ZINC000534582580 478160221 /nfs/dbraw/zinc/16/02/21/478160221.db2.gz 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CCc1ccc(OC[C@@H](O)CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000003683900 718409075 /nfs/dbraw/zinc/40/90/75/718409075.db2.gz UDDXYEJJMSOPNQ-KRWDZBQOSA-N 1 1 334.504 2.888 50 0 EFAAMO Cc1ncsc1C[N@@H+]1CCCN(C(=O)CCc2ccncc2)CC1 ZINC000981520016 718779652 /nfs/dbraw/zinc/77/96/52/718779652.db2.gz JJFWMWCZNRUSGZ-UHFFFAOYSA-N 1 1 344.484 2.514 50 0 EFAAMO Cc1ncsc1C[N@H+]1CCCN(C(=O)CCc2ccncc2)CC1 ZINC000981520016 718779655 /nfs/dbraw/zinc/77/96/55/718779655.db2.gz JJFWMWCZNRUSGZ-UHFFFAOYSA-N 1 1 344.484 2.514 50 0 EFAAMO Cc1cc(C)n(CCC(=O)N2CCC[N@@H+](Cc3ccsc3)CC2)n1 ZINC000981716630 718969187 /nfs/dbraw/zinc/96/91/87/718969187.db2.gz HCGSQFFGZAPTLD-UHFFFAOYSA-N 1 1 346.500 2.686 50 0 EFAAMO O=C(CCc1ccccc1F)N1CCC[N@@H+](C[C@@H]2CCCCO2)CC1 ZINC000989648532 1106515761 /nfs/dbraw/zinc/51/57/61/1106515761.db2.gz PSQVYFBRHTXFJQ-SFHVURJKSA-N 1 1 348.462 2.862 50 0 EFAAMO COC(=O)c1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000055142186 214278535 /nfs/dbraw/zinc/27/85/35/214278535.db2.gz 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/nfs/dbraw/zinc/02/14/68/202021468.db2.gz QGQDKOATNVCHBW-RBSFLKMASA-N 1 1 327.852 2.806 50 0 EFAAMO CC[NH+]1CCN(C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000019877272 202023170 /nfs/dbraw/zinc/02/31/70/202023170.db2.gz OVZNJHNSUCNHID-UHFFFAOYSA-N 1 1 335.879 2.582 50 0 EFAAMO CC(C)OC(=O)CCCCCCCC[C@H](O)C[NH+]1CCOCC1 ZINC000019848525 202023240 /nfs/dbraw/zinc/02/32/40/202023240.db2.gz GTKUXMDEDJIYGC-KRWDZBQOSA-N 1 1 329.481 2.752 50 0 EFAAMO c1c(-c2ccccn2)nnn1C[C@@H]1CCC[N@H+](C2CCSCC2)C1 ZINC000019853667 202023475 /nfs/dbraw/zinc/02/34/75/202023475.db2.gz AEBOMXDXRJREDA-OAHLLOKOSA-N 1 1 343.500 2.948 50 0 EFAAMO O=C(NCCC[NH+]1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000019866409 202023714 /nfs/dbraw/zinc/02/37/14/202023714.db2.gz ZUTYZCNYTDXKPB-UHFFFAOYSA-N 1 1 338.451 2.657 50 0 EFAAMO C[NH+]1CCN(C(=S)NC(=O)/C=C/c2cccc3ccccc23)CC1 ZINC000019860641 202023907 /nfs/dbraw/zinc/02/39/07/202023907.db2.gz ZHBZPZUOTQHWOP-MDZDMXLPSA-N 1 1 339.464 2.502 50 0 EFAAMO O=C(COc1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019935058 202027550 /nfs/dbraw/zinc/02/75/50/202027550.db2.gz ATBBKBHXGVCCAH-UHFFFAOYSA-N 1 1 328.387 2.549 50 0 EFAAMO OCC[C@H]1CN(C/C=C/c2ccco2)CC[N@@H+]1Cc1ccsc1 ZINC000020206579 202034625 /nfs/dbraw/zinc/03/46/25/202034625.db2.gz MQMBOGPTZLZNCY-DUXHTMCSSA-N 1 1 332.469 2.923 50 0 EFAAMO OCC[C@H]1CN(C/C=C/c2ccco2)CC[N@H+]1Cc1ccsc1 ZINC000020206579 202034629 /nfs/dbraw/zinc/03/46/29/202034629.db2.gz MQMBOGPTZLZNCY-DUXHTMCSSA-N 1 1 332.469 2.923 50 0 EFAAMO CN(C)c1ccc(C(=O)N2CCC[N@H+](C3CCCCC3)CC2)cn1 ZINC000020202717 202035040 /nfs/dbraw/zinc/03/50/40/202035040.db2.gz ACPQGSAYJQYXBU-UHFFFAOYSA-N 1 1 330.476 2.628 50 0 EFAAMO Cc1ccccc1C[NH+]1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000020418602 202041225 /nfs/dbraw/zinc/04/12/25/202041225.db2.gz NBUCPUMTTUWPBU-UHFFFAOYSA-N 1 1 341.430 2.890 50 0 EFAAMO CC[NH+](CC)CCC[NH2+][C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000020432490 202041708 /nfs/dbraw/zinc/04/17/08/202041708.db2.gz GJQSWTXXLJYDIR-HNNXBMFYSA-N 1 1 340.851 2.688 50 0 EFAAMO CCn1nc(C)c(CN2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)c1C ZINC000020538149 202047983 /nfs/dbraw/zinc/04/79/83/202047983.db2.gz PKDNAMIDJPWLIP-IBGZPJMESA-N 1 1 348.535 2.721 50 0 EFAAMO COc1ccc2c(c1)c1nc(C)sc1n2CC[NH+]1CCOCC1 ZINC000020533193 202048108 /nfs/dbraw/zinc/04/81/08/202048108.db2.gz HFHUTFNPGKBCPA-UHFFFAOYSA-N 1 1 331.441 2.900 50 0 EFAAMO CC(C)=CC[N@H+]1CCN(Cc2cc(C)c(O)c(C)c2)C[C@@H]1CCO ZINC000020782961 202055458 /nfs/dbraw/zinc/05/54/58/202055458.db2.gz NIVGVCYETHOTDA-IBGZPJMESA-N 1 1 332.488 2.844 50 0 EFAAMO CC(C)=CCN1CC[N@H+](Cc2cc(C)c(O)c(C)c2)C[C@@H]1CCO ZINC000020782961 202055461 /nfs/dbraw/zinc/05/54/61/202055461.db2.gz NIVGVCYETHOTDA-IBGZPJMESA-N 1 1 332.488 2.844 50 0 EFAAMO CC(C)=CCN1CC[N@@H+](Cc2cc(C)c(O)c(C)c2)C[C@@H]1CCO ZINC000020782961 202055465 /nfs/dbraw/zinc/05/54/65/202055465.db2.gz NIVGVCYETHOTDA-IBGZPJMESA-N 1 1 332.488 2.844 50 0 EFAAMO Cn1nc2c(c1NC(=O)c1ccc([C@H]3CCC[N@H+]3C)s1)CCC2 ZINC000020638638 202050756 /nfs/dbraw/zinc/05/07/56/202050756.db2.gz YMETUARBPCUASG-CYBMUJFWSA-N 1 1 330.457 2.989 50 0 EFAAMO COc1ccccc1[C@@H](CC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000020648396 202052541 /nfs/dbraw/zinc/05/25/41/202052541.db2.gz UEWGTIKTIFKYRO-IBGZPJMESA-N 1 1 338.451 2.991 50 0 EFAAMO CN1CC[NH+](CCOCCOc2ccc(-c3ccccc3)cc2)CC1 ZINC000020652984 202052731 /nfs/dbraw/zinc/05/27/31/202052731.db2.gz ZZAWRXWFIOQUTQ-UHFFFAOYSA-N 1 1 340.467 2.996 50 0 EFAAMO CC(C)CC[N@H+]1CCN(Cc2ccc(O)c(Cl)c2)C[C@@H]1CCO ZINC000020918530 202058772 /nfs/dbraw/zinc/05/87/72/202058772.db2.gz SAFZURIKTCCTEC-INIZCTEOSA-N 1 1 340.895 2.960 50 0 EFAAMO CCOC(=O)CCCCC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000022028114 202077782 /nfs/dbraw/zinc/07/77/82/202077782.db2.gz PBPNNWZQHOICLF-UHFFFAOYSA-N 1 1 346.471 2.740 50 0 EFAAMO CCOC(=O)CCCCC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000022027972 202077945 /nfs/dbraw/zinc/07/79/45/202077945.db2.gz GONDTMNYDRWQRK-UHFFFAOYSA-N 1 1 346.471 2.740 50 0 EFAAMO OCC[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc(F)cc1 ZINC000022852454 202093731 /nfs/dbraw/zinc/09/37/31/202093731.db2.gz JABONDPCBWYITN-HXUWFJFHSA-N 1 1 328.431 2.895 50 0 EFAAMO C[NH+]1CCN(CC[C@@H]2CCCCN2C(=O)Nc2ccccc2)CC1 ZINC000022935377 202095590 /nfs/dbraw/zinc/09/55/90/202095590.db2.gz VDDHNQBHPSFDGG-SFHVURJKSA-N 1 1 330.476 2.711 50 0 EFAAMO CC(C)(C)c1cc(=O)[nH]c(-c2ccc(C[N@H+]3CCCOCC3)cc2)n1 ZINC000023214641 202100649 /nfs/dbraw/zinc/10/06/49/202100649.db2.gz MDCOEHLELJQKFB-UHFFFAOYSA-N 1 1 341.455 2.957 50 0 EFAAMO CCOC(=O)N1CCC([N@H+]2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC000023339052 202101393 /nfs/dbraw/zinc/10/13/93/202101393.db2.gz YKWUFGODQHCXJZ-SFHVURJKSA-N 1 1 332.444 2.551 50 0 EFAAMO COc1ccc(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)cc1 ZINC000023713749 202108293 /nfs/dbraw/zinc/10/82/93/202108293.db2.gz SCZLEQRYPQTUBK-QGZVFWFLSA-N 1 1 328.412 2.737 50 0 biogenic EFAAMO Cc1ccc([C@@H](CNC(=O)c2snnc2C)[NH+]2CCC(C)CC2)o1 ZINC000028580810 202173254 /nfs/dbraw/zinc/17/32/54/202173254.db2.gz OVCVSHRSKPKOCU-CQSZACIVSA-N 1 1 348.472 2.951 50 0 EFAAMO 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COc1ccccc1NC(=O)NC[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000067982274 278057503 /nfs/dbraw/zinc/05/75/03/278057503.db2.gz NUMCUZMFFKYEGV-INIZCTEOSA-N 1 1 340.427 2.734 50 0 EFAAMO O=C1CCCN1CC[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000067490300 280251785 /nfs/dbraw/zinc/25/17/85/280251785.db2.gz YGKQPUGUQAJEGZ-HNNXBMFYSA-N 1 1 326.444 2.930 50 0 EFAAMO O=C1CCCN1CC[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000067490300 280251787 /nfs/dbraw/zinc/25/17/87/280251787.db2.gz YGKQPUGUQAJEGZ-HNNXBMFYSA-N 1 1 326.444 2.930 50 0 EFAAMO Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000020762377 295360155 /nfs/dbraw/zinc/36/01/55/295360155.db2.gz WETNHZVOLPIATI-YJBOKZPZSA-N 1 1 339.487 2.699 50 0 biogenic EFAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)COCC(F)(F)F)cc1F ZINC000299234339 311064125 /nfs/dbraw/zinc/06/41/25/311064125.db2.gz SZKDLHFVZDQFAQ-UHFFFAOYSA-N 1 1 345.296 2.515 50 0 EFAAMO C[C@H]([NH2+]Cc1c(-c2ccccc2)nc2ccccn21)c1nncn1C ZINC000494789041 314635964 /nfs/dbraw/zinc/63/59/64/314635964.db2.gz XNTNALJNHJMMSP-AWEZNQCLSA-N 1 1 332.411 2.981 50 0 EFAAMO CC[N@H+]1C[C@H](Nc2nc(-c3ccccc3)nc3c2CCC3)[C@@H](OC)C1 ZINC000534656879 468271393 /nfs/dbraw/zinc/27/13/93/468271393.db2.gz MKSOHXLHLUEAAP-ROUUACIJSA-N 1 1 338.455 2.763 50 0 EFAAMO Nc1cc(N2CCC(c3n[nH]cc3Cc3ccccc3)CC2)nc[nH+]1 ZINC000067727329 472080460 /nfs/dbraw/zinc/08/04/60/472080460.db2.gz XIJHZAYXKKRTCH-UHFFFAOYSA-N 1 1 334.427 2.757 50 0 EFAAMO COc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCC[N@@H+](C)C1)CC(C)(C)O2 ZINC000071385320 472549157 /nfs/dbraw/zinc/54/91/57/472549157.db2.gz OWYFHFOLBDKMHL-BBRMVZONSA-N 1 1 332.444 2.755 50 0 EFAAMO CN(Cc1cc(C2CC2)on1)C(=O)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000095499790 473213620 /nfs/dbraw/zinc/21/36/20/473213620.db2.gz OJVCUCWCJPZUDF-GOSISDBHSA-N 1 1 340.427 2.743 50 0 EFAAMO CN(Cc1cc(C2CC2)on1)C(=O)[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000095499791 473213804 /nfs/dbraw/zinc/21/38/04/473213804.db2.gz OJVCUCWCJPZUDF-SFHVURJKSA-N 1 1 340.427 2.743 50 0 EFAAMO Cc1ccc(CSc2nc(NCc3cc[nH]n3)cc(N)[nH+]2)cc1 ZINC000095500372 473214580 /nfs/dbraw/zinc/21/45/80/473214580.db2.gz YOCYFZKNYBKAKK-UHFFFAOYSA-N 1 1 326.429 2.995 50 0 EFAAMO Cc1ccc(CSc2nc(N)cc(NCc3cc[nH]n3)[nH+]2)cc1 ZINC000095500372 473214585 /nfs/dbraw/zinc/21/45/85/473214585.db2.gz YOCYFZKNYBKAKK-UHFFFAOYSA-N 1 1 326.429 2.995 50 0 EFAAMO CCn1nc(CNC(=O)[C@@H]2CCC[N@H+](C(C)C)C2)c2ccccc21 ZINC000095508842 473216683 /nfs/dbraw/zinc/21/66/83/473216683.db2.gz NWKDFVVMOISNHD-OAHLLOKOSA-N 1 1 328.460 2.793 50 0 EFAAMO COC(=O)c1ccc(NC(=O)NCC[C@H]2CCC[N@H+]2C)c(Cl)c1 ZINC000095516386 473217619 /nfs/dbraw/zinc/21/76/19/473217619.db2.gz MCRNMZGHOGZNGL-GFCCVEGCSA-N 1 1 339.823 2.732 50 0 EFAAMO COc1ccc2c(c1)OC[C@]1(CO)C[N@H+](CCCC(F)(F)F)C[C@H]21 ZINC000095529691 473220731 /nfs/dbraw/zinc/22/07/31/473220731.db2.gz DQBWTPVYFQOULJ-GDBMZVCRSA-N 1 1 345.361 2.808 50 0 EFAAMO Cc1ccnc(N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)n1 ZINC000095518841 473218831 /nfs/dbraw/zinc/21/88/31/473218831.db2.gz 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Cn1ccc2ccc(C(=O)N3CCC[N@H+](Cc4ccccn4)CC3)cc21 ZINC000095531469 473222383 /nfs/dbraw/zinc/22/23/83/473222383.db2.gz APXNAVPNMJWSFD-UHFFFAOYSA-N 1 1 348.450 2.921 50 0 EFAAMO Cn1ccc2ccc(C(=O)N3CCC[N@@H+](Cc4ccccn4)CC3)cc21 ZINC000095531469 473222386 /nfs/dbraw/zinc/22/23/86/473222386.db2.gz APXNAVPNMJWSFD-UHFFFAOYSA-N 1 1 348.450 2.921 50 0 EFAAMO OC[C@@H]1CCCC[N@H+]1CCn1cc(-c2ccc3ccccc3c2)nn1 ZINC000082098541 473288238 /nfs/dbraw/zinc/28/82/38/473288238.db2.gz RJPFUKILMAIHCU-IBGZPJMESA-N 1 1 336.439 2.945 50 0 EFAAMO CCC[C@@H]1C[N@H+](Cc2nnc(-c3cccc(F)c3)o2)C[C@H]1NC(C)=O ZINC000082107792 473289215 /nfs/dbraw/zinc/28/92/15/473289215.db2.gz VMUYDDHUFBKBEF-GDBMZVCRSA-N 1 1 346.406 2.612 50 0 EFAAMO CCC[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(F)c3)o2)C[C@H]1NC(C)=O ZINC000082107792 473289221 /nfs/dbraw/zinc/28/92/21/473289221.db2.gz VMUYDDHUFBKBEF-GDBMZVCRSA-N 1 1 346.406 2.612 50 0 EFAAMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)cc1C ZINC000082107806 473289622 /nfs/dbraw/zinc/28/96/22/473289622.db2.gz OEMPKFPRRRPTSE-OAQYLSRUSA-N 1 1 344.499 2.890 50 0 EFAAMO Cc1ccc2nc(C[NH2+][C@H]3CCOC4(CCOCC4)C3)[nH]c2c1C ZINC000082109706 473290655 /nfs/dbraw/zinc/29/06/55/473290655.db2.gz LWJSOUVJVPKNEB-HNNXBMFYSA-N 1 1 329.444 2.998 50 0 EFAAMO c1c(CNc2ncccn2)nn2c1C[N@@H+](C1CCCCC1)CCC2 ZINC000082109585 473290686 /nfs/dbraw/zinc/29/06/86/473290686.db2.gz MGMDXFCEVNITKU-UHFFFAOYSA-N 1 1 326.448 2.824 50 0 EFAAMO O=C(CCc1cccs1)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000082116211 473292366 /nfs/dbraw/zinc/29/23/66/473292366.db2.gz LDPOWPQNJNMCFE-INIZCTEOSA-N 1 1 336.501 2.784 50 0 EFAAMO CCOC(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000146332235 473298244 /nfs/dbraw/zinc/29/82/44/473298244.db2.gz XVGAIUQGUPGMIU-AWEZNQCLSA-N 1 1 340.464 2.661 50 0 EFAAMO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000146332016 473299090 /nfs/dbraw/zinc/29/90/90/473299090.db2.gz XVGAIUQGUPGMIU-CQSZACIVSA-N 1 1 340.464 2.661 50 0 EFAAMO CC(=O)N1CC[NH+]([C@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000082238090 473299817 /nfs/dbraw/zinc/29/98/17/473299817.db2.gz ZLRRVQPOJCHZLJ-CYBMUJFWSA-N 1 1 330.457 2.739 50 0 EFAAMO C[N@H+]1CCCN(C(=O)[C@@H](Cc2ccc(O)cc2)c2ccccc2)CC1 ZINC000096137215 473311616 /nfs/dbraw/zinc/31/16/16/473311616.db2.gz HSKAEQAVZVYSCC-FQEVSTJZSA-N 1 1 338.451 2.883 50 0 EFAAMO CC[C@@H]1CN(c2cc(C(=O)N3CCCC3)ccn2)CC[N@H+]1C(C)C ZINC000096141225 473312956 /nfs/dbraw/zinc/31/29/56/473312956.db2.gz PNFKDGGDVZJTDE-QGZVFWFLSA-N 1 1 330.476 2.627 50 0 EFAAMO CC[C@H]1CN(c2cc(C(=O)N3CCCC3)ccn2)CC[N@H+]1C(C)C ZINC000096141226 473313219 /nfs/dbraw/zinc/31/32/19/473313219.db2.gz PNFKDGGDVZJTDE-KRWDZBQOSA-N 1 1 330.476 2.627 50 0 EFAAMO COCCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc3cccnc3c2)C1 ZINC000096149985 473314119 /nfs/dbraw/zinc/31/41/19/473314119.db2.gz WUTROTZWXIZCQV-HNNXBMFYSA-N 1 1 342.443 2.715 50 0 EFAAMO COCCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc3cccnc3c2)C1 ZINC000096149984 473315006 /nfs/dbraw/zinc/31/50/06/473315006.db2.gz WUTROTZWXIZCQV-OAHLLOKOSA-N 1 1 342.443 2.715 50 0 EFAAMO Cc1nc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cs1 ZINC000096167041 473323265 /nfs/dbraw/zinc/32/32/65/473323265.db2.gz OJYFPNCKJOGXPK-CYBMUJFWSA-N 1 1 335.498 2.836 50 0 EFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000000176273 471331275 /nfs/dbraw/zinc/33/12/75/471331275.db2.gz DIPYKFHAIZSMGP-QGZVFWFLSA-N 1 1 344.455 2.779 50 0 EFAAMO CCOC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2cc(C)ccc2C)C1 ZINC000000176318 471331815 /nfs/dbraw/zinc/33/18/15/471331815.db2.gz NIGJPTCHWRQBHJ-INIZCTEOSA-N 1 1 332.444 2.907 50 0 EFAAMO COc1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc2c1OCO2 ZINC000000300793 471344766 /nfs/dbraw/zinc/34/47/66/471344766.db2.gz KEIXEQOGCAHTQC-UHFFFAOYSA-N 1 1 344.386 2.885 50 0 EFAAMO Cc1ccc(OC[C@H](O)C[N@@H+](CCO)Cc2ccccc2)c(C)c1 ZINC000002451843 471407933 /nfs/dbraw/zinc/40/79/33/471407933.db2.gz DIRFDJONDWSQAR-LJQANCHMSA-N 1 1 329.440 2.538 50 0 EFAAMO Cc1ccc(C(=O)Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000003017378 471430298 /nfs/dbraw/zinc/43/02/98/471430298.db2.gz LAPDLARAEKBKTO-UHFFFAOYSA-N 1 1 337.423 2.635 50 0 EFAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1 ZINC000004087195 471458434 /nfs/dbraw/zinc/45/84/34/471458434.db2.gz BLLGSYJVAQQGJF-UHFFFAOYSA-N 1 1 349.481 2.927 50 0 EFAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1 ZINC000004087195 471458437 /nfs/dbraw/zinc/45/84/37/471458437.db2.gz BLLGSYJVAQQGJF-UHFFFAOYSA-N 1 1 349.481 2.927 50 0 EFAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(N)=O)C1 ZINC000004087022 471458660 /nfs/dbraw/zinc/45/86/60/471458660.db2.gz MDEVTWPJORUZTJ-UHFFFAOYSA-N 1 1 347.415 2.616 50 0 EFAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(N)=O)C1 ZINC000004087022 471458666 /nfs/dbraw/zinc/45/86/66/471458666.db2.gz MDEVTWPJORUZTJ-UHFFFAOYSA-N 1 1 347.415 2.616 50 0 EFAAMO Cc1cc(=O)oc2cc(OC[C@H](O)C[N@@H+]3CCCC[C@@H]3C)ccc12 ZINC000004393062 471465355 /nfs/dbraw/zinc/46/53/55/471465355.db2.gz KYKUPUDMOQVOCQ-LSDHHAIUSA-N 1 1 331.412 2.716 50 0 EFAAMO COc1cccc(Nc2nc(N)nc(C[NH+]3CCCCCC3)n2)c1 ZINC000004418010 471465513 /nfs/dbraw/zinc/46/55/13/471465513.db2.gz VEUFNZJZFNFITC-UHFFFAOYSA-N 1 1 328.420 2.582 50 0 EFAAMO C[NH+]1CCN(c2ccc(NC(=O)c3cccnc3)cc2Cl)CC1 ZINC000004841538 471476796 /nfs/dbraw/zinc/47/67/96/471476796.db2.gz VAORRHMBUDSABD-UHFFFAOYSA-N 1 1 330.819 2.739 50 0 EFAAMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000005247210 471495157 /nfs/dbraw/zinc/49/51/57/471495157.db2.gz AMPYTXNFJQTCHU-SNVBAGLBSA-N 1 1 337.272 2.756 50 0 EFAAMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000005247210 471495163 /nfs/dbraw/zinc/49/51/63/471495163.db2.gz AMPYTXNFJQTCHU-SNVBAGLBSA-N 1 1 337.272 2.756 50 0 EFAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(Cl)c1)c1ccsc1 ZINC000008896000 471706208 /nfs/dbraw/zinc/70/62/08/471706208.db2.gz IMWPEPZGBSUPIB-AWEZNQCLSA-N 1 1 344.889 2.983 50 0 EFAAMO Cc1ccc(C)c(Nc2nc(N3CC[NH+](C)CC3)nc3nccnc32)c1 ZINC000009074903 471711483 /nfs/dbraw/zinc/71/14/83/471711483.db2.gz 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CC(C)c1ncc(C[N@@H+](C)C[C@H]2CC(=O)N(C3CCCC3)C2)cn1 ZINC000097324003 219011755 /nfs/dbraw/zinc/01/17/55/219011755.db2.gz ORZQIGCQOJFURM-OAHLLOKOSA-N 1 1 330.476 2.823 50 0 EFAAMO CC(C)c1ncc(C[N@@H+](C)C[C@@H]2CC(=O)N(C3CCCC3)C2)cn1 ZINC000097324002 219011950 /nfs/dbraw/zinc/01/19/50/219011950.db2.gz ORZQIGCQOJFURM-HNNXBMFYSA-N 1 1 330.476 2.823 50 0 EFAAMO COCC[N@H+]1CC[C@@H](CN(C)Cc2cn(-c3ccccc3)nc2C)C1 ZINC000097259318 219006329 /nfs/dbraw/zinc/00/63/29/219006329.db2.gz OLOBXZBOYUVOCL-SFHVURJKSA-N 1 1 342.487 2.581 50 0 EFAAMO COc1ccc2ccccc2c1CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000097259140 219006411 /nfs/dbraw/zinc/00/64/11/219006411.db2.gz DIDUGCSOLHNYPX-GOSISDBHSA-N 1 1 326.440 2.991 50 0 EFAAMO Cc1n[nH]c(CCC(=O)N[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1C ZINC000097347375 219014028 /nfs/dbraw/zinc/01/40/28/219014028.db2.gz YHAJIRNIOMKMIG-HNNXBMFYSA-N 1 1 346.500 2.801 50 0 EFAAMO NC(=O)CN1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC000097514240 219031681 /nfs/dbraw/zinc/03/16/81/219031681.db2.gz 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CSc1ccccc1C(=O)N1CCC2(CC1)CN(C)CCC[N@H+]2C ZINC000299789243 258095424 /nfs/dbraw/zinc/09/54/24/258095424.db2.gz VJSHMTSUUHDBPA-UHFFFAOYSA-N 1 1 347.528 2.651 50 0 EFAAMO c1c(CNc2cnccn2)nn2c1C[N@@H+](CCCc1ccccc1)CC2 ZINC000299789488 258095483 /nfs/dbraw/zinc/09/54/83/258095483.db2.gz VTFWYRLSEAGCRW-UHFFFAOYSA-N 1 1 348.454 2.734 50 0 EFAAMO CC(C)Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)s1 ZINC000299793655 258098529 /nfs/dbraw/zinc/09/85/29/258098529.db2.gz HALOISDWUIGDNP-IRXDYDNUSA-N 1 1 332.473 2.884 50 0 EFAAMO Cc1cc(NC(=O)NCCCn2cc[nH+]c2C)n([C@@H](C)C2CC2)n1 ZINC000299799462 258102924 /nfs/dbraw/zinc/10/29/24/258102924.db2.gz RWTQPCJTOUPAIT-ZDUSSCGKSA-N 1 1 330.436 2.879 50 0 EFAAMO COc1ccccc1CCC[NH2+]C[C@]1(O)CCCN2CCCC[C@@H]21 ZINC000063832693 258062509 /nfs/dbraw/zinc/06/25/09/258062509.db2.gz FTPWCFOLEKDFEF-WOJBJXKFSA-N 1 1 332.488 2.597 50 0 EFAAMO CC1CCN(C(=O)CC[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000071774835 258063976 /nfs/dbraw/zinc/06/39/76/258063976.db2.gz 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CO[C@@H]1CCN(c2cc(N)nc(SCc3ccc(C)cc3)[nH+]2)C1 ZINC000095503314 473214192 /nfs/dbraw/zinc/21/41/92/473214192.db2.gz YSWUKNZLVXTINP-CQSZACIVSA-N 1 1 330.457 2.885 50 0 EFAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)NCc1csc(N2CCCC2)n1 ZINC000095502642 473214658 /nfs/dbraw/zinc/21/46/58/473214658.db2.gz CAOOEWTXLUGWPT-CYBMUJFWSA-N 1 1 347.488 2.941 50 0 EFAAMO [NH3+][C@H](C(=O)N1CCc2nc(-c3ccccc3)[nH]c2C1)C1CCCCC1 ZINC000095503560 473214846 /nfs/dbraw/zinc/21/48/46/473214846.db2.gz BSULVAPLOSMJGW-SFHVURJKSA-N 1 1 338.455 2.869 50 0 EFAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCc1cc(-c2ccccc2F)no1 ZINC000095501152 473214867 /nfs/dbraw/zinc/21/48/67/473214867.db2.gz QMDGNHLWPCZQBZ-KRWDZBQOSA-N 1 1 331.391 2.971 50 0 EFAAMO CCOCc1nc([C@H]2CCC[N@@H+](C)C2)n(CCc2ccccc2)n1 ZINC000095504852 473215935 /nfs/dbraw/zinc/21/59/35/473215935.db2.gz DYAJCCHVEFRANE-KRWDZBQOSA-N 1 1 328.460 2.867 50 0 EFAAMO CCc1nnc(CNC(=O)C[N@@H+]2CCC[C@H](c3ccccc3)C2)s1 ZINC000095520129 473218547 /nfs/dbraw/zinc/21/85/47/473218547.db2.gz 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ZINC000095524976 473220329 /nfs/dbraw/zinc/22/03/29/473220329.db2.gz PFHRUYRAMOLWLR-UHFFFAOYSA-N 1 1 340.406 2.593 50 0 EFAAMO Cc1ccnc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)n1 ZINC000095527073 473221146 /nfs/dbraw/zinc/22/11/46/473221146.db2.gz WAJPONSAQJPSMO-QGZVFWFLSA-N 1 1 334.427 2.809 50 0 EFAAMO c1cn(CC2CC2)c([C@@H]2CCCN(c3nnnn3-c3ccccc3)C2)[nH+]1 ZINC000082106961 473289028 /nfs/dbraw/zinc/28/90/28/473289028.db2.gz JFCNXCQVVYAAEK-MRXNPFEDSA-N 1 1 349.442 2.653 50 0 EFAAMO CC(=O)c1cc(CC(=O)N2CCN(c3[nH+]cccc3C)CC2)cs1 ZINC000082106749 473289240 /nfs/dbraw/zinc/28/92/40/473289240.db2.gz NKCCETZPWAPUMH-UHFFFAOYSA-N 1 1 343.452 2.545 50 0 EFAAMO CCCc1cc(C(=O)N(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)no1 ZINC000082109191 473290370 /nfs/dbraw/zinc/29/03/70/473290370.db2.gz OKJLNDWOKYTUOX-INIZCTEOSA-N 1 1 327.428 2.756 50 0 EFAAMO CCCc1cc(C(=O)N(C)C[C@@H]2Cc3ccccc3C[N@H+]2C)no1 ZINC000082109191 473290379 /nfs/dbraw/zinc/29/03/79/473290379.db2.gz OKJLNDWOKYTUOX-INIZCTEOSA-N 1 1 327.428 2.756 50 0 EFAAMO CC(=O)Nc1ccc(-c2cn(CCc3c[nH+]c4ccccn34)nn2)cc1 ZINC000082108890 473290740 /nfs/dbraw/zinc/29/07/40/473290740.db2.gz WLLGFKXGQOOFLH-UHFFFAOYSA-N 1 1 346.394 2.794 50 0 EFAAMO CCc1[nH+]ccn1CCC(=O)N1CC(Oc2c(C)cccc2C)C1 ZINC000082135124 473294538 /nfs/dbraw/zinc/29/45/38/473294538.db2.gz ISXIWMADRMFASN-UHFFFAOYSA-N 1 1 327.428 2.742 50 0 EFAAMO CCc1[nH+]ccn1CCC(=O)N1CCCC[C@@H]1CCc1nccn1C ZINC000082150009 473296010 /nfs/dbraw/zinc/29/60/10/473296010.db2.gz UZRQTRKNNKKYOZ-MRXNPFEDSA-N 1 1 343.475 2.583 50 0 EFAAMO Cc1nn(C)c2nc(N[C@H]3CCC[N@@H+](Cc4cccnc4)C3)sc12 ZINC000096142213 473312652 /nfs/dbraw/zinc/31/26/52/473312652.db2.gz GKZIJJMBNYEGAS-AWEZNQCLSA-N 1 1 342.472 2.810 50 0 EFAAMO Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)Cc2cscn2)C1 ZINC000096141215 473313286 /nfs/dbraw/zinc/31/32/86/473313286.db2.gz AGPYFDIYFHXPHH-HNNXBMFYSA-N 1 1 329.469 2.632 50 0 EFAAMO Cc1ccc(-c2cc(-c3nc(CC4CC[NH+](C)CC4)no3)[nH]n2)o1 ZINC000096147964 473314412 /nfs/dbraw/zinc/31/44/12/473314412.db2.gz MMLRIMFTEVWGRL-UHFFFAOYSA-N 1 1 327.388 2.912 50 0 EFAAMO C[C@@H](c1nc(-c2ccncc2)nn1CCO)[N@@H+](C)C1CCCCC1 ZINC000096148095 473314725 /nfs/dbraw/zinc/31/47/25/473314725.db2.gz KUMQISDHIYILNR-AWEZNQCLSA-N 1 1 329.448 2.658 50 0 EFAAMO COCCc1nc(C[C@H]2CCCC[N@H+]2C)n(CCc2ccccc2)n1 ZINC000096148039 473315151 /nfs/dbraw/zinc/31/51/51/473315151.db2.gz CDSTYABWBCNRAI-GOSISDBHSA-N 1 1 342.487 2.737 50 0 EFAAMO O=C(NCC[N@H+]1CC[C@@H](c2ccccc2)C1)c1n[nH]c2c1CCCC2 ZINC000096163464 473321973 /nfs/dbraw/zinc/32/19/73/473321973.db2.gz AJTAPRYLAQKSQM-MRXNPFEDSA-N 1 1 338.455 2.508 50 0 EFAAMO O=C(NCC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1[nH]nc2c1CCCC2 ZINC000096163464 473321980 /nfs/dbraw/zinc/32/19/80/473321980.db2.gz AJTAPRYLAQKSQM-MRXNPFEDSA-N 1 1 338.455 2.508 50 0 EFAAMO O=C(NCC[N@H+]1CC[C@@H](c2ccccc2)C1)c1[nH]nc2c1CCCC2 ZINC000096163464 473321990 /nfs/dbraw/zinc/32/19/90/473321990.db2.gz AJTAPRYLAQKSQM-MRXNPFEDSA-N 1 1 338.455 2.508 50 0 EFAAMO Cc1nc(CC(=O)N[C@H]2CCC[N@@H+](Cc3cccs3)C2)cs1 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0 EFAAMO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000000757676 471374725 /nfs/dbraw/zinc/37/47/25/471374725.db2.gz DLSAKBCKYGKSDB-LJQANCHMSA-N 1 1 344.499 2.969 50 0 EFAAMO CCOC(=O)[C@@H]1CCCN(C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000000757676 471374741 /nfs/dbraw/zinc/37/47/41/471374741.db2.gz DLSAKBCKYGKSDB-LJQANCHMSA-N 1 1 344.499 2.969 50 0 EFAAMO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C)CC3)C2=O)cc1 ZINC000001805742 471397623 /nfs/dbraw/zinc/39/76/23/471397623.db2.gz PRGQGGAAVQYFHH-KRWDZBQOSA-N 1 1 330.428 2.839 50 0 EFAAMO COc1ccc(NC(=O)CC[N@@H+](CCO)Cc2ccccc2)cc1 ZINC000002765114 471420322 /nfs/dbraw/zinc/42/03/22/471420322.db2.gz MOCCXTPJFYESMV-UHFFFAOYSA-N 1 1 328.412 2.518 50 0 EFAAMO COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000005253734 471494936 /nfs/dbraw/zinc/49/49/36/471494936.db2.gz XFBBRDRLWNQMNT-CYBMUJFWSA-N 1 1 343.427 2.933 50 0 EFAAMO CCOc1ccc(N2C(=O)C[C@H]([N@H+]3CCCC[C@H]3CC)C2=O)cc1 ZINC000006500115 471547604 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Cc1ccc([C@@H](C)CC[N@H+]2CC(=O)N(C3CCCCC3)C[C@H](O)C2)o1 ZINC000014536384 471874309 /nfs/dbraw/zinc/87/43/09/471874309.db2.gz XWIKXERSJXTEMI-MAUKXSAKSA-N 1 1 348.487 2.919 50 0 EFAAMO Cc1ccc([C@@H](C)CC[N@@H+]2CC(=O)N(C3CCCCC3)C[C@H](O)C2)o1 ZINC000014536384 471874314 /nfs/dbraw/zinc/87/43/14/471874314.db2.gz XWIKXERSJXTEMI-MAUKXSAKSA-N 1 1 348.487 2.919 50 0 EFAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3c[nH]cn3)C2)cc1 ZINC000015063503 471888108 /nfs/dbraw/zinc/88/81/08/471888108.db2.gz QVMSLMHEKCLSDA-GOSISDBHSA-N 1 1 342.487 2.805 50 0 EFAAMO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3cnc[nH]3)C2)cc1 ZINC000015063503 471888111 /nfs/dbraw/zinc/88/81/11/471888111.db2.gz QVMSLMHEKCLSDA-GOSISDBHSA-N 1 1 342.487 2.805 50 0 EFAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3cnc[nH]3)C2)cc1 ZINC000015063503 471888113 /nfs/dbraw/zinc/88/81/13/471888113.db2.gz QVMSLMHEKCLSDA-GOSISDBHSA-N 1 1 342.487 2.805 50 0 EFAAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](CCC(N)=O)CC2 ZINC000015083052 471888885 /nfs/dbraw/zinc/88/88/85/471888885.db2.gz YMVNEOZGJQBOGY-FQEVSTJZSA-N 1 1 340.423 2.527 50 0 biogenic EFAAMO COc1cc(-c2nc(C[N@H+](C)[C@H]3CCOC3)c(C)o2)cc2c1OCO2 ZINC000015076710 471889440 /nfs/dbraw/zinc/88/94/40/471889440.db2.gz AABLSPJTHBJJAQ-ZDUSSCGKSA-N 1 1 346.383 2.608 50 0 EFAAMO COc1cc(-c2nc(C[N@@H+](C)[C@H]3CCOC3)c(C)o2)cc2c1OCO2 ZINC000015076710 471889447 /nfs/dbraw/zinc/88/94/47/471889447.db2.gz AABLSPJTHBJJAQ-ZDUSSCGKSA-N 1 1 346.383 2.608 50 0 EFAAMO C[C@]12CC3CC(C(=O)NCCC[NH+]4CCOCC4)(C1)C[C@@](C)(C3)C2 ZINC000016551929 471940069 /nfs/dbraw/zinc/94/00/69/471940069.db2.gz RHUYDJJQIRXAQC-JUNHRQJPSA-N 1 1 334.504 2.822 50 0 EFAAMO O=C(NC[C@@H]1CC[N@H+](C2CCCC2)C1)Nc1ccc2c(c1)OCO2 ZINC000016622114 471944066 /nfs/dbraw/zinc/94/40/66/471944066.db2.gz OGLLAPBNSNCTLS-ZDUSSCGKSA-N 1 1 331.416 2.801 50 0 EFAAMO CC[NH+]1CCN(C(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000016604252 471944115 /nfs/dbraw/zinc/94/41/15/471944115.db2.gz HJFWHPPPQCZLAI-NSHDSACASA-N 1 1 331.243 2.925 50 0 EFAAMO Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016719439 471948971 /nfs/dbraw/zinc/94/89/71/471948971.db2.gz WGZLIIHQIYQQED-BETUJISGSA-N 1 1 329.444 2.512 50 0 EFAAMO Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016719439 471948973 /nfs/dbraw/zinc/94/89/73/471948973.db2.gz WGZLIIHQIYQQED-BETUJISGSA-N 1 1 329.444 2.512 50 0 EFAAMO C[C@@H]1CCc2c(sc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)c2C(N)=O)C1 ZINC000017072621 471956524 /nfs/dbraw/zinc/95/65/24/471956524.db2.gz RHMICHSDXWYFJU-NEPJUHHUSA-N 1 1 349.500 2.785 50 0 EFAAMO C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3CCCC[C@@H]3C)c2C(N)=O)C1 ZINC000017072621 471956528 /nfs/dbraw/zinc/95/65/28/471956528.db2.gz RHMICHSDXWYFJU-NEPJUHHUSA-N 1 1 349.500 2.785 50 0 EFAAMO C[NH+]1CCN(C(=O)c2cc(-c3ccccn3)nc3ccccc32)CC1 ZINC000019201545 471978999 /nfs/dbraw/zinc/97/89/99/471978999.db2.gz UYQBFMUISUMTFL-UHFFFAOYSA-N 1 1 332.407 2.684 50 0 EFAAMO C[NH+]1CCN(CCn2c(C(C)(C)C)cn3c4ccccc4nc32)CC1 ZINC000019691055 471983001 /nfs/dbraw/zinc/98/30/01/471983001.db2.gz HIHJVHOIMHPEGD-UHFFFAOYSA-N 1 1 339.487 2.834 50 0 EFAAMO CN1CC[NH+](CC[C@@H]2CCCCN2C(=S)Nc2ccccc2)CC1 ZINC000022935438 472023494 /nfs/dbraw/zinc/02/34/94/472023494.db2.gz RHIRKHKXAMLAIB-SFHVURJKSA-N 1 1 346.544 2.875 50 0 EFAAMO CCc1nc2sc3c(c2c(NCCC[NH+]2CCOCC2)n1)CCC3 ZINC000041090172 472042949 /nfs/dbraw/zinc/04/29/49/472042949.db2.gz DQWWSMXPGXRMLJ-UHFFFAOYSA-N 1 1 346.500 2.877 50 0 EFAAMO Cc1ccc(-c2ccccc2C[N@H+]2CC[C@H](CNS(C)(=O)=O)C2)o1 ZINC000067724791 472079548 /nfs/dbraw/zinc/07/95/48/472079548.db2.gz ORCMHWHCYKFOLX-OAHLLOKOSA-N 1 1 348.468 2.626 50 0 EFAAMO Cc1ccc2nc(CCNC(=O)C3CC[NH+](C(C)C)CC3)[nH]c2c1C ZINC000067724683 472079731 /nfs/dbraw/zinc/07/97/31/472079731.db2.gz OEBZTEBSOKGGDB-UHFFFAOYSA-N 1 1 342.487 2.959 50 0 EFAAMO Cc1ccc2ccccc2c1C[N@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC000067769460 472086537 /nfs/dbraw/zinc/08/65/37/472086537.db2.gz WIDNUWRABMXIRK-OAHLLOKOSA-N 1 1 332.469 2.519 50 0 EFAAMO Nc1cc[nH+]c(N2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)n1 ZINC000067833697 472095610 /nfs/dbraw/zinc/09/56/10/472095610.db2.gz KDZDXPMUDDTBHW-UHFFFAOYSA-N 1 1 338.390 2.972 50 0 EFAAMO Nc1cc(N2CCc3onc(-c4ccc(F)c(F)c4)c3C2)nc[nH+]1 ZINC000067842001 472096828 /nfs/dbraw/zinc/09/68/28/472096828.db2.gz LIGURHXRJREEAT-UHFFFAOYSA-N 1 1 329.310 2.555 50 0 EFAAMO Cc1[nH+]c(N2CCCC2)nc(N2CCC[C@@H](c3cc[nH]n3)C2)c1C ZINC000067851528 472098897 /nfs/dbraw/zinc/09/88/97/472098897.db2.gz QPVGIZSRLGSLMR-OAHLLOKOSA-N 1 1 326.448 2.801 50 0 EFAAMO COc1ccc2c(C)nc(N3CCC[C@@]4(CC[N@@H+](C)C4)C3)nc2c1 ZINC000067881370 472103951 /nfs/dbraw/zinc/10/39/51/472103951.db2.gz CTINJVOPJXJELZ-IBGZPJMESA-N 1 1 326.444 2.869 50 0 EFAAMO Cc1nc[nH]c1C[N@H+]1CCC[C@H](CCNC(=O)NC2CCCC2)C1 ZINC000067895248 472107030 /nfs/dbraw/zinc/10/70/30/472107030.db2.gz AASOUPRUADELER-OAHLLOKOSA-N 1 1 333.480 2.562 50 0 EFAAMO O=C1CC[C@]2(CCC[N@@H+](C/C=C/c3ccccc3)C2)CN1CCCO ZINC000085479065 472254825 /nfs/dbraw/zinc/25/48/25/472254825.db2.gz OQRADWPVJNLNSV-ZSIUJALASA-N 1 1 342.483 2.787 50 0 EFAAMO Cc1noc(C)c1CCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000044716113 472334706 /nfs/dbraw/zinc/33/47/06/472334706.db2.gz OEOJXDHKKCCBPF-UHFFFAOYSA-N 1 1 327.428 2.568 50 0 EFAAMO O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)Nc1ccccc1 ZINC000044900827 472350757 /nfs/dbraw/zinc/35/07/57/472350757.db2.gz IXFLXKCMSNFRTJ-UHFFFAOYSA-N 1 1 342.395 2.643 50 0 EFAAMO COc1ccc(NC(=S)NC[C@H](c2cccnc2)[NH+](C)C)cc1 ZINC000057011202 472373543 /nfs/dbraw/zinc/37/35/43/472373543.db2.gz XGTHBABJUDQIBV-MRXNPFEDSA-N 1 1 330.457 2.680 50 0 EFAAMO c1coc(-c2nnc(C[N@H+]3CC[C@@H](CNc4ccccn4)C3)o2)c1 ZINC000097200485 472476847 /nfs/dbraw/zinc/47/68/47/472476847.db2.gz APRCFZGLUBTFSX-ZDUSSCGKSA-N 1 1 325.372 2.659 50 0 EFAAMO c1coc(-c2nnc(C[N@@H+]3CC[C@@H](CNc4ccccn4)C3)o2)c1 ZINC000097200485 472476857 /nfs/dbraw/zinc/47/68/57/472476857.db2.gz APRCFZGLUBTFSX-ZDUSSCGKSA-N 1 1 325.372 2.659 50 0 EFAAMO Cc1ccc(NC[C@H]2CC[N@@H+](Cc3ccc4c(c3)OC(=O)C4)C2)nc1 ZINC000097200520 472478752 /nfs/dbraw/zinc/47/87/52/472478752.db2.gz NGMGRYYLLRNCFW-MRXNPFEDSA-N 1 1 337.423 2.786 50 0 EFAAMO O=C(c1ccc2c(c1)CCC2)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000077288052 472494381 /nfs/dbraw/zinc/49/43/81/472494381.db2.gz UPFZTEACECCLGX-UHFFFAOYSA-N 1 1 335.451 2.918 50 0 EFAAMO O=C(c1ccc2c(c1)CCC2)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000077288052 472494383 /nfs/dbraw/zinc/49/43/83/472494383.db2.gz UPFZTEACECCLGX-UHFFFAOYSA-N 1 1 335.451 2.918 50 0 EFAAMO CN(C)c1ccc(CC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000077285468 472494559 /nfs/dbraw/zinc/49/45/59/472494559.db2.gz DTNHWSUUUMYNGB-UHFFFAOYSA-N 1 1 329.488 2.772 50 0 EFAAMO COc1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)ccn1 ZINC000077302698 472496230 /nfs/dbraw/zinc/49/62/30/472496230.db2.gz FDKVYDBWXFHHCZ-UHFFFAOYSA-N 1 1 343.402 2.577 50 0 EFAAMO COc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)ccn1 ZINC000077302698 472496241 /nfs/dbraw/zinc/49/62/41/472496241.db2.gz FDKVYDBWXFHHCZ-UHFFFAOYSA-N 1 1 343.402 2.577 50 0 EFAAMO CCc1noc(C)c1C(=O)NC[C@H](c1cccnc1)[NH+]1CCCCC1 ZINC000097495483 472499198 /nfs/dbraw/zinc/49/91/98/472499198.db2.gz PNHLPQUFXVLURY-QGZVFWFLSA-N 1 1 342.443 2.897 50 0 EFAAMO C[N@H+]1CCCCC[C@@H]1C(=O)N(Cc1cccnc1)Cc1cccnc1 ZINC000097528038 472500048 /nfs/dbraw/zinc/50/00/48/472500048.db2.gz ALIYJRUXUQUVSA-LJQANCHMSA-N 1 1 338.455 2.880 50 0 EFAAMO Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@H+]4C)cc2)n1 ZINC000077319885 472502376 /nfs/dbraw/zinc/50/23/76/472502376.db2.gz IMIWXKXDNWWZTI-PKOBYXMFSA-N 1 1 338.455 2.798 50 0 EFAAMO Cn1ccnc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000077321494 472503979 /nfs/dbraw/zinc/50/39/79/472503979.db2.gz PIKUKRIKUXOGAM-QGZVFWFLSA-N 1 1 349.438 2.701 50 0 EFAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)CCc1cc(Cl)no1 ZINC000077355065 472510872 /nfs/dbraw/zinc/51/08/72/472510872.db2.gz GLVPTIWDWOHVFS-OAHLLOKOSA-N 1 1 347.846 2.776 50 0 EFAAMO O=C(Cc1cccnc1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000077355989 472511570 /nfs/dbraw/zinc/51/15/70/472511570.db2.gz DSMBQLNZBCUZOE-UHFFFAOYSA-N 1 1 337.467 2.791 50 0 EFAAMO COc1c(F)cc(C[N@H+]2CCCC[C@H]2CCNC(C)=O)cc1F ZINC000077356587 472511835 /nfs/dbraw/zinc/51/18/35/472511835.db2.gz LUJLGYKHXHVDEV-AWEZNQCLSA-N 1 1 326.387 2.854 50 0 EFAAMO c1ccc(-c2nc(N3CCC[N@H+](Cc4cccnc4)CC3)no2)cc1 ZINC000077379160 472516304 /nfs/dbraw/zinc/51/63/04/472516304.db2.gz HABZTXHYIHUJBW-UHFFFAOYSA-N 1 1 335.411 2.844 50 0 EFAAMO CC[C@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)CC[N@H+]1C(C)C ZINC000077408334 472522206 /nfs/dbraw/zinc/52/22/06/472522206.db2.gz PMHIUVWLVKXZLE-KRWDZBQOSA-N 1 1 326.444 2.817 50 0 EFAAMO COCCN1C[C@]2(CCC[N@@H+](Cc3ccc(OC)cc3)C2)CCC1=O ZINC000077407049 472522428 /nfs/dbraw/zinc/52/24/28/472522428.db2.gz CMKYIWKZLSSKFW-HXUWFJFHSA-N 1 1 346.471 2.546 50 0 EFAAMO O[C@]1(C[NH+]2CCCC2)CCCN(Cc2cnc(CC3CCCC3)[nH]2)C1 ZINC000077406730 472522543 /nfs/dbraw/zinc/52/25/43/472522543.db2.gz CUOIZHLVWXRCDT-FQEVSTJZSA-N 1 1 346.519 2.565 50 0 EFAAMO Cc1oncc1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000077408433 472522855 /nfs/dbraw/zinc/52/28/55/472522855.db2.gz VUGOEPXOZXXQOF-UHFFFAOYSA-N 1 1 327.428 2.764 50 0 EFAAMO CCc1cc(C(=O)N2CCC[N@H+](C3Cc4ccccc4C3)CC2)ccn1 ZINC000077421144 472524700 /nfs/dbraw/zinc/52/47/00/472524700.db2.gz TWSBFUANXCKSAX-UHFFFAOYSA-N 1 1 349.478 2.959 50 0 EFAAMO Cc1cc(N2CCCN(C(=O)c3[nH]nc4ccccc43)CC2)cc[nH+]1 ZINC000077440111 472527293 /nfs/dbraw/zinc/52/72/93/472527293.db2.gz RHHRYRGYWGHPKI-UHFFFAOYSA-N 1 1 335.411 2.619 50 0 EFAAMO CCCCN1C[C@@]2(CCC[N@H+](Cc3nccn3CC)C2)CCC1=O ZINC000077438774 472527508 /nfs/dbraw/zinc/52/75/08/472527508.db2.gz PTIHBEQQZPPZCM-IBGZPJMESA-N 1 1 332.492 2.908 50 0 EFAAMO CCCCN1C[C@@]2(CCC[N@@H+](Cc3nccn3CC)C2)CCC1=O ZINC000077438774 472527514 /nfs/dbraw/zinc/52/75/14/472527514.db2.gz PTIHBEQQZPPZCM-IBGZPJMESA-N 1 1 332.492 2.908 50 0 EFAAMO Cn1cccc1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000077440057 472527679 /nfs/dbraw/zinc/52/76/79/472527679.db2.gz VDBLCNBLVPZOET-UHFFFAOYSA-N 1 1 325.456 2.806 50 0 EFAAMO O=C1CC[C@]2(CCC[N@@H+](CCOc3ccccc3)C2)CN1C1CC1 ZINC000077439506 472527908 /nfs/dbraw/zinc/52/79/08/472527908.db2.gz AXPUAWYEUHSDFV-FQEVSTJZSA-N 1 1 328.456 2.932 50 0 EFAAMO CC(=O)N[C@@H]1C[N@H+](Cc2nc(C)cc(C)n2)C[C@H]1c1ccc(C)cc1 ZINC000077458905 472530867 /nfs/dbraw/zinc/53/08/67/472530867.db2.gz MZUUGPJKQWZBCK-RBUKOAKNSA-N 1 1 338.455 2.506 50 0 EFAAMO CC(=O)N[C@@H]1C[N@@H+](Cc2nc(C)cc(C)n2)C[C@H]1c1ccc(C)cc1 ZINC000077458905 472530869 /nfs/dbraw/zinc/53/08/69/472530869.db2.gz MZUUGPJKQWZBCK-RBUKOAKNSA-N 1 1 338.455 2.506 50 0 EFAAMO CCOc1cc(C[N@@H+]2CCOC[C@@H](O)C2)ccc1OCC=C(C)C ZINC000077458657 472531086 /nfs/dbraw/zinc/53/10/86/472531086.db2.gz GCAXWJPJOSNNMB-KRWDZBQOSA-N 1 1 335.444 2.623 50 0 EFAAMO CCOc1cc(C[N@H+]2CCOC[C@@H](O)C2)ccc1OCC=C(C)C ZINC000077458657 472531092 /nfs/dbraw/zinc/53/10/92/472531092.db2.gz GCAXWJPJOSNNMB-KRWDZBQOSA-N 1 1 335.444 2.623 50 0 EFAAMO 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CC(C)C[N@H+]1CCCn2nc(CNc3ncnc4c3CCC4)cc2C1 ZINC000082096674 473287586 /nfs/dbraw/zinc/28/75/86/473287586.db2.gz OTWYDNCCMOKVKS-UHFFFAOYSA-N 1 1 340.475 2.636 50 0 EFAAMO COc1nccnc1N1C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)[C@@H]2C1 ZINC000082096856 473287750 /nfs/dbraw/zinc/28/77/50/473287750.db2.gz FDSPQPOHNIBEAC-DZGCQCFKSA-N 1 1 330.457 2.566 50 0 EFAAMO Cc1[nH+]ccn1C[C@@H]1CCCN(c2ccc(Cn3ccnc3)cn2)C1 ZINC000082098920 473288620 /nfs/dbraw/zinc/28/86/20/473288620.db2.gz KIWVMEYDHUAQDW-SFHVURJKSA-N 1 1 336.443 2.748 50 0 EFAAMO O=C([C@@H]1CCc2ccccc21)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000082107000 473289701 /nfs/dbraw/zinc/28/97/01/473289701.db2.gz ZTSGIUMTBNHETE-HXUWFJFHSA-N 1 1 335.451 2.846 50 0 EFAAMO O=C([C@@H]1CCc2ccccc21)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000082107000 473289705 /nfs/dbraw/zinc/28/97/05/473289705.db2.gz ZTSGIUMTBNHETE-HXUWFJFHSA-N 1 1 335.451 2.846 50 0 EFAAMO COc1c(C)cnc(C[N@@H+](C)[C@@H]2CCOC3(CCOCC3)C2)c1C ZINC000082114988 473290479 /nfs/dbraw/zinc/29/04/79/473290479.db2.gz VSRZJQRWYCKCNC-MRXNPFEDSA-N 1 1 334.460 2.867 50 0 EFAAMO COc1ccc(C(=O)N2CCC[C@@H](Cn3cc[nH+]c3C)C2)cc1F ZINC000082108806 473290952 /nfs/dbraw/zinc/29/09/52/473290952.db2.gz CWHGJMJUGNKMPW-AWEZNQCLSA-N 1 1 331.391 2.892 50 0 EFAAMO CC[C@H]1CN(C(=O)Cc2ccc(F)c(F)c2F)CC[N@H+]1C(C)C ZINC000082120183 473293113 /nfs/dbraw/zinc/29/31/13/473293113.db2.gz HNGAWGBHOCNLFR-ZDUSSCGKSA-N 1 1 328.378 2.978 50 0 EFAAMO CCOC(=O)n1nc(NC(=O)c2ccc(F)cc2)c2c1C(C)(C)[NH2+]C2 ZINC000145412286 473293155 /nfs/dbraw/zinc/29/31/55/473293155.db2.gz LXCRCKKAHORFTD-UHFFFAOYSA-N 1 1 346.362 2.617 50 0 EFAAMO Cc1cc(F)ccc1C[N@H+]1CCC[C@]2(CCC(=O)N(CCCO)C2)C1 ZINC000082147025 473295430 /nfs/dbraw/zinc/29/54/30/473295430.db2.gz KJMHWQNYNZOAEN-FQEVSTJZSA-N 1 1 348.462 2.721 50 0 EFAAMO Cc1cc(C)c(NC(=O)NCC[N@H+]2CCCC[C@H]2CO)c(Cl)c1 ZINC000096133770 473311544 /nfs/dbraw/zinc/31/15/44/473311544.db2.gz OUJDVGNJYWDMCY-AWEZNQCLSA-N 1 1 339.867 2.925 50 0 EFAAMO c1ccc(-n2nc(C3CCCC3)nc2CCC[NH+]2CCOCC2)nc1 ZINC000096141124 473312435 /nfs/dbraw/zinc/31/24/35/473312435.db2.gz OBXSBVGGISGGTJ-UHFFFAOYSA-N 1 1 341.459 2.585 50 0 EFAAMO O=C(CC[NH+]1CCCCC1)N1CCc2nc(-c3ccccc3)[nH]c2C1 ZINC000096139643 473312633 /nfs/dbraw/zinc/31/26/33/473312633.db2.gz OMNIXXJHKUFGEW-UHFFFAOYSA-N 1 1 338.455 2.837 50 0 EFAAMO Cc1nc(C(=O)NCC[N@H+]2CC[C@@H](c3ccccc3C)C2)cs1 ZINC000096150481 473315223 /nfs/dbraw/zinc/31/52/23/473315223.db2.gz RPLOGVQSXOWENG-OAHLLOKOSA-N 1 1 329.469 2.979 50 0 EFAAMO COCc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3C)C2)o1 ZINC000096162479 473321576 /nfs/dbraw/zinc/32/15/76/473321576.db2.gz QHZOFCFFMPOBBL-INIZCTEOSA-N 1 1 342.439 2.986 50 0 EFAAMO COc1ccc(-c2ccc([C@H](O)C[NH+]3CCOCC3)cc2)cc1F ZINC000096162496 473321920 /nfs/dbraw/zinc/32/19/20/473321920.db2.gz TTZHLOCNXKQRTR-GOSISDBHSA-N 1 1 331.387 2.867 50 0 EFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(C)cc(C)c2)C1 ZINC000000178154 471331634 /nfs/dbraw/zinc/33/16/34/471331634.db2.gz XVILRDKHULNENT-MRXNPFEDSA-N 1 1 332.444 2.907 50 0 EFAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2OC)C1 ZINC000000240430 471338592 /nfs/dbraw/zinc/33/85/92/471338592.db2.gz LFUNNQKKBSPAJW-HNNXBMFYSA-N 1 1 334.460 2.784 50 0 EFAAMO COc1ccccc1Nc1nc(N)nc(C[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000000537601 471369474 /nfs/dbraw/zinc/36/94/74/471369474.db2.gz DILOLUDXEVUMJH-BETUJISGSA-N 1 1 342.447 2.684 50 0 EFAAMO COc1ccccc1Nc1nc(N)nc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000000537601 471369478 /nfs/dbraw/zinc/36/94/78/471369478.db2.gz DILOLUDXEVUMJH-BETUJISGSA-N 1 1 342.447 2.684 50 0 EFAAMO COc1cccc(OC)c1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000000608963 471372179 /nfs/dbraw/zinc/37/21/79/471372179.db2.gz VIUMZUDSHKYSCY-KRWDZBQOSA-N 1 1 343.423 2.502 50 0 EFAAMO Cc1cc(=O)oc2cc(OC[C@@H](O)C[N@@H+]3CCC[C@H](C)C3)ccc12 ZINC000001522274 471392091 /nfs/dbraw/zinc/39/20/91/471392091.db2.gz UXDZYVBVMLGTGP-ZFWWWQNUSA-N 1 1 331.412 2.573 50 0 EFAAMO C[NH+](C)CCNc1nc(S(=O)(=O)c2ccccc2)c(Cl)s1 ZINC000002649231 471415150 /nfs/dbraw/zinc/41/51/50/471415150.db2.gz PPTXHJHOWCEROL-UHFFFAOYSA-N 1 1 345.877 2.603 50 0 EFAAMO O=C(CC[N@H+](CCO)Cc1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000004724981 471472021 /nfs/dbraw/zinc/47/20/21/471472021.db2.gz BONQYLULHXAPGO-UHFFFAOYSA-N 1 1 338.451 2.998 50 0 EFAAMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000005247209 471495700 /nfs/dbraw/zinc/49/57/00/471495700.db2.gz AMPYTXNFJQTCHU-JTQLQIEISA-N 1 1 337.272 2.756 50 0 EFAAMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000005247209 471495704 /nfs/dbraw/zinc/49/57/04/471495704.db2.gz AMPYTXNFJQTCHU-JTQLQIEISA-N 1 1 337.272 2.756 50 0 EFAAMO C[NH2+][C@H](c1nnnn1-c1ccc(Br)cc1)c1ccccc1 ZINC000006169496 471534376 /nfs/dbraw/zinc/53/43/76/471534376.db2.gz VJFPNLCBWDPCAJ-AWEZNQCLSA-N 1 1 344.216 2.734 50 0 EFAAMO Cc1[nH+]ccn1CCc1nc2cc(NC(=O)C(C)C)ccc2n1C ZINC000006665589 471559046 /nfs/dbraw/zinc/55/90/46/471559046.db2.gz UTCOOYXYYIYUNT-UHFFFAOYSA-N 1 1 325.416 2.915 50 0 EFAAMO O=C(CCc1cnccn1)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012028451 471762385 /nfs/dbraw/zinc/76/23/85/471762385.db2.gz VXOPCPCHRBLASV-GOSISDBHSA-N 1 1 330.476 2.570 50 0 EFAAMO Cc1ccc2oc(=O)cc(C[NH+]3CCN(c4ccccn4)CC3)c2c1 ZINC000012391390 471775094 /nfs/dbraw/zinc/77/50/94/471775094.db2.gz MITUYISPEKBQEO-UHFFFAOYSA-N 1 1 335.407 2.819 50 0 EFAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3ncc[nH]3)C2)cc1 ZINC000012445168 471776008 /nfs/dbraw/zinc/77/60/08/471776008.db2.gz ARZGPIJBIHJYPL-SFHVURJKSA-N 1 1 342.487 2.805 50 0 EFAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000012576109 471783350 /nfs/dbraw/zinc/78/33/50/471783350.db2.gz VVDAWQVNCQCVMB-GOSISDBHSA-N 1 1 341.499 2.642 50 0 EFAAMO CC[N@H+]1CCC[C@@H](CCC(=O)NCc2ccc(OC)cc2OC)C1 ZINC000012594641 471784899 /nfs/dbraw/zinc/78/48/99/471784899.db2.gz UVQKLPWJZIBVDO-HNNXBMFYSA-N 1 1 334.460 2.832 50 0 EFAAMO CC[N@H+]1CCC[C@H](CCC(=O)NCc2ccc(OC)cc2OC)C1 ZINC000012594647 471785190 /nfs/dbraw/zinc/78/51/90/471785190.db2.gz UVQKLPWJZIBVDO-OAHLLOKOSA-N 1 1 334.460 2.832 50 0 EFAAMO C[N@@H+](Cc1ccc(F)cc1)C[C@]1(O)CCCN(CC(C)(C)C)C1=O ZINC000012702617 471790435 /nfs/dbraw/zinc/79/04/35/471790435.db2.gz BGSMDKVTZZERLF-LJQANCHMSA-N 1 1 336.451 2.657 50 0 EFAAMO Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)c1ccccc1 ZINC000012866173 471802016 /nfs/dbraw/zinc/80/20/16/471802016.db2.gz CIBLAOJPPDFVED-UHFFFAOYSA-N 1 1 337.423 2.635 50 0 EFAAMO COc1ccc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000013669778 471837663 /nfs/dbraw/zinc/83/76/63/471837663.db2.gz HWAGRTXGUAYNPA-GASCZTMLSA-N 1 1 334.460 2.802 50 0 EFAAMO CC[C@H]1CCc2sc(C(=O)NCCC[NH+]3CCOCC3)cc2C1 ZINC000013744358 471842482 /nfs/dbraw/zinc/84/24/82/471842482.db2.gz OZABYSMMAXXOAW-AWEZNQCLSA-N 1 1 336.501 2.715 50 0 EFAAMO O=C1OCC[C@@H]2[C@@H]1[C@@H]1CCC[N@H+]1C21CCN(Cc2ccccc2)CC1 ZINC000014944188 471883042 /nfs/dbraw/zinc/88/30/42/471883042.db2.gz QTWXGPYSKRWGJN-CEXWTWQISA-N 1 1 340.467 2.679 50 0 EFAAMO CN(C(=O)C1CCOCC1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000015061708 471886182 /nfs/dbraw/zinc/88/61/82/471886182.db2.gz HUQRNPWLTQCZEA-LJQANCHMSA-N 1 1 330.472 2.579 50 0 EFAAMO CSc1ccc(C(=O)N[C@H]2CCC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000015076987 471888664 /nfs/dbraw/zinc/88/86/64/471888664.db2.gz SFFPWBSMJLHATP-INIZCTEOSA-N 1 1 347.528 2.697 50 0 EFAAMO CSc1ccc(C(=O)N[C@H]2CCC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000015076987 471888675 /nfs/dbraw/zinc/88/86/75/471888675.db2.gz SFFPWBSMJLHATP-INIZCTEOSA-N 1 1 347.528 2.697 50 0 EFAAMO CC[NH+]1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 ZINC000016580525 471941222 /nfs/dbraw/zinc/94/12/22/471941222.db2.gz DXKPEAQRTZVMKQ-UHFFFAOYSA-N 1 1 331.641 2.880 50 0 EFAAMO O[C@H](COC1CCCCC1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000016578641 471941579 /nfs/dbraw/zinc/94/15/79/471941579.db2.gz XFQRGMPDUTWLCJ-INIZCTEOSA-N 1 1 336.451 2.658 50 0 EFAAMO Cc1ccccc1OCC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000016580627 471942068 /nfs/dbraw/zinc/94/20/68/471942068.db2.gz QUFPXCDCHIPESN-UHFFFAOYSA-N 1 1 338.451 2.761 50 0 EFAAMO COc1ccc(CC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000016603496 471944036 /nfs/dbraw/zinc/94/40/36/471944036.db2.gz SXDRWXKRKOOMIM-UHFFFAOYSA-N 1 1 338.451 2.625 50 0 EFAAMO O=C(COc1ccccc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016604628 471944303 /nfs/dbraw/zinc/94/43/03/471944303.db2.gz MARZEOLGHHDJMR-UHFFFAOYSA-N 1 1 328.387 2.549 50 0 EFAAMO O=C(NC[C@H]1CC[N@H+](C2CCCC2)C1)Nc1ccc2c(c1)OCCO2 ZINC000016623856 471944388 /nfs/dbraw/zinc/94/43/88/471944388.db2.gz LEXZPVZERYIEBO-CQSZACIVSA-N 1 1 345.443 2.844 50 0 EFAAMO O=C(COc1ccccc1F)N1CC[NH+](CCc2ccccc2)CC1 ZINC000016604187 471944705 /nfs/dbraw/zinc/94/47/05/471944705.db2.gz CASGGLZQGRFCJX-UHFFFAOYSA-N 1 1 342.414 2.591 50 0 EFAAMO COc1ccc(F)c(CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)c1 ZINC000039429871 472024489 /nfs/dbraw/zinc/02/44/89/472024489.db2.gz NMNBKMAXVMUBQI-QGZVFWFLSA-N 1 1 336.451 2.646 50 0 EFAAMO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000023115063 472026287 /nfs/dbraw/zinc/02/62/87/472026287.db2.gz KVOUIDDAUNJCML-KRWDZBQOSA-N 1 1 344.430 2.696 50 0 EFAAMO C[C@H](Oc1ccc(F)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000024146828 472047874 /nfs/dbraw/zinc/04/78/74/472047874.db2.gz DJHPQTBCNYGDFH-INIZCTEOSA-N 1 1 342.414 2.937 50 0 EFAAMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(N3CCCCC3)nc2)C1 ZINC000067587170 472053478 /nfs/dbraw/zinc/05/34/78/472053478.db2.gz KZZAIWWBZCFGAZ-KRWDZBQOSA-N 1 1 344.503 2.780 50 0 EFAAMO O=C(CCc1cccnc1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000041363743 472058238 /nfs/dbraw/zinc/05/82/38/472058238.db2.gz FAHXTJXWEMWVDC-UHFFFAOYSA-N 1 1 329.469 2.810 50 0 EFAAMO Nc1nc(N2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)cc[nH+]1 ZINC000067712594 472078422 /nfs/dbraw/zinc/07/84/22/472078422.db2.gz RMIOOKSHDLYUDG-ZDUSSCGKSA-N 1 1 338.390 2.972 50 0 EFAAMO CNc1ccc(C)cc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000067878939 472103396 /nfs/dbraw/zinc/10/33/96/472103396.db2.gz QJWWSFUNGIBZLC-INIZCTEOSA-N 1 1 338.455 2.684 50 0 EFAAMO CN(C)c1cc[nH+]c(N2CCC[C@](CO)(Cc3ccccc3F)C2)n1 ZINC000067885380 472104155 /nfs/dbraw/zinc/10/41/55/472104155.db2.gz YKGUSDPKLWSJBJ-IBGZPJMESA-N 1 1 344.434 2.503 50 0 EFAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)N(Cc1ccccn1)C[C@H]1CCCO1 ZINC000055414875 472182749 /nfs/dbraw/zinc/18/27/49/472182749.db2.gz HMZLLZQIJPKLFT-ZIFCJYIRSA-N 1 1 345.487 2.852 50 0 EFAAMO CC[C@H]1CN(C(=O)c2ccc(NCC3CC3)nc2)CC[N@H+]1C(C)C ZINC000085538293 472256131 /nfs/dbraw/zinc/25/61/31/472256131.db2.gz YDAOCDPAHYFQKR-KRWDZBQOSA-N 1 1 330.476 2.848 50 0 EFAAMO Cc1noc(C)c1CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000029773378 472296056 /nfs/dbraw/zinc/29/60/56/472296056.db2.gz RJTGQGHKMVCEPY-UHFFFAOYSA-N 1 1 345.418 2.708 50 0 EFAAMO Cc1noc(C)c1CC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000029773378 472296062 /nfs/dbraw/zinc/29/60/62/472296062.db2.gz RJTGQGHKMVCEPY-UHFFFAOYSA-N 1 1 345.418 2.708 50 0 EFAAMO O=C(Cn1ccc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000044450202 472308840 /nfs/dbraw/zinc/30/88/40/472308840.db2.gz RPRHSLXXDVPSBB-UHFFFAOYSA-N 1 1 333.435 2.986 50 0 EFAAMO Cn1cc(C(=O)NCC[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000030318861 472327644 /nfs/dbraw/zinc/32/76/44/472327644.db2.gz BGLNSAAEKAKORO-UHFFFAOYSA-N 1 1 333.435 2.966 50 0 EFAAMO COc1ccccc1OCC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000069416143 472337122 /nfs/dbraw/zinc/33/71/22/472337122.db2.gz FPTBZTCFNBNTSR-INIZCTEOSA-N 1 1 327.428 2.903 50 0 EFAAMO Cn1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000069454078 472347288 /nfs/dbraw/zinc/34/72/88/472347288.db2.gz PLHQDJNAVFKZIO-RBUKOAKNSA-N 1 1 338.455 2.689 50 0 EFAAMO CC[C@H](C)NC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955075 472355341 /nfs/dbraw/zinc/35/53/41/472355341.db2.gz PDUNTBOSAQKMND-AWEZNQCLSA-N 1 1 342.443 2.863 50 0 EFAAMO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1)c1csnn1 ZINC000032497963 472441560 /nfs/dbraw/zinc/44/15/60/472441560.db2.gz HOFKFPFEYPLOAJ-CQSZACIVSA-N 1 1 336.848 2.758 50 0 EFAAMO COc1cc(C)c(C[N@@H+]2CCNC(=O)[C@@H]2Cc2ccccc2)cc1C ZINC000097137347 472458103 /nfs/dbraw/zinc/45/81/03/472458103.db2.gz APUZYMPEFCPLGR-IBGZPJMESA-N 1 1 338.451 2.855 50 0 EFAAMO COc1cc(C)c(C[N@H+]2CCNC(=O)[C@@H]2Cc2ccccc2)cc1C ZINC000097137347 472458109 /nfs/dbraw/zinc/45/81/09/472458109.db2.gz APUZYMPEFCPLGR-IBGZPJMESA-N 1 1 338.451 2.855 50 0 EFAAMO Cc1ccc(NC[C@H]2CC[N@@H+](CCC(=O)NC3CCCC3)C2)nc1 ZINC000097200528 472477256 /nfs/dbraw/zinc/47/72/56/472477256.db2.gz DWMCIPNCNVHROJ-MRXNPFEDSA-N 1 1 330.476 2.573 50 0 EFAAMO Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc4c(c3)OC(=O)C4)C2)n1 ZINC000097200546 472477683 /nfs/dbraw/zinc/47/76/83/472477683.db2.gz KJTFJZOVEYJDAE-MRXNPFEDSA-N 1 1 337.423 2.786 50 0 EFAAMO CCOc1nnc(CN2CC[C@H](CNc3ccc(C)c[nH+]3)C2)s1 ZINC000097200523 472478107 /nfs/dbraw/zinc/47/81/07/472478107.db2.gz AOUARJVLEJJNBS-CYBMUJFWSA-N 1 1 333.461 2.574 50 0 EFAAMO Cc1ccc(NC[C@@H]2CC[N@H+](Cc3nc(-c4ccco4)no3)C2)nc1 ZINC000097200823 472478331 /nfs/dbraw/zinc/47/83/31/472478331.db2.gz RTIUKNPYSFGOBG-AWEZNQCLSA-N 1 1 339.399 2.967 50 0 EFAAMO Cc1ccc(NC[C@@H]2CC[N@@H+](Cc3nc(-c4ccco4)no3)C2)nc1 ZINC000097200823 472478340 /nfs/dbraw/zinc/47/83/40/472478340.db2.gz RTIUKNPYSFGOBG-AWEZNQCLSA-N 1 1 339.399 2.967 50 0 EFAAMO Cc1ccnc(NC[C@H]2CC[N@@H+](CCC(=O)NC3CCCC3)C2)c1 ZINC000097200814 472478457 /nfs/dbraw/zinc/47/84/57/472478457.db2.gz PHPRUUQYUUHOLK-MRXNPFEDSA-N 1 1 330.476 2.573 50 0 EFAAMO COc1ccc(-c2ccc(C(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)o2)cc1 ZINC000077287416 472494130 /nfs/dbraw/zinc/49/41/30/472494130.db2.gz QVGCDCQFZDKYBG-GOEBONIOSA-N 1 1 326.396 2.731 50 0 EFAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1ccc2n[nH]nc2c1 ZINC000077287079 472494436 /nfs/dbraw/zinc/49/44/36/472494436.db2.gz WOZIKSXHBBJKNJ-OAHLLOKOSA-N 1 1 338.415 2.548 50 0 EFAAMO Cc1[nH+]ccn1CC(=O)N1CCc2[nH]c3c(cccc3Cl)c2C1 ZINC000077299672 472497002 /nfs/dbraw/zinc/49/70/02/472497002.db2.gz AUKISYSAAPITLM-UHFFFAOYSA-N 1 1 328.803 2.911 50 0 EFAAMO Cc1c(C(=O)NCC[N@H+]2CCCC[C@@H]2CO)[nH]c2c1c(C)ccc2C ZINC000097492563 472497781 /nfs/dbraw/zinc/49/77/81/472497781.db2.gz ZDKPIAMYOOKOFH-MRXNPFEDSA-N 1 1 343.471 2.670 50 0 EFAAMO Cc1c(C(=O)NCC[N@H+]2CCCC[C@H]2CO)[nH]c2c1c(C)ccc2C ZINC000097492564 472497806 /nfs/dbraw/zinc/49/78/06/472497806.db2.gz ZDKPIAMYOOKOFH-INIZCTEOSA-N 1 1 343.471 2.670 50 0 EFAAMO CC(C)[N@H+]1CCO[C@@H](CC(=O)NCc2ccccc2C(F)(F)F)C1 ZINC000097546628 472499145 /nfs/dbraw/zinc/49/91/45/472499145.db2.gz OUEKCHKKEBEQPP-AWEZNQCLSA-N 1 1 344.377 2.821 50 0 EFAAMO Cc1cc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)n(C)n1 ZINC000077337495 472505898 /nfs/dbraw/zinc/50/58/98/472505898.db2.gz LTCBDJRMIHUSBY-UHFFFAOYSA-N 1 1 340.471 2.509 50 0 EFAAMO CCCC[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000077354618 472511100 /nfs/dbraw/zinc/51/11/00/472511100.db2.gz DZACWKMTGTVCNO-SFHVURJKSA-N 1 1 326.444 2.705 50 0 EFAAMO CCCC[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000077354618 472511104 /nfs/dbraw/zinc/51/11/04/472511104.db2.gz DZACWKMTGTVCNO-SFHVURJKSA-N 1 1 326.444 2.705 50 0 EFAAMO c1cn(CC[C@H]2CCCC[N@H+]2Cc2cnc(N3CCCC3)nc2)cn1 ZINC000077354665 472511377 /nfs/dbraw/zinc/51/13/77/472511377.db2.gz VOIQBDWFFHCCBA-GOSISDBHSA-N 1 1 340.475 2.718 50 0 EFAAMO O=C(CC[NH+]1CCN(C(=O)C2CCC2)CC1)Nc1ccc(Cl)cc1 ZINC000077381467 472516185 /nfs/dbraw/zinc/51/61/85/472516185.db2.gz VVSLSHVKEAYDAT-UHFFFAOYSA-N 1 1 349.862 2.613 50 0 EFAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1ccc2c(c1)CCO2 ZINC000077385913 472518327 /nfs/dbraw/zinc/51/83/27/472518327.db2.gz RAOXHMOKESYHNF-LJQANCHMSA-N 1 1 336.435 2.750 50 0 EFAAMO CCc1[nH+]ccn1CCC(=O)N1CCN(c2ccccc2C)C[C@@H]1C ZINC000077393420 472519567 /nfs/dbraw/zinc/51/95/67/472519567.db2.gz HYLGUGJPWOPEBB-KRWDZBQOSA-N 1 1 340.471 2.881 50 0 EFAAMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)cc1C ZINC000077406142 472520996 /nfs/dbraw/zinc/52/09/96/472520996.db2.gz MRQNGCIOFHUXRB-HXUWFJFHSA-N 1 1 330.472 2.500 50 0 EFAAMO Cc1c[nH+]ccc1N1CCCN(Cc2ccc(N(C)C)nc2)CC1 ZINC000077407064 472522118 /nfs/dbraw/zinc/52/21/18/472522118.db2.gz OMKIGVKTIGEGAG-UHFFFAOYSA-N 1 1 325.460 2.563 50 0 EFAAMO O=C1CC[C@]2(CCC[N@@H+](Cc3cccc(Cl)c3)C2)CN1CCO ZINC000077438812 472527451 /nfs/dbraw/zinc/52/74/51/472527451.db2.gz YCCKORRBRLTUCL-SFHVURJKSA-N 1 1 336.863 2.537 50 0 EFAAMO CCCCN1C[C@]2(CCC[N@H+](Cc3nccn3CC)C2)CCC1=O ZINC000077438776 472527698 /nfs/dbraw/zinc/52/76/98/472527698.db2.gz PTIHBEQQZPPZCM-LJQANCHMSA-N 1 1 332.492 2.908 50 0 EFAAMO CCCCN1C[C@]2(CCC[N@@H+](Cc3nccn3CC)C2)CCC1=O ZINC000077438776 472527704 /nfs/dbraw/zinc/52/77/04/472527704.db2.gz PTIHBEQQZPPZCM-LJQANCHMSA-N 1 1 332.492 2.908 50 0 EFAAMO COc1ccc(OC)c([C@@H]2CC[N@@H+](CC(C)(C)N3CCOCC3)C2)c1 ZINC000077452810 472530029 /nfs/dbraw/zinc/53/00/29/472530029.db2.gz NFHSTORMAMBJEB-MRXNPFEDSA-N 1 1 348.487 2.604 50 0 EFAAMO O=C1CC[C@]2(CCCN(c3[nH+]cnc4[nH]ccc43)C2)CN1CC1CC1 ZINC000077504827 472540862 /nfs/dbraw/zinc/54/08/62/472540862.db2.gz PPXSYDPWUPUKMS-IBGZPJMESA-N 1 1 339.443 2.577 50 0 EFAAMO CC(C)=CC(=O)NC[C@@H]1CC[N@@H+](Cc2cc3c(cc2C)OCO3)C1 ZINC000071278782 472545818 /nfs/dbraw/zinc/54/58/18/472545818.db2.gz ALXPKLJPKDPTOU-HNNXBMFYSA-N 1 1 330.428 2.628 50 0 EFAAMO CC(C)c1nccc(C[N@H+]2CCCC[C@H]2CCN2CCCC2=O)n1 ZINC000077520130 472546060 /nfs/dbraw/zinc/54/60/60/472546060.db2.gz YMBZROPEZRNYJO-KRWDZBQOSA-N 1 1 330.476 2.967 50 0 EFAAMO Cc1ccccc1-n1cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)cn1 ZINC000071404012 472550286 /nfs/dbraw/zinc/55/02/86/472550286.db2.gz VLDBXENNBXLVQF-GOSISDBHSA-N 1 1 338.455 2.768 50 0 EFAAMO Cc1ccccc1-n1cc(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)cn1 ZINC000071404012 472550291 /nfs/dbraw/zinc/55/02/91/472550291.db2.gz VLDBXENNBXLVQF-GOSISDBHSA-N 1 1 338.455 2.768 50 0 EFAAMO CN1CCC([N@H+]2CCC[C@H](C(=O)NC(C)(C)c3ccccc3)C2)CC1 ZINC000071613784 472553114 /nfs/dbraw/zinc/55/31/14/472553114.db2.gz GXDNHTNVQARGHA-KRWDZBQOSA-N 1 1 343.515 2.844 50 0 EFAAMO COc1ccc2cc([C@H]3CN(c4cc[nH+]c(N)n4)CCO3)ccc2c1 ZINC000071615263 472554558 /nfs/dbraw/zinc/55/45/58/472554558.db2.gz WAQYNWMITVUSPO-QGZVFWFLSA-N 1 1 336.395 2.799 50 0 EFAAMO COc1ccc(OC)c(-c2nc(C[N@@H+]3CCC[C@H](O)C3)c(C)o2)c1 ZINC000071746658 472558937 /nfs/dbraw/zinc/55/89/37/472558937.db2.gz GDCRCEJGTVEXEZ-ZDUSSCGKSA-N 1 1 332.400 2.624 50 0 EFAAMO COc1ccc(OC)c(-c2nc(C[N@H+]3CCC[C@H](O)C3)c(C)o2)c1 ZINC000071746658 472558944 /nfs/dbraw/zinc/55/89/44/472558944.db2.gz GDCRCEJGTVEXEZ-ZDUSSCGKSA-N 1 1 332.400 2.624 50 0 EFAAMO CNC(=O)[C@H]1CC[N@@H+](Cc2nc(-c3ccc(SC)cc3)oc2C)C1 ZINC000071759851 472561510 /nfs/dbraw/zinc/56/15/10/472561510.db2.gz BDFNPUVJQPXBMK-AWEZNQCLSA-N 1 1 345.468 2.940 50 0 EFAAMO Cc1cc(C)c(C(=O)N2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)c(=O)[nH]1 ZINC000071762813 472561938 /nfs/dbraw/zinc/56/19/38/472561938.db2.gz AVULNAQWGOTTFA-KRWDZBQOSA-N 1 1 345.487 2.574 50 0 EFAAMO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@H+](C)C[C@H](O)CO ZINC000071767453 472562715 /nfs/dbraw/zinc/56/27/15/472562715.db2.gz UFZVNTHDCMDBKC-KRWDZBQOSA-N 1 1 326.396 2.588 50 0 EFAAMO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@@H+](C)C[C@H](O)CO ZINC000071767453 472562720 /nfs/dbraw/zinc/56/27/20/472562720.db2.gz UFZVNTHDCMDBKC-KRWDZBQOSA-N 1 1 326.396 2.588 50 0 EFAAMO Cc1nn(C)c(N(C)C)c1C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000058421557 472567784 /nfs/dbraw/zinc/56/77/84/472567784.db2.gz PGSUYGYSTGJWBY-MRXNPFEDSA-N 1 1 332.423 2.937 50 0 EFAAMO CCOC(=O)CCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072154214 472631585 /nfs/dbraw/zinc/63/15/85/472631585.db2.gz HRNKQLAHCXFDHD-HMXCVIKNSA-N 1 1 342.483 2.892 50 0 EFAAMO CCOC(=O)CCCN1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072154214 472631588 /nfs/dbraw/zinc/63/15/88/472631588.db2.gz HRNKQLAHCXFDHD-HMXCVIKNSA-N 1 1 342.483 2.892 50 0 EFAAMO Cc1nnnn1CCC[N@H+]1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000072160918 472631856 /nfs/dbraw/zinc/63/18/56/472631856.db2.gz HFRZOBSPGRSCJR-HNNXBMFYSA-N 1 1 349.429 2.995 50 0 EFAAMO C[NH+]1CCN(C(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)CC1 ZINC000072168922 472632715 /nfs/dbraw/zinc/63/27/15/472632715.db2.gz FOKAHVMYXQGCPP-QGZVFWFLSA-N 1 1 331.460 2.547 50 0 EFAAMO Nc1cc[nH+]c(N[C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)n1 ZINC000072421704 472663765 /nfs/dbraw/zinc/66/37/65/472663765.db2.gz FTILVZSYNRNCDN-LLVKDONJSA-N 1 1 338.337 2.554 50 0 EFAAMO CN1CC[N@@H+](CCCCCF)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091270487 472749922 /nfs/dbraw/zinc/74/99/22/472749922.db2.gz IKYUCSJAUOBWKB-IBGZPJMESA-N 1 1 339.499 2.535 50 0 EFAAMO C[N@@H+]1CCN(CCCCCF)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091270487 472749926 /nfs/dbraw/zinc/74/99/26/472749926.db2.gz IKYUCSJAUOBWKB-IBGZPJMESA-N 1 1 339.499 2.535 50 0 EFAAMO C[N@H+]1CCN(CCCCCF)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091270487 472749932 /nfs/dbraw/zinc/74/99/32/472749932.db2.gz IKYUCSJAUOBWKB-IBGZPJMESA-N 1 1 339.499 2.535 50 0 EFAAMO CCc1nnc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C3)o1 ZINC000091636174 472788791 /nfs/dbraw/zinc/78/87/91/472788791.db2.gz IEJMIHKGMKAABJ-DOTOQJQBSA-N 1 1 344.434 2.868 50 0 EFAAMO Cc1cccc(N2CCC([N@H+]3CC[C@]4(C3)CCCNC4=O)CC2)c1C ZINC000091663621 472790899 /nfs/dbraw/zinc/79/08/99/472790899.db2.gz GXKLQZGLYQDSQA-NRFANRHFSA-N 1 1 341.499 2.874 50 0 EFAAMO CCc1nc(C)c(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)s1 ZINC000073305316 472795244 /nfs/dbraw/zinc/79/52/44/472795244.db2.gz KCEPGRPPUMOKNK-UHFFFAOYSA-N 1 1 346.456 2.766 50 0 EFAAMO Cn1c(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)cc2cccc(Cl)c21 ZINC000091713474 472797816 /nfs/dbraw/zinc/79/78/16/472797816.db2.gz SHZYXBZTTIATPV-GXTWGEPZSA-N 1 1 331.847 2.998 50 0 EFAAMO Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)NC(C)(C)CNc1cccc(Cl)c1 ZINC000091793017 472808246 /nfs/dbraw/zinc/80/82/46/472808246.db2.gz YNNFKLPKUHWPLO-OAHLLOKOSA-N 1 1 349.866 2.687 50 0 EFAAMO CCCCOc1c(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)cccc1OC ZINC000063857393 472821395 /nfs/dbraw/zinc/82/13/95/472821395.db2.gz GTALIXPAKQUZEU-INIZCTEOSA-N 1 1 334.460 2.927 50 0 EFAAMO CCCCOc1c(C[N@H+]2CCC[C@H]2C(=O)N(C)C)cccc1OC ZINC000063857393 472821403 /nfs/dbraw/zinc/82/14/03/472821403.db2.gz GTALIXPAKQUZEU-INIZCTEOSA-N 1 1 334.460 2.927 50 0 EFAAMO Cc1ccc2c(c1)c(CNC(=O)CC[C@H]1CCC[N@@H+](C)C1)nn2C ZINC000092020203 472845439 /nfs/dbraw/zinc/84/54/39/472845439.db2.gz XGWBHSPTCXGAFB-OAHLLOKOSA-N 1 1 328.460 2.620 50 0 EFAAMO O=C([C@@H]1CCCO1)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000106638365 472875467 /nfs/dbraw/zinc/87/54/67/472875467.db2.gz PEQFSIVACLVVNV-OTWHNJEPSA-N 1 1 328.456 2.821 50 0 EFAAMO CC(C)c1nc(N2CC[N@@H+](CC3CCCCC3)[C@@H](CCO)C2)no1 ZINC000106946629 472917875 /nfs/dbraw/zinc/91/78/75/472917875.db2.gz SPFXZYJYFBEXKT-INIZCTEOSA-N 1 1 336.480 2.646 50 0 EFAAMO C[NH+](C)[C@H](C(=O)NCc1cnc2c(c1)CCC2)c1cccc(F)c1 ZINC000065370285 472926899 /nfs/dbraw/zinc/92/68/99/472926899.db2.gz QGODBAJGBNTGNG-SFHVURJKSA-N 1 1 327.403 2.629 50 0 EFAAMO C[N@@H+](CCC(=O)NC1CCCCC1)C[C@@H]1COc2ccccc2O1 ZINC000065373747 472927685 /nfs/dbraw/zinc/92/76/85/472927685.db2.gz RWDKUEUUDMSRTE-MRXNPFEDSA-N 1 1 332.444 2.597 50 0 EFAAMO CC[N@H+]1CCC[C@@](C)(C(=O)NCc2ccc(-c3noc(C)n3)cc2)C1 ZINC000065382678 472929822 /nfs/dbraw/zinc/92/98/22/472929822.db2.gz RLCVBAAZHHKUKO-LJQANCHMSA-N 1 1 342.443 2.783 50 0 EFAAMO 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Cn1ccnc1[C@H](O)C1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000215507529 241128326 /nfs/dbraw/zinc/12/83/26/241128326.db2.gz DYTGFORZQBRFSN-QGZVFWFLSA-N 1 1 346.500 2.701 50 0 EFAAMO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cnc(-c2cccc(OC)c2)s1 ZINC000215560033 241130676 /nfs/dbraw/zinc/13/06/76/241130676.db2.gz DSARAHUGGBDOGP-MRXNPFEDSA-N 1 1 345.468 2.919 50 0 EFAAMO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cnc(-c2cccc(OC)c2)s1 ZINC000215560033 241130684 /nfs/dbraw/zinc/13/06/84/241130684.db2.gz DSARAHUGGBDOGP-MRXNPFEDSA-N 1 1 345.468 2.919 50 0 EFAAMO C[NH+]1CCN(Cc2ccccc2C(=O)c2ccc(F)cc2F)CC1 ZINC000022028254 212272139 /nfs/dbraw/zinc/27/21/39/212272139.db2.gz IDNCIHPNLCGBEK-UHFFFAOYSA-N 1 1 330.378 2.943 50 0 EFAAMO CCOC(=O)CCCCC(=O)c1ccccc1CN1CC[NH+](C)CC1 ZINC000022028282 212272060 /nfs/dbraw/zinc/27/20/60/212272060.db2.gz QDCOTDKDXFOBKX-UHFFFAOYSA-N 1 1 346.471 2.740 50 0 EFAAMO C[NH+]1CCN(Cc2ccc(C(=O)c3ccc(F)cc3F)cc2)CC1 ZINC000022027955 212270903 /nfs/dbraw/zinc/27/09/03/212270903.db2.gz 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212186333 /nfs/dbraw/zinc/18/63/33/212186333.db2.gz KBCBRBLTNBXSQF-HXUWFJFHSA-N 1 1 330.472 2.721 50 0 EFAAMO C[N@@H+](CCn1ccc2ccccc21)Cc1cc(=O)n2ccsc2n1 ZINC000244700856 243061167 /nfs/dbraw/zinc/06/11/67/243061167.db2.gz JVGJBQLMFNXJKG-UHFFFAOYSA-N 1 1 338.436 2.843 50 0 EFAAMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](Cc2cc(-c3ccncc3)no2)C1 ZINC000244718680 243065235 /nfs/dbraw/zinc/06/52/35/243065235.db2.gz LOWPHTIGRNDXKV-ZBFHGGJFSA-N 1 1 348.406 2.518 50 0 EFAAMO O=S(=O)(c1cccc(Cl)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000244218984 243038189 /nfs/dbraw/zinc/03/81/89/243038189.db2.gz VYSFJDALUXEEDD-UHFFFAOYSA-N 1 1 342.892 2.979 50 0 EFAAMO CC[C@H](C(=O)NC1CCCC1)[N@H+](C)Cc1cnc2ccccc2n1 ZINC000244564004 243039005 /nfs/dbraw/zinc/03/90/05/243039005.db2.gz CLARUUHOUXRPOJ-GOSISDBHSA-N 1 1 326.444 2.899 50 0 EFAAMO CC[C@H](C(=O)NC1CCCC1)[N@@H+](C)Cc1cnc2ccccc2n1 ZINC000244564004 243039007 /nfs/dbraw/zinc/03/90/07/243039007.db2.gz CLARUUHOUXRPOJ-GOSISDBHSA-N 1 1 326.444 2.899 50 0 EFAAMO C[C@H](Cc1cnccn1)[N@@H+](C)CCC(=O)Nc1ccc2c(c1)CCC2 ZINC000244601803 243041161 /nfs/dbraw/zinc/04/11/61/243041161.db2.gz DRZUUJFMMZVXKT-OAHLLOKOSA-N 1 1 338.455 2.857 50 0 EFAAMO O=C(CC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1)NCc1cccs1 ZINC000244564059 243041816 /nfs/dbraw/zinc/04/18/16/243041816.db2.gz CLVHBAPVIOBJDD-KRWDZBQOSA-N 1 1 348.443 2.967 50 0 EFAAMO O=C(CC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1)NCc1cccs1 ZINC000244564059 243041823 /nfs/dbraw/zinc/04/18/23/243041823.db2.gz CLVHBAPVIOBJDD-KRWDZBQOSA-N 1 1 348.443 2.967 50 0 EFAAMO COc1c[nH]c(C[N@H+]2CCC[C@H](c3nc(CC(C)C)no3)C2)cc1=O ZINC000244773954 243078665 /nfs/dbraw/zinc/07/86/65/243078665.db2.gz PJIXTUFMBLIWDT-ZDUSSCGKSA-N 1 1 346.431 2.757 50 0 EFAAMO CC(C)c1nc(CN2CCC[N@H+](C3Cc4ccccc4C3)CC2)no1 ZINC000244811547 243084235 /nfs/dbraw/zinc/08/42/35/243084235.db2.gz SGPKSZYIKHZPEM-UHFFFAOYSA-N 1 1 340.471 2.868 50 0 EFAAMO CC[C@H](C)c1ccc(NC(=O)C[NH+]2CCC3(CNC(=O)C3)CC2)cc1 ZINC000244875048 243093398 /nfs/dbraw/zinc/09/33/98/243093398.db2.gz 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/nfs/dbraw/zinc/13/60/05/212136005.db2.gz KKRUJNOKXCJHQF-MRXNPFEDSA-N 1 1 341.282 2.957 50 0 EFAAMO C[C@@]1(C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1(Cl)Cl ZINC000020472597 212136042 /nfs/dbraw/zinc/13/60/42/212136042.db2.gz KKRUJNOKXCJHQF-INIZCTEOSA-N 1 1 341.282 2.957 50 0 EFAAMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc(=O)c4cccc(F)c4[nH]3)C2)[nH]1 ZINC000253536447 244013948 /nfs/dbraw/zinc/01/39/48/244013948.db2.gz FXFKKZKEUUCSKZ-GFCCVEGCSA-N 1 1 341.390 2.886 50 0 EFAAMO CN1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccc(Cl)c3)C2)CC1 ZINC000020451392 212130097 /nfs/dbraw/zinc/13/00/97/212130097.db2.gz CVXRSZDOPNZLRN-INIZCTEOSA-N 1 1 349.906 2.762 50 0 EFAAMO OCC[C@@H]1C[N@H+](Cc2ccco2)CCN1Cc1ccc(F)c(F)c1 ZINC000020450451 212130017 /nfs/dbraw/zinc/13/00/17/212130017.db2.gz VKGVOWXKNZHEFV-OAHLLOKOSA-N 1 1 336.382 2.627 50 0 EFAAMO OCC[C@@H]1C[N@@H+](Cc2ccco2)CCN1Cc1ccc(F)c(F)c1 ZINC000020450451 212130019 /nfs/dbraw/zinc/13/00/19/212130019.db2.gz VKGVOWXKNZHEFV-OAHLLOKOSA-N 1 1 336.382 2.627 50 0 EFAAMO COc1ccc2[nH]c(CN3CC[N@@H+](C(C)C)[C@@H](CCO)C3)c(C)c2c1 ZINC000020455946 212131823 /nfs/dbraw/zinc/13/18/23/212131823.db2.gz QRYAYZSWMIMOPL-INIZCTEOSA-N 1 1 345.487 2.762 50 0 EFAAMO Cc1cc(CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)cc(C)c1O ZINC000020210124 212112478 /nfs/dbraw/zinc/11/24/78/212112478.db2.gz CKDXQVALOJRKPH-IBGZPJMESA-N 1 1 332.488 2.820 50 0 EFAAMO CC(C)[N@H+]1CCN(Cc2ccccc2C(F)(F)F)C[C@@H]1CCO ZINC000020203541 212111007 /nfs/dbraw/zinc/11/10/07/212111007.db2.gz QMTJTRVMOUJAOT-HNNXBMFYSA-N 1 1 330.394 2.982 50 0 EFAAMO Clc1ccc2[nH]c3c(ncnc3NCCC[NH+]3CCOCC3)c2c1 ZINC000020191037 212109129 /nfs/dbraw/zinc/10/91/29/212109129.db2.gz ULJISGNQAXNPOC-UHFFFAOYSA-N 1 1 345.834 2.899 50 0 aggregator,in-vivo EFAAMO C[NH+](C)CCCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000020100353 212100752 /nfs/dbraw/zinc/10/07/52/212100752.db2.gz HQSYRJLHUCEGSN-UHFFFAOYSA-N 1 1 337.895 2.620 50 0 EFAAMO CC(C)(C)c1ccc(Cn2c3ccccc3n(CC(N)=O)c2=[NH2+])cc1 ZINC000020100710 212100647 /nfs/dbraw/zinc/10/06/47/212100647.db2.gz XZOIWLBDTQWIFZ-UHFFFAOYSA-N 1 1 336.439 2.753 50 0 EFAAMO O=C(C1CC[NH+](Cc2c(F)cccc2Cl)CC1)N1CCOCC1 ZINC000020100597 212100435 /nfs/dbraw/zinc/10/04/35/212100435.db2.gz NWVVULBRUQBXDN-UHFFFAOYSA-N 1 1 340.826 2.550 50 0 EFAAMO Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000019939656 212087712 /nfs/dbraw/zinc/08/77/12/212087712.db2.gz JNKQRGCGIHNQMV-SFHVURJKSA-N 1 1 344.434 2.512 50 0 EFAAMO Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000019939654 212087218 /nfs/dbraw/zinc/08/72/18/212087218.db2.gz JNKQRGCGIHNQMV-GOSISDBHSA-N 1 1 344.434 2.512 50 0 EFAAMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000019956779 212089654 /nfs/dbraw/zinc/08/96/54/212089654.db2.gz DEQCLMVGATVMOO-NTZNESFSSA-N 1 1 334.243 2.842 50 0 EFAAMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000019956779 212089655 /nfs/dbraw/zinc/08/96/55/212089655.db2.gz DEQCLMVGATVMOO-NTZNESFSSA-N 1 1 334.243 2.842 50 0 EFAAMO CC(C)C[N@H+]1CCN(Cc2cn(C)c3ccccc23)C[C@@H]1CCO ZINC000019865937 212077371 /nfs/dbraw/zinc/07/73/71/212077371.db2.gz KGGIVTRYUGCJES-SFHVURJKSA-N 1 1 329.488 2.703 50 0 EFAAMO O=c1cc(C2CC2)nc(-c2ccc(C[N@H+]3CCCOCC3)cc2)[nH]1 ZINC000019853206 212076861 /nfs/dbraw/zinc/07/68/61/212076861.db2.gz UOTQHHLBBYJMOY-UHFFFAOYSA-N 1 1 325.412 2.537 50 0 EFAAMO O=C(NCCC[NH+]1CCOCC1)Nc1c(Cl)cccc1Cl ZINC000019834102 212073286 /nfs/dbraw/zinc/07/32/86/212073286.db2.gz QYSDVZRMEWGEJL-UHFFFAOYSA-N 1 1 332.231 2.837 50 0 EFAAMO Cc1ccccc1C[N@H+]1CCN(Cc2ccc(O)cc2)C[C@@H]1CCO ZINC000019836317 212074572 /nfs/dbraw/zinc/07/45/72/212074572.db2.gz UBLHZSBALWAUHB-FQEVSTJZSA-N 1 1 340.467 2.769 50 0 EFAAMO Cc1cccc(CN2CC[N@H+](Cc3ccsc3)C[C@@H]2CCO)n1 ZINC000019790638 212068143 /nfs/dbraw/zinc/06/81/43/212068143.db2.gz JQMSLRZJSFHBAF-SFHVURJKSA-N 1 1 331.485 2.520 50 0 EFAAMO Cc1cccc(CN2CC[N@@H+](Cc3ccsc3)C[C@@H]2CCO)n1 ZINC000019790638 212068146 /nfs/dbraw/zinc/06/81/46/212068146.db2.gz JQMSLRZJSFHBAF-SFHVURJKSA-N 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O=C(NC[C@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CCSCC1 ZINC000426727382 247293671 /nfs/dbraw/zinc/29/36/71/247293671.db2.gz HWCFMFCEMFVDLQ-GOSISDBHSA-N 1 1 347.528 2.700 50 0 EFAAMO Cc1cc(C(=O)NC[C@H]2COCC[N@H+](C)C2)c2cccc(Cl)c2n1 ZINC000426361882 247266673 /nfs/dbraw/zinc/26/66/73/247266673.db2.gz CXQYBJTWDRUMOL-CYBMUJFWSA-N 1 1 347.846 2.505 50 0 EFAAMO Cc1cc(C(=O)NC[C@@H]2COCC[N@H+](C)C2)c2cccc(Cl)c2n1 ZINC000426361883 247267776 /nfs/dbraw/zinc/26/77/76/247267776.db2.gz CXQYBJTWDRUMOL-ZDUSSCGKSA-N 1 1 347.846 2.505 50 0 EFAAMO Cc1ccc2nc([C@@H](C)NC(=O)N3CC([NH+]4CCCCC4)C3)[nH]c2c1 ZINC000426370634 247268885 /nfs/dbraw/zinc/26/88/85/247268885.db2.gz SSZRNMPUVKUOFL-CQSZACIVSA-N 1 1 341.459 2.812 50 0 EFAAMO Cc1ccc2nc([C@H](C)NC(=O)N3CC([NH+]4CCCCC4)C3)[nH]c2c1 ZINC000426370633 247269916 /nfs/dbraw/zinc/26/99/16/247269916.db2.gz SSZRNMPUVKUOFL-AWEZNQCLSA-N 1 1 341.459 2.812 50 0 EFAAMO COc1cccc(C(=O)[C@H]2CCC[N@H+](C3CCN(C(C)=O)CC3)C2)c1 ZINC000012747322 211444345 /nfs/dbraw/zinc/44/43/45/211444345.db2.gz BZYCVBKFRXWVAW-KRWDZBQOSA-N 1 1 344.455 2.601 50 0 EFAAMO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)c(OC)c1 ZINC000012475830 211392543 /nfs/dbraw/zinc/39/25/43/211392543.db2.gz KCENNSCNUMLSAJ-HNNXBMFYSA-N 1 1 343.427 2.532 50 0 EFAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)c(OC)c1 ZINC000012475830 211392546 /nfs/dbraw/zinc/39/25/46/211392546.db2.gz KCENNSCNUMLSAJ-HNNXBMFYSA-N 1 1 343.427 2.532 50 0 EFAAMO CCn1cc(C[N@H+]2CCC[C@@H](CNC(=O)c3cccs3)C2)cn1 ZINC000012453575 211386769 /nfs/dbraw/zinc/38/67/69/211386769.db2.gz BQWAQPKHIOAEIW-AWEZNQCLSA-N 1 1 332.473 2.607 50 0 EFAAMO COCCN1CCC[C@]2(CC[N@@H+](Cc3ccccc3Cl)C2)C1=O ZINC000012443113 211384153 /nfs/dbraw/zinc/38/41/53/211384153.db2.gz WITOTSNCCXCZML-GOSISDBHSA-N 1 1 336.863 2.801 50 0 EFAAMO COc1ccc(OC)c(COC[C@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000012420188 211375198 /nfs/dbraw/zinc/37/51/98/211375198.db2.gz FACHZQKKZVGCFY-HLLBOEOZSA-N 1 1 337.460 2.559 50 0 EFAAMO COC(=O)CCCC(=O)N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012386639 211365267 /nfs/dbraw/zinc/36/52/67/211365267.db2.gz IXLWNTWTWWZXGV-SFHVURJKSA-N 1 1 346.471 2.543 50 0 EFAAMO COc1cccc(C[C@]2(CO)CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000012308104 211342773 /nfs/dbraw/zinc/34/27/73/211342773.db2.gz YITODVMWRVMZRP-HXUWFJFHSA-N 1 1 326.440 2.907 50 0 EFAAMO O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000012308266 211341295 /nfs/dbraw/zinc/34/12/95/211341295.db2.gz LTDXMMHCKOZATG-IBGZPJMESA-N 1 1 347.422 2.870 50 0 EFAAMO O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCC[N@H+]1Cc1cccnc1 ZINC000012308266 211341299 /nfs/dbraw/zinc/34/12/99/211341299.db2.gz LTDXMMHCKOZATG-IBGZPJMESA-N 1 1 347.422 2.870 50 0 EFAAMO COCCN1CCC[C@]2(CC[N@@H+](Cc3cc4ccccc4o3)C2)C1=O ZINC000012297944 211336808 /nfs/dbraw/zinc/33/68/08/211336808.db2.gz JAVCPXSBBOXIRK-HXUWFJFHSA-N 1 1 342.439 2.894 50 0 EFAAMO Cc1nn(C)cc1C[N@@H+]1CCC(=O)N(Cc2cccc(Cl)c2)CC1 ZINC000012162751 211309038 /nfs/dbraw/zinc/30/90/38/211309038.db2.gz 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ZINC000091452610 218009102 /nfs/dbraw/zinc/00/91/02/218009102.db2.gz OXOWLQBIMPWRCA-SFHVURJKSA-N 1 1 328.456 2.694 50 0 EFAAMO C[C@H]([NH2+]Cc1cc(=O)c2cccc(F)c2[nH]1)c1cn2ncsc2n1 ZINC000091461654 218009938 /nfs/dbraw/zinc/00/99/38/218009938.db2.gz VQCAFXVLSZDOIB-VIFPVBQESA-N 1 1 343.387 2.622 50 0 EFAAMO O=C(c1ccncc1)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000091493361 218014213 /nfs/dbraw/zinc/01/42/13/218014213.db2.gz KFKIXDHBCVFFMR-OXJNMPFZSA-N 1 1 347.462 2.785 50 0 EFAAMO O=C(/C=C/c1ccncc1)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000011821668 211251713 /nfs/dbraw/zinc/25/17/13/211251713.db2.gz JTDSVCFOQUOBTH-NDDJGDGRSA-N 1 1 335.451 2.918 50 0 EFAAMO CC(=O)N1CCc2nc[nH]c2C12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000091505725 218015310 /nfs/dbraw/zinc/01/53/10/218015310.db2.gz LJZQRRXZCAWZOZ-UHFFFAOYSA-N 1 1 344.484 2.676 50 0 EFAAMO COCC[N@@H+]1CC[C@@H](CNc2cc(C)nc(-c3ccccc3O)n2)C1 ZINC000091505158 218015373 /nfs/dbraw/zinc/01/53/73/218015373.db2.gz IRFJTCZHTFKXDH-HNNXBMFYSA-N 1 1 342.443 2.538 50 0 EFAAMO COCC[N@H+]1CC[C@@H](CNc2cc(C)nc(-c3ccccc3O)n2)C1 ZINC000091505158 218015374 /nfs/dbraw/zinc/01/53/74/218015374.db2.gz IRFJTCZHTFKXDH-HNNXBMFYSA-N 1 1 342.443 2.538 50 0 EFAAMO Cc1noc(C)c1CC(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000011879426 211262910 /nfs/dbraw/zinc/26/29/10/211262910.db2.gz YGCDXQDGDPXQOM-KRWDZBQOSA-N 1 1 333.476 2.995 50 0 EFAAMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](C2CCN(C)CC2)C1 ZINC000011874600 211262757 /nfs/dbraw/zinc/26/27/57/211262757.db2.gz RVGRPIVMHCXBFM-NRFANRHFSA-N 1 1 344.499 2.969 50 0 EFAAMO CCCn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c1C ZINC000091518622 218016714 /nfs/dbraw/zinc/01/67/14/218016714.db2.gz LTNXAYJKKWQVLL-ROUUACIJSA-N 1 1 338.455 2.700 50 0 EFAAMO CCCn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)c1C ZINC000091518622 218016717 /nfs/dbraw/zinc/01/67/17/218016717.db2.gz LTNXAYJKKWQVLL-ROUUACIJSA-N 1 1 338.455 2.700 50 0 EFAAMO CCC[C@@]1(CO)CCC[N@@H+](Cc2cccc(N3CCOCC3)c2)C1 ZINC000091526453 218018296 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CC[N@@H+](C)C[C@@H]1CN(Cc2ccc3cc(OC)ccc3c2)C[C@@H]1CO ZINC000091691330 218048110 /nfs/dbraw/zinc/04/81/10/218048110.db2.gz YQOJNPSWLVCAML-WOJBJXKFSA-N 1 1 342.483 2.840 50 0 EFAAMO CCn1nc(CC(C)C)cc1C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000091695787 218049883 /nfs/dbraw/zinc/04/98/83/218049883.db2.gz PGPHGHMAULMZFE-GOSISDBHSA-N 1 1 340.471 2.888 50 0 EFAAMO Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCCN(C2CCOCC2)C3=O)c1 ZINC000091713038 218052737 /nfs/dbraw/zinc/05/27/37/218052737.db2.gz RJNZPPJLCFSTHC-OAQYLSRUSA-N 1 1 342.483 2.989 50 0 EFAAMO Cc1ccc(N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)nn1 ZINC000091643726 218036675 /nfs/dbraw/zinc/03/66/75/218036675.db2.gz BPLFPALMNKLPAJ-UHFFFAOYSA-N 1 1 334.427 2.809 50 0 EFAAMO COCC[C@@]1(CO)CCC[N@H+](C2CCN(c3ccccc3)CC2)C1 ZINC000091644332 218037707 /nfs/dbraw/zinc/03/77/07/218037707.db2.gz JIVKIYIMHCRWKJ-FQEVSTJZSA-N 1 1 332.488 2.766 50 0 EFAAMO O=C(c1ccco1)N1CC[C@@]2(O)CC[N@@H+](C3CCCCC3)C[C@H]2C1 ZINC000091655829 218041471 /nfs/dbraw/zinc/04/14/71/218041471.db2.gz 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Cc1[nH]c2c(cccc2C[N@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)c1C ZINC000299759628 258076997 /nfs/dbraw/zinc/07/69/97/258076997.db2.gz NRACQJQOOKLUBX-ROUUACIJSA-N 1 1 337.427 2.722 50 0 EFAAMO Cc1nc([C@@H](C)NC(=O)c2cccc(C[NH+]3CCCCCC3)c2)n[nH]1 ZINC000299761604 258078451 /nfs/dbraw/zinc/07/84/51/258078451.db2.gz WUDUQWPMOJNPMT-CQSZACIVSA-N 1 1 341.459 2.980 50 0 EFAAMO CO[C@]12CC[N@@H+](Cc3c[nH]nc3C3CCCCC3)[C@H]1C[C@H](O)CC2 ZINC000299765974 258080988 /nfs/dbraw/zinc/08/09/88/258080988.db2.gz ACZCAQFQMAHWJH-ZIFCJYIRSA-N 1 1 333.476 2.962 50 0 EFAAMO CCCC(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000055195975 132194376 /nfs/dbraw/zinc/19/43/76/132194376.db2.gz ABYSDIPZDACBNP-INIZCTEOSA-N 1 1 333.451 2.739 50 0 EFAAMO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc1O ZINC000001250663 286364578 /nfs/dbraw/zinc/36/45/78/286364578.db2.gz GRTQBOXVWYRXQP-OAHLLOKOSA-N 1 1 345.424 2.879 50 0 EFAAMO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc1O ZINC000001250663 286364581 /nfs/dbraw/zinc/36/45/81/286364581.db2.gz GRTQBOXVWYRXQP-OAHLLOKOSA-N 1 1 345.424 2.879 50 0 EFAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=S)NC[C@@H]1CCCO1 ZINC000005050120 292355166 /nfs/dbraw/zinc/35/51/66/292355166.db2.gz WSCKMIBHIVCVOS-ZVZYQTTQSA-N 1 1 345.512 2.656 50 0 biogenic EFAAMO COCC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000096000153 544558915 /nfs/dbraw/zinc/55/89/15/544558915.db2.gz OTDMAYVQQBKCLX-HNNXBMFYSA-N 1 1 334.464 2.754 50 0 EFAAMO O=C(Cc1ccncc1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000272348539 266236456 /nfs/dbraw/zinc/23/64/56/266236456.db2.gz BUPZRPUSANMYNZ-UHFFFAOYSA-N 1 1 335.451 2.673 50 0 EFAAMO CCCn1ccnc1C[NH+]1CCC2(CC1)c1ccccc1N(C)C2=O ZINC000072171417 273624924 /nfs/dbraw/zinc/62/49/24/273624924.db2.gz GQYXRIHAJIOHGW-UHFFFAOYSA-N 1 1 338.455 2.803 50 0 EFAAMO COC[C@H](c1ccccn1)[N@H+](C)Cc1cc2c(cc1C)OCCO2 ZINC000216068108 274051579 /nfs/dbraw/zinc/05/15/79/274051579.db2.gz PSYSBAQLOSHMHB-QGZVFWFLSA-N 1 1 328.412 2.981 50 0 EFAAMO COC[C@H](c1ccccn1)[N@@H+](C)Cc1cc2c(cc1C)OCCO2 ZINC000216068108 274051580 /nfs/dbraw/zinc/05/15/80/274051580.db2.gz PSYSBAQLOSHMHB-QGZVFWFLSA-N 1 1 328.412 2.981 50 0 EFAAMO COc1cc(O)c2c(c1)C[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N@H+]1C ZINC000015122159 274097805 /nfs/dbraw/zinc/09/78/05/274097805.db2.gz SFOMHAXOBRLRFH-CYBMUJFWSA-N 1 1 325.364 2.882 50 0 biogenic EFAAMO COc1cc(O)c2c(c1)C[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N@@H+]1C ZINC000015122159 274097809 /nfs/dbraw/zinc/09/78/09/274097809.db2.gz SFOMHAXOBRLRFH-CYBMUJFWSA-N 1 1 325.364 2.882 50 0 biogenic EFAAMO COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CC[N@H+]1C ZINC000000135449 274102538 /nfs/dbraw/zinc/10/25/38/274102538.db2.gz LZJRNLRASBVRRX-ZDUSSCGKSA-N 1 1 327.380 2.867 50 0 endogenous,in-man EFAAMO COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CC[N@@H+]1C ZINC000000135449 274102540 /nfs/dbraw/zinc/10/25/40/274102540.db2.gz LZJRNLRASBVRRX-ZDUSSCGKSA-N 1 1 327.380 2.867 50 0 endogenous,in-man EFAAMO O=c1cc(CN2CCC[N@H+](C3CCCCC3)CC2)nc2ccccn12 ZINC000244678947 275043602 /nfs/dbraw/zinc/04/36/02/275043602.db2.gz IMWIDBFGMUUZDR-UHFFFAOYSA-N 1 1 340.471 2.535 50 0 EFAAMO CC(C)n1ccnc1C[NH+]1CCC2(CC1)c1ccccc1C[C@H]2O ZINC000072122492 275786428 /nfs/dbraw/zinc/78/64/28/275786428.db2.gz KYBSUDCJJGIUOZ-GOSISDBHSA-N 1 1 325.456 2.915 50 0 EFAAMO CCCN(Cc1nccn1C)C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000095377368 276003503 /nfs/dbraw/zinc/00/35/03/276003503.db2.gz VLYPUVHIMOBLJA-MRXNPFEDSA-N 1 1 340.471 2.606 50 0 EFAAMO CCCN(Cc1nccn1C)C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000095377368 276003504 /nfs/dbraw/zinc/00/35/04/276003504.db2.gz VLYPUVHIMOBLJA-MRXNPFEDSA-N 1 1 340.471 2.606 50 0 EFAAMO CCCn1ccnc1C[N@@H+]1CCC[C@@]2(C1)c1ccccc1N(C)C2=O ZINC000072153119 276059066 /nfs/dbraw/zinc/05/90/66/276059066.db2.gz CMVJRKBKNVUJGZ-HXUWFJFHSA-N 1 1 338.455 2.803 50 0 EFAAMO CCCn1ccnc1C[N@H+]1CCC[C@@]2(C1)c1ccccc1N(C)C2=O ZINC000072153119 276059068 /nfs/dbraw/zinc/05/90/68/276059068.db2.gz CMVJRKBKNVUJGZ-HXUWFJFHSA-N 1 1 338.455 2.803 50 0 EFAAMO CC[N@@H+](C)C[C@@H]1CN(Cc2ccccc2C(F)(F)F)C[C@@H]1CO ZINC000091645042 276073883 /nfs/dbraw/zinc/07/38/83/276073883.db2.gz XJMUSTQYKNOZCB-HUUCEWRRSA-N 1 1 330.394 2.697 50 0 EFAAMO C[N@H+]1CCCC2(CCN(C(=O)COc3ccc(F)cc3)CC2)CC1 ZINC000067833755 277042760 /nfs/dbraw/zinc/04/27/60/277042760.db2.gz YHITXBROHQNWCG-UHFFFAOYSA-N 1 1 334.435 2.929 50 0 EFAAMO CCSCCC(=O)NCc1cc2n(n1)CCC[N@@H+](CC(C)C)C2 ZINC000082156046 280035564 /nfs/dbraw/zinc/03/55/64/280035564.db2.gz KEEXVINTNMNFAS-UHFFFAOYSA-N 1 1 338.521 2.504 50 0 EFAAMO CN(C)[C@H](C(=O)N(C)CC[N@@H+](C)C1CCCC1)c1ccccc1F ZINC000095371924 289343622 /nfs/dbraw/zinc/34/36/22/289343622.db2.gz WTZWQSIARAMLFO-SFHVURJKSA-N 1 1 335.467 2.761 50 0 EFAAMO Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@H](c1cccc(F)c1)[NH+](C)C ZINC000223422051 302480089 /nfs/dbraw/zinc/48/00/89/302480089.db2.gz FWMJADBVGCOBNZ-SFHVURJKSA-N 1 1 346.450 2.860 50 0 EFAAMO Cc1nc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc2nncn21 ZINC000298904667 311033464 /nfs/dbraw/zinc/03/34/64/311033464.db2.gz OADQYIHSZRKJLT-HXUWFJFHSA-N 1 1 348.454 2.535 50 0 EFAAMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ncc3cc(Cl)ccn32)C1 ZINC000568777892 319318453 /nfs/dbraw/zinc/31/84/53/319318453.db2.gz KLCKUAOLOZNATJ-AWEZNQCLSA-N 1 1 346.862 2.792 50 0 EFAAMO Cc1ccc(NCCCNC(=O)N(C)C[C@@H](O)c2ccccc2)[nH+]c1 ZINC000534574437 448453876 /nfs/dbraw/zinc/45/38/76/448453876.db2.gz DDJCUSVYRAISLO-QGZVFWFLSA-N 1 1 342.443 2.567 50 0 EFAAMO C[C@H]1Cc2cc(C[N@H+]3CCCN(C(=O)C4CCC4)CC3)ccc2O1 ZINC000071315185 472549220 /nfs/dbraw/zinc/54/92/20/472549220.db2.gz QWXBJKXPLBWIKD-HNNXBMFYSA-N 1 1 328.456 2.844 50 0 EFAAMO Cc1ccnc(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)n1 ZINC000095505131 473215688 /nfs/dbraw/zinc/21/56/88/473215688.db2.gz GDWMWSPGNQCYHZ-KRWDZBQOSA-N 1 1 334.427 2.809 50 0 EFAAMO CCCc1nc(C)cc(N2CCC([N@H+]3CCC[C@@H](O)CC3)CC2)n1 ZINC000095505331 473215698 /nfs/dbraw/zinc/21/56/98/473215698.db2.gz BXVLPXIFPDLKJQ-QGZVFWFLSA-N 1 1 332.492 2.553 50 0 EFAAMO Cc1ccc(NCCCNC(=O)[C@@H](C)n2ccnc2C(C)C)[nH+]c1 ZINC000095496550 473213681 /nfs/dbraw/zinc/21/36/81/473213681.db2.gz BBGDBVXRGBHPPK-OAHLLOKOSA-N 1 1 329.448 2.889 50 0 EFAAMO Cc1ccc(NCCCNC(=O)[C@@H](C)n2cc[nH+]c2C(C)C)nc1 ZINC000095496550 473213685 /nfs/dbraw/zinc/21/36/85/473213685.db2.gz BBGDBVXRGBHPPK-OAHLLOKOSA-N 1 1 329.448 2.889 50 0 EFAAMO O=C(Cc1noc2ccccc21)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000095500140 473214344 /nfs/dbraw/zinc/21/43/44/473214344.db2.gz DLLYWKBLFWNFPM-HZPDHXFCSA-N 1 1 339.439 2.703 50 0 EFAAMO CC(C)n1ccnc1[C@@H]1CCC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000095500450 473214623 /nfs/dbraw/zinc/21/46/23/473214623.db2.gz OJAPWOTXXIVGGJ-GOSISDBHSA-N 1 1 340.471 2.960 50 0 EFAAMO CC(C)n1ccnc1[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000095500450 473214626 /nfs/dbraw/zinc/21/46/26/473214626.db2.gz OJAPWOTXXIVGGJ-GOSISDBHSA-N 1 1 340.471 2.960 50 0 EFAAMO CCC[N@H+]1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000095504031 473215772 /nfs/dbraw/zinc/21/57/72/473215772.db2.gz YMDJABCRMGJWIC-GOSISDBHSA-N 1 1 344.503 2.632 50 0 EFAAMO c1cnc(N2CCC([NH2+]Cc3nc(C4CCCCC4)no3)CC2)nc1 ZINC000095504838 473215820 /nfs/dbraw/zinc/21/58/20/473215820.db2.gz JFXYSINXIWNQNT-UHFFFAOYSA-N 1 1 342.447 2.666 50 0 EFAAMO CCC[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)C[C@H]1NC(C)=O ZINC000095507656 473216959 /nfs/dbraw/zinc/21/69/59/473216959.db2.gz GIJASSYSFSPCBV-IEBWSBKVSA-N 1 1 326.444 2.609 50 0 EFAAMO Cn1ccnc1CN1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000095516406 473217598 /nfs/dbraw/zinc/21/75/98/473217598.db2.gz XIIGRUGEKFJDET-VQTJNVASSA-N 1 1 338.499 2.949 50 0 EFAAMO COCCc1nc(CC[N@H+]2C[C@@H]3CC[C@H]2C3)n(Cc2ccccc2)n1 ZINC000095517879 473218164 /nfs/dbraw/zinc/21/81/64/473218164.db2.gz OFUZODFBTMGKKW-MSOLQXFVSA-N 1 1 340.471 2.542 50 0 EFAAMO O=C(C[N@H+]1CCC[C@@H](c2ccccc2)C1)N1CC(c2ccccn2)C1 ZINC000095515315 473218304 /nfs/dbraw/zinc/21/83/04/473218304.db2.gz UVYNIQOIGWLINF-GOSISDBHSA-N 1 1 335.451 2.887 50 0 EFAAMO O[C@H]1CN(c2nccc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000095521429 473218797 /nfs/dbraw/zinc/21/87/97/473218797.db2.gz FDCBXKCZFKBHHT-LJQANCHMSA-N 1 1 333.435 2.918 50 0 EFAAMO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCCCOC1CCCCC1 ZINC000095519372 473219188 /nfs/dbraw/zinc/21/91/88/473219188.db2.gz HMGJQDHKURMBGL-IBGZPJMESA-N 1 1 330.472 2.899 50 0 EFAAMO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCCCOC1CCCCC1 ZINC000095519372 473219193 /nfs/dbraw/zinc/21/91/93/473219193.db2.gz HMGJQDHKURMBGL-IBGZPJMESA-N 1 1 330.472 2.899 50 0 EFAAMO Cc1nn(C)c2nc(NC[C@@H]3Cc4ccccc4C[N@H+]3C)sc12 ZINC000095520593 473219273 /nfs/dbraw/zinc/21/92/73/473219273.db2.gz VLBBFDPSYFYKBW-AWEZNQCLSA-N 1 1 327.457 2.807 50 0 EFAAMO CCc1cc(CN(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccco3)C2)on1 ZINC000095518473 473219306 /nfs/dbraw/zinc/21/93/06/473219306.db2.gz UTVONZXVMIKIPZ-AWEZNQCLSA-N 1 1 331.416 2.701 50 0 EFAAMO CCc1nn(C)c(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)c1C ZINC000095526910 473221106 /nfs/dbraw/zinc/22/11/06/473221106.db2.gz SSWONSSMWMIQQB-UHFFFAOYSA-N 1 1 333.480 2.773 50 0 EFAAMO CN(C(=O)[C@H](c1cccnc1)[NH+]1CCCC1)C1Cc2ccccc2C1 ZINC000095529637 473221349 /nfs/dbraw/zinc/22/13/49/473221349.db2.gz MINROTBXHUHZOL-FQEVSTJZSA-N 1 1 335.451 2.844 50 0 EFAAMO Cc1ccnc(N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)n1 ZINC000095527072 473221353 /nfs/dbraw/zinc/22/13/53/473221353.db2.gz WAJPONSAQJPSMO-KRWDZBQOSA-N 1 1 334.427 2.809 50 0 EFAAMO COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCC[N@H+](C(C)C)C3)c2c1 ZINC000095527952 473221372 /nfs/dbraw/zinc/22/13/72/473221372.db2.gz YHDFMEMEAUUPNU-MRXNPFEDSA-N 1 1 343.471 2.956 50 0 EFAAMO Cc1cc(N2CCC([N@@H+](C)C[C@@H]3CCOC3)CC2)nc(C(C)C)n1 ZINC000095531471 473222337 /nfs/dbraw/zinc/22/23/37/473222337.db2.gz NQWJYTXTPRVPPM-INIZCTEOSA-N 1 1 332.492 2.846 50 0 EFAAMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(C(=O)Nc2cn(C)nn2)s1 ZINC000082039459 473285907 /nfs/dbraw/zinc/28/59/07/473285907.db2.gz ATTAZWWAEQJZQH-GFCCVEGCSA-N 1 1 333.461 2.922 50 0 EFAAMO OC[C@H]1CCCC[N@H+]1CCn1cc(-c2ccc3ccccc3c2)nn1 ZINC000082098540 473287067 /nfs/dbraw/zinc/28/70/67/473287067.db2.gz RJPFUKILMAIHCU-LJQANCHMSA-N 1 1 336.439 2.945 50 0 EFAAMO CCCc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)o1 ZINC000082097444 473287912 /nfs/dbraw/zinc/28/79/12/473287912.db2.gz JBNHFDFUKUTGAD-HXUWFJFHSA-N 1 1 348.487 2.819 50 0 EFAAMO c1cn(CC2CC2)c([C@H]2CCCN(c3nnnn3-c3ccccc3)C2)[nH+]1 ZINC000082106960 473288548 /nfs/dbraw/zinc/28/85/48/473288548.db2.gz JFCNXCQVVYAAEK-INIZCTEOSA-N 1 1 349.442 2.653 50 0 EFAAMO CC(C)(C)CC[N@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000082107212 473289370 /nfs/dbraw/zinc/28/93/70/473289370.db2.gz YTAYXBAKXXZZCB-UHFFFAOYSA-N 1 1 332.492 2.941 50 0 EFAAMO CCn1c(C[NH+]2CCCC2)nnc1C1CCN(c2nccs2)CC1 ZINC000082109562 473291479 /nfs/dbraw/zinc/29/14/79/473291479.db2.gz JBHSVGDHKZRQQL-UHFFFAOYSA-N 1 1 346.504 2.734 50 0 EFAAMO Cc1ccc(NC(=O)NCc2cc3n(n2)CC[N@H+](CC(C)C)C3)cc1 ZINC000082120840 473292909 /nfs/dbraw/zinc/29/29/09/473292909.db2.gz NJSDCELZVSDNTD-UHFFFAOYSA-N 1 1 341.459 2.985 50 0 EFAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(-c2ccco2)n[nH]1 ZINC000096125606 473308377 /nfs/dbraw/zinc/30/83/77/473308377.db2.gz YSVKCYCPZSDEBP-CZUORRHYSA-N 1 1 328.416 2.664 50 0 EFAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)Nc2ccc3ncn(C)c3c2)C1 ZINC000096133760 473310244 /nfs/dbraw/zinc/31/02/44/473310244.db2.gz REWXVQDWBLSDBJ-CYBMUJFWSA-N 1 1 327.432 2.664 50 0 EFAAMO Cc1cc(C)c(NC(=O)NCC[N@H+]2CCCC[C@@H]2CO)c(Cl)c1 ZINC000096133769 473311387 /nfs/dbraw/zinc/31/13/87/473311387.db2.gz OUJDVGNJYWDMCY-CQSZACIVSA-N 1 1 339.867 2.925 50 0 EFAAMO CC(C)n1cc(NC(=O)N2CCC[N@@H+](Cc3cccs3)CC2)nn1 ZINC000096149391 473314856 /nfs/dbraw/zinc/31/48/56/473314856.db2.gz BYEOISWNQLKMLD-UHFFFAOYSA-N 1 1 348.476 2.660 50 0 EFAAMO CCc1[nH+]ccn1CCCNC(=O)Nc1cccc2nnc(C)cc21 ZINC000096149680 473314937 /nfs/dbraw/zinc/31/49/37/473314937.db2.gz BAWHFMHMQQBTMX-UHFFFAOYSA-N 1 1 338.415 2.909 50 0 EFAAMO COc1ccc(-c2ccc([C@@H](O)C[NH+]3CCOCC3)cc2)cc1F ZINC000096162497 473321942 /nfs/dbraw/zinc/32/19/42/473321942.db2.gz TTZHLOCNXKQRTR-SFHVURJKSA-N 1 1 331.387 2.867 50 0 EFAAMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)CN1CCCCC1 ZINC000000034477 471319025 /nfs/dbraw/zinc/31/90/25/471319025.db2.gz WZCDPAZKCMKDCJ-IEBWSBKVSA-N 1 1 327.472 2.615 50 0 EFAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CN1CCCCC1 ZINC000000034477 471319029 /nfs/dbraw/zinc/31/90/29/471319029.db2.gz WZCDPAZKCMKDCJ-IEBWSBKVSA-N 1 1 327.472 2.615 50 0 EFAAMO COc1cc2c(cc1O)C[C@@H]1c3c(cc(O)c(OC)c3-2)CC[N@H+]1C ZINC000000135453 471326865 /nfs/dbraw/zinc/32/68/65/471326865.db2.gz LZJRNLRASBVRRX-CYBMUJFWSA-N 1 1 327.380 2.867 50 0 endogenous,in-man EFAAMO COc1cc2c(cc1O)C[C@@H]1c3c(cc(O)c(OC)c3-2)CC[N@@H+]1C ZINC000000135453 471326869 /nfs/dbraw/zinc/32/68/69/471326869.db2.gz LZJRNLRASBVRRX-CYBMUJFWSA-N 1 1 327.380 2.867 50 0 endogenous,in-man EFAAMO CCOC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000000176502 471331869 /nfs/dbraw/zinc/33/18/69/471331869.db2.gz MJJOGCTVOKSCPH-ZDUSSCGKSA-N 1 1 338.835 2.944 50 0 EFAAMO CCCN1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)CC1 ZINC000000212638 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CC1CCN(c2ccc(C(=O)NCC[C@@H]3CCCC[N@H+]3C)cn2)CC1 ZINC000012754115 471794214 /nfs/dbraw/zinc/79/42/14/471794214.db2.gz AOLKGGJJXNLFON-SFHVURJKSA-N 1 1 344.503 2.922 50 0 EFAAMO O=C(N[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1cc(C2CC2)on1 ZINC000012836251 471800428 /nfs/dbraw/zinc/80/04/28/471800428.db2.gz QDVFAUQXUGXUCE-KRWDZBQOSA-N 1 1 339.439 2.989 50 0 EFAAMO Cc1ocnc1C(=O)N[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012836911 471800441 /nfs/dbraw/zinc/80/04/41/471800441.db2.gz IIQHJUWWWUTVBC-QGZVFWFLSA-N 1 1 327.428 2.810 50 0 EFAAMO O=C1OCC[C@@H]2[C@H]1[C@@H]1CCC[N@H+]1C21CCN(Cc2ccccc2)CC1 ZINC000014944192 471882471 /nfs/dbraw/zinc/88/24/71/471882471.db2.gz QTWXGPYSKRWGJN-QYZOEREBSA-N 1 1 340.467 2.679 50 0 EFAAMO CCN(CC)C(=O)c1cn([C@H]2CCC[N@@H+](Cc3cccs3)C2)nn1 ZINC000015066644 471887810 /nfs/dbraw/zinc/88/78/10/471887810.db2.gz OMUXDFIEEMOVLP-AWEZNQCLSA-N 1 1 347.488 2.659 50 0 EFAAMO C[N@@H+](C[C@@]1(O)CCCN(CCc2ccccc2)C1=O)C1CCCCC1 ZINC000015066790 471888074 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Cc1cc(Cl)c(OCCOCC[NH+]2CCN(C)CC2)c(Cl)c1 ZINC000022171348 472010855 /nfs/dbraw/zinc/01/08/55/472010855.db2.gz OXQKTTLCYBEBSF-UHFFFAOYSA-N 1 1 347.286 2.945 50 0 EFAAMO Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3ncccn3)CC2)cc1C ZINC000067603624 472058026 /nfs/dbraw/zinc/05/80/26/472058026.db2.gz WCMALPDIXDQUFE-UHFFFAOYSA-N 1 1 348.454 2.806 50 0 EFAAMO Cc1cncc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3F)C2)c1 ZINC000067642935 472064269 /nfs/dbraw/zinc/06/42/69/472064269.db2.gz FPPNVXITJQFVAJ-OAHLLOKOSA-N 1 1 327.403 2.781 50 0 EFAAMO COCc1ccc(C(=O)N2CCN(c3[nH+]cccc3C)CC2)s1 ZINC000067674735 472069864 /nfs/dbraw/zinc/06/98/64/472069864.db2.gz ZICTZMFOQVJSBW-UHFFFAOYSA-N 1 1 331.441 2.560 50 0 EFAAMO CC[NH+]1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000024936392 472073854 /nfs/dbraw/zinc/07/38/54/472073854.db2.gz OMRMLYXXFRJZKD-QGZVFWFLSA-N 1 1 337.467 2.793 50 0 EFAAMO CC[C@@H](C[NH2+]C1CCN(c2ccccc2C)CC1)N1CCN(C)CC1 ZINC000067866789 472100723 /nfs/dbraw/zinc/10/07/23/472100723.db2.gz 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O=C([C@@H]1CCCO1)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000069520923 472362616 /nfs/dbraw/zinc/36/26/16/472362616.db2.gz PEQFSIVACLVVNV-QYZOEREBSA-N 1 1 328.456 2.821 50 0 EFAAMO Cc1c(C(=O)C[NH+]2CCC3(CC2)OCCO3)c2ccccc2n1C ZINC000057050698 472378408 /nfs/dbraw/zinc/37/84/08/472378408.db2.gz KAPKZMRWULJYMZ-UHFFFAOYSA-N 1 1 328.412 2.508 50 0 EFAAMO CCCCSc1ncc(C[NH+]2CCC(c3nnc[nH]3)CC2)cn1 ZINC000097117608 472457333 /nfs/dbraw/zinc/45/73/33/472457333.db2.gz BEDLSIMYJIKZPY-UHFFFAOYSA-N 1 1 332.477 2.867 50 0 EFAAMO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000097172864 472471649 /nfs/dbraw/zinc/47/16/49/472471649.db2.gz GDUGGKTXGCABFW-OAHLLOKOSA-N 1 1 348.472 2.922 50 0 EFAAMO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000097172864 472471665 /nfs/dbraw/zinc/47/16/65/472471665.db2.gz GDUGGKTXGCABFW-OAHLLOKOSA-N 1 1 348.472 2.922 50 0 EFAAMO Cc1ccnc(NC[C@@H]2CC[N@H+](CC(=O)N3CCCCCC3)C2)c1 ZINC000097200685 472477060 /nfs/dbraw/zinc/47/70/60/472477060.db2.gz NXEQFEGQGPAIIH-KRWDZBQOSA-N 1 1 330.476 2.526 50 0 EFAAMO Cc1ccnc(NC[C@@H]2CC[N@@H+](CC(=O)N3CCCCCC3)C2)c1 ZINC000097200685 472477066 /nfs/dbraw/zinc/47/70/66/472477066.db2.gz NXEQFEGQGPAIIH-KRWDZBQOSA-N 1 1 330.476 2.526 50 0 EFAAMO COc1ccc(C)cc1[C@@H](O)C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200708 472477480 /nfs/dbraw/zinc/47/74/80/472477480.db2.gz URJFYLVZTGSTDM-AEFFLSMTSA-N 1 1 341.455 2.866 50 0 EFAAMO Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N3CCCCCC3)C2)n1 ZINC000097200854 472478064 /nfs/dbraw/zinc/47/80/64/472478064.db2.gz WEKSRHUGIRJBSV-QGZVFWFLSA-N 1 1 330.476 2.526 50 0 EFAAMO Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N3CCCCCC3)C2)n1 ZINC000097200854 472478072 /nfs/dbraw/zinc/47/80/72/472478072.db2.gz WEKSRHUGIRJBSV-QGZVFWFLSA-N 1 1 330.476 2.526 50 0 EFAAMO CCc1nc(C)c(C(=O)N2CC[NH+](C3CCSCC3)CC2)s1 ZINC000097217585 472482942 /nfs/dbraw/zinc/48/29/42/472482942.db2.gz RIKQJBZVGNLMBP-UHFFFAOYSA-N 1 1 339.530 2.667 50 0 EFAAMO C/C=C/C[N@H+]1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077298785 472496363 /nfs/dbraw/zinc/49/63/63/472496363.db2.gz XWNTYTUGSDKLSV-GNAXCBTBSA-N 1 1 328.460 2.566 50 0 EFAAMO CCc1nc2c(ncnc2N2CC[NH+](Cc3cccc(F)c3)CC2)o1 ZINC000077301816 472496532 /nfs/dbraw/zinc/49/65/32/472496532.db2.gz WVTLCTNRIIRQRF-UHFFFAOYSA-N 1 1 341.390 2.642 50 0 EFAAMO CC[N@H+]1CCCC[C@@H]1C(=O)NCCCN1CCCc2ccccc21 ZINC000097553419 472499648 /nfs/dbraw/zinc/49/96/48/472499648.db2.gz DILRHAGTBCJDSS-LJQANCHMSA-N 1 1 329.488 2.820 50 0 EFAAMO CC[N@H+]1CCCC[C@H]1C(=O)NCCCN1CCCc2ccccc21 ZINC000097553420 472499930 /nfs/dbraw/zinc/49/99/30/472499930.db2.gz DILRHAGTBCJDSS-IBGZPJMESA-N 1 1 329.488 2.820 50 0 EFAAMO CC(C)[N@H+]1CCO[C@H](CC(=O)NCc2ccccc2C(F)(F)F)C1 ZINC000097546627 472500233 /nfs/dbraw/zinc/50/02/33/472500233.db2.gz OUEKCHKKEBEQPP-CQSZACIVSA-N 1 1 344.377 2.821 50 0 EFAAMO Cc1ncnc(N2CC[NH+](Cc3nc4ccccc4nc3C)CC2)c1C ZINC000097619090 472502642 /nfs/dbraw/zinc/50/26/42/472502642.db2.gz BEPWFMXXXCRHRV-UHFFFAOYSA-N 1 1 348.454 2.667 50 0 EFAAMO Cc1nccn1CC[C@@H]1CCCC[N@H+]1Cc1[nH]cc(C)c(=O)c1C ZINC000077337413 472506579 /nfs/dbraw/zinc/50/65/79/472506579.db2.gz TUKRKBYBFRUHMR-KRWDZBQOSA-N 1 1 328.460 2.941 50 0 EFAAMO Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)[C@H]3CC[NH2+]C3)CC2)c1 ZINC000077342943 472507093 /nfs/dbraw/zinc/50/70/93/472507093.db2.gz WQRICAIZHCQOQM-KRWDZBQOSA-N 1 1 338.455 2.701 50 0 EFAAMO COc1nc(C)c(C(=O)N2CCC[N@H+](C3CCCCC3)CC2)s1 ZINC000077378375 472515456 /nfs/dbraw/zinc/51/54/56/472515456.db2.gz ICFAJFDVBRKGQB-UHFFFAOYSA-N 1 1 337.489 2.941 50 0 EFAAMO Cn1ccnc1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000077389089 472518809 /nfs/dbraw/zinc/51/88/09/472518809.db2.gz AUMBZQRGMAGJEO-QGZVFWFLSA-N 1 1 349.438 2.701 50 0 EFAAMO O=C1CC[C@@]2(CCC[N@@H+](Cc3cccc(Cl)c3)C2)CN1CCO ZINC000077438814 472527136 /nfs/dbraw/zinc/52/71/36/472527136.db2.gz YCCKORRBRLTUCL-GOSISDBHSA-N 1 1 336.863 2.537 50 0 EFAAMO O[C@@]1(C[NH+]2CCCCC2)CCN(Cc2cnc(CC3CCCC3)[nH]2)C1 ZINC000077505043 472541086 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333.823 2.665 50 0 EFAAMO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)CC1(CO)CCCC1 ZINC000240662470 474552022 /nfs/dbraw/zinc/55/20/22/474552022.db2.gz PLKKIZARAVFKPO-KRWDZBQOSA-N 1 1 334.460 2.897 50 0 EFAAMO C[C@H](Cc1cnccn1)[N@@H+](C)CCC(=O)Nc1ccc(F)cc1F ZINC000244724461 474564602 /nfs/dbraw/zinc/56/46/02/474564602.db2.gz MUNXAWZOKIZKCZ-GFCCVEGCSA-N 1 1 334.370 2.646 50 0 EFAAMO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)CCn1nc(C)cc1C ZINC000244899604 474568128 /nfs/dbraw/zinc/56/81/28/474568128.db2.gz ZMSGPARVSIGOKN-SFHVURJKSA-N 1 1 344.459 2.858 50 0 EFAAMO Cc1nc2c(c(C)n1)C[C@@H](C[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1)O2 ZINC000252482360 474667122 /nfs/dbraw/zinc/66/71/22/474667122.db2.gz DDTLQVMRRUTVIU-AWEZNQCLSA-N 1 1 329.448 2.550 50 0 EFAAMO Cc1nc2c(c(C)n1)C[C@@H](C[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1)O2 ZINC000252482360 474667136 /nfs/dbraw/zinc/66/71/36/474667136.db2.gz DDTLQVMRRUTVIU-AWEZNQCLSA-N 1 1 329.448 2.550 50 0 EFAAMO Cc1ccc(-c2noc(CNC(=O)CC[N@H+]3C[C@@H]4CC[C@H]3C4)n2)cc1 ZINC000252482864 474668883 /nfs/dbraw/zinc/66/88/83/474668883.db2.gz DPIYMUMSGZJXGK-ZBFHGGJFSA-N 1 1 340.427 2.536 50 0 EFAAMO COc1cc([C@H](C)NCc2n[nH]c(C(C)(C)C)n2)cc(OC)c1OC ZINC000292840420 474669258 /nfs/dbraw/zinc/66/92/58/474669258.db2.gz FFIOLMPOPSZPQO-NSHDSACASA-N 1 1 348.447 2.979 50 0 EFAAMO COc1cc([C@@H](C)NCc2n[nH]c(C(C)(C)C)n2)cc(OC)c1OC ZINC000292840402 474670386 /nfs/dbraw/zinc/67/03/86/474670386.db2.gz FFIOLMPOPSZPQO-LLVKDONJSA-N 1 1 348.447 2.979 50 0 EFAAMO Cc1ccc(C[N@H+](C)CC(=O)N[C@H](c2nccn2C)C(C)C)cc1 ZINC000252496822 474680106 /nfs/dbraw/zinc/68/01/06/474680106.db2.gz PSKHULBMMGZWHA-SFHVURJKSA-N 1 1 328.460 2.674 50 0 EFAAMO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nccn3C)C2)cc1F ZINC000252501536 474684121 /nfs/dbraw/zinc/68/41/21/474684121.db2.gz UHCNQKLUDKKKFF-CQSZACIVSA-N 1 1 330.407 2.686 50 0 EFAAMO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nccn3C)C2)cc1F ZINC000252501536 474684130 /nfs/dbraw/zinc/68/41/30/474684130.db2.gz UHCNQKLUDKKKFF-CQSZACIVSA-N 1 1 330.407 2.686 50 0 EFAAMO C[N@@H+](CC(=O)Nc1ccc(Cl)cn1)C[C@@H]1Cc2ccccc2O1 ZINC000252507765 474685963 /nfs/dbraw/zinc/68/59/63/474685963.db2.gz WTPGAKKLCDWLCF-AWEZNQCLSA-N 1 1 331.803 2.609 50 0 EFAAMO C[N@H+](CC(=O)Nc1ccc(Cl)cn1)C[C@@H]1Cc2ccccc2O1 ZINC000252507765 474685971 /nfs/dbraw/zinc/68/59/71/474685971.db2.gz WTPGAKKLCDWLCF-AWEZNQCLSA-N 1 1 331.803 2.609 50 0 EFAAMO CCn1nc(C)c(NC(=O)C[N@@H+](C)C2Cc3ccccc3C2)c1C ZINC000252508706 474687035 /nfs/dbraw/zinc/68/70/35/474687035.db2.gz XRFFNWDVLJNFGD-UHFFFAOYSA-N 1 1 326.444 2.558 50 0 EFAAMO CC(C)c1nnsc1CN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000252508485 474687209 /nfs/dbraw/zinc/68/72/09/474687209.db2.gz XOANZQZGSBPZBX-UHFFFAOYSA-N 1 1 342.512 2.947 50 0 EFAAMO Cc1n[nH]c(C)c1CC[N@@H+](C)CCC(=O)Nc1cc(F)ccc1F ZINC000252508467 474687862 /nfs/dbraw/zinc/68/78/62/474687862.db2.gz XNSYTMOKSCFEQX-UHFFFAOYSA-N 1 1 336.386 2.808 50 0 EFAAMO Cc1cc(NC(=O)C[N@@H+](C)[C@@H](C)Cc2cnccn2)ccc1Cl ZINC000252509873 474687955 /nfs/dbraw/zinc/68/79/55/474687955.db2.gz YXGSESOQCHTIDP-ZDUSSCGKSA-N 1 1 332.835 2.940 50 0 EFAAMO Cc1cc(NC(=O)C[N@H+](C)[C@@H](C)Cc2cnccn2)ccc1Cl ZINC000252509873 474687963 /nfs/dbraw/zinc/68/79/63/474687963.db2.gz YXGSESOQCHTIDP-ZDUSSCGKSA-N 1 1 332.835 2.940 50 0 EFAAMO COc1ccc(CC(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000253408329 474741505 /nfs/dbraw/zinc/74/15/05/474741505.db2.gz KQAXLJWXKSXUCN-PKOBYXMFSA-N 1 1 330.472 2.961 50 0 biogenic EFAAMO C[N@H+]1CCCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000355584999 476041507 /nfs/dbraw/zinc/04/15/07/476041507.db2.gz YXYIMTZESXAZGY-UHFFFAOYSA-N 1 1 348.447 2.525 50 0 EFAAMO COc1ccc(CC(=O)N(C)C[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000299754413 476151298 /nfs/dbraw/zinc/15/12/98/476151298.db2.gz KQAXLJWXKSXUCN-IEBWSBKVSA-N 1 1 330.472 2.961 50 0 biogenic EFAAMO CO[C@]12CC[N@@H+](Cc3cc(F)ccc3-n3cccn3)[C@H]1C[C@H](O)CC2 ZINC000299769679 476153731 /nfs/dbraw/zinc/15/37/31/476153731.db2.gz RDLLFVKCHBXOQA-NZSAHSFTSA-N 1 1 345.418 2.516 50 0 EFAAMO Cc1ccccc1-c1noc(CNC(=O)CC[N@H+]2C[C@@H]3CC[C@H]2C3)n1 ZINC000299774689 476154562 /nfs/dbraw/zinc/15/45/62/476154562.db2.gz FVAAGIRPXBVDMS-CABCVRRESA-N 1 1 340.427 2.536 50 0 EFAAMO CCc1ccccc1N1CCN(C(=O)NCC[C@@H]2CCC[N@H+]2C)CC1 ZINC000426531564 477716061 /nfs/dbraw/zinc/71/60/61/477716061.db2.gz IKZTWCNZKUJZLK-SFHVURJKSA-N 1 1 344.503 2.565 50 0 EFAAMO c1csc(C[N@H+]2CCCN(c3cc([C@@H]4CCOC4)ncn3)CC2)c1 ZINC000426533916 477717773 /nfs/dbraw/zinc/71/77/73/477717773.db2.gz XTRYFKIBWMRNHJ-OAHLLOKOSA-N 1 1 344.484 2.754 50 0 EFAAMO Cc1cc(F)ccc1-c1cccc(C(=O)N[C@@H]2C[C@@H](CO)[N@@H+](C)C2)c1 ZINC000426711975 477741567 /nfs/dbraw/zinc/74/15/67/477741567.db2.gz CPISTINZVWELBC-MSOLQXFVSA-N 1 1 342.414 2.596 50 0 EFAAMO COc1cccc(-c2ccc([C@H](O)C[NH+]3CCOCC3)cc2)c1OC ZINC000534592658 478162586 /nfs/dbraw/zinc/16/25/86/478162586.db2.gz RKEVDPNMCVKPAN-GOSISDBHSA-N 1 1 343.423 2.736 50 0 EFAAMO CC[N@@H+](C)C(C)(C)CNC(=O)N(C)Cc1nc2cc(F)ccc2[nH]1 ZINC000534639217 478164848 /nfs/dbraw/zinc/16/48/48/478164848.db2.gz ZYPUVUIUIJERQN-UHFFFAOYSA-N 1 1 335.427 2.574 50 0 EFAAMO CC[N@H+](C)C(C)(C)CNC(=O)N(C)Cc1nc2ccc(F)cc2[nH]1 ZINC000534639217 478164854 /nfs/dbraw/zinc/16/48/54/478164854.db2.gz ZYPUVUIUIJERQN-UHFFFAOYSA-N 1 1 335.427 2.574 50 0 EFAAMO CC[N@@H+](C)C(C)(C)CNC(=O)N(C)Cc1nc2ccc(F)cc2[nH]1 ZINC000534639217 478164857 /nfs/dbraw/zinc/16/48/57/478164857.db2.gz ZYPUVUIUIJERQN-UHFFFAOYSA-N 1 1 335.427 2.574 50 0 EFAAMO Cc1c(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3F)C2)ccn1C ZINC000534664708 478168541 /nfs/dbraw/zinc/16/85/41/478168541.db2.gz UILLJPGOZZUFID-INIZCTEOSA-N 1 1 329.419 2.867 50 0 EFAAMO Cc1c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)ccn1C ZINC000534664708 478168546 /nfs/dbraw/zinc/16/85/46/478168546.db2.gz UILLJPGOZZUFID-INIZCTEOSA-N 1 1 329.419 2.867 50 0 EFAAMO Cc1nc(-c2cccc(NC(=O)[C@H](Cc3ccccc3)[NH+](C)C)c2)n[nH]1 ZINC000592850520 479072186 /nfs/dbraw/zinc/07/21/86/479072186.db2.gz UEQJHKUSCZDUFR-SFHVURJKSA-N 1 1 349.438 2.892 50 0 EFAAMO C[C@@H](CN1CCN(C)CC1)[NH2+]CCc1nc(-c2ccccc2)cs1 ZINC000584885747 479270690 /nfs/dbraw/zinc/27/06/90/479270690.db2.gz KFPILLUOIJUVFR-INIZCTEOSA-N 1 1 344.528 2.578 50 0 EFAAMO C[C@@H](CNC(=O)N(C)Cc1nc2ccc(F)cc2[nH]1)[NH+]1CCCCC1 ZINC000584886395 479270859 /nfs/dbraw/zinc/27/08/59/479270859.db2.gz VAWASKRVITZLSA-ZDUSSCGKSA-N 1 1 347.438 2.718 50 0 EFAAMO CCCn1ncnc1-c1cccc(C(=O)NC[C@@H]2CCC[N@H+]2CC)c1 ZINC000584894304 479274303 /nfs/dbraw/zinc/27/43/03/479274303.db2.gz RQBKOPZOMHWCHH-KRWDZBQOSA-N 1 1 341.459 2.569 50 0 EFAAMO CCCCCc1nnc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)s1 ZINC000236694504 535146074 /nfs/dbraw/zinc/14/60/74/535146074.db2.gz SRYWNPDHCYEZFM-CQSZACIVSA-N 1 1 330.457 2.924 50 0 EFAAMO CCn1cc(C[N@@H+](C)Cc2ccc(OC)c(Cn3cccn3)c2)cn1 ZINC000216179037 536045656 /nfs/dbraw/zinc/04/56/56/536045656.db2.gz GSPZAORXPXIGPT-UHFFFAOYSA-N 1 1 339.443 2.788 50 0 EFAAMO CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000215655811 536315212 /nfs/dbraw/zinc/31/52/12/536315212.db2.gz RPBPMMAYFZXJDF-GOSISDBHSA-N 1 1 344.480 2.974 50 0 EFAAMO Cn1c2ccccc2cc(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)c1=O ZINC000244828635 536460904 /nfs/dbraw/zinc/46/09/04/536460904.db2.gz TZWDZUDEPJDXIU-GOSISDBHSA-N 1 1 334.419 2.974 50 0 EFAAMO COc1cc(C)c(CN2CCN(CCC[NH+](C)C)CC2)c(C)c1C ZINC000215825447 536570376 /nfs/dbraw/zinc/57/03/76/536570376.db2.gz QGQHXQDBBLFJAS-UHFFFAOYSA-N 1 1 333.520 2.690 50 0 EFAAMO COc1ccccc1C1CC[NH+](CC(=O)Nc2cnn(C)c2C)CC1 ZINC000244873029 537016149 /nfs/dbraw/zinc/01/61/49/537016149.db2.gz WIYNTKSQXOFELK-UHFFFAOYSA-N 1 1 342.443 2.555 50 0 EFAAMO COc1ccc(CN2CCC[N@@H+](C)C[C@H]2C)cc1C[NH+]1CCCC1 ZINC000216281199 545559380 /nfs/dbraw/zinc/55/93/80/545559380.db2.gz WJZTVUNWRSNRMV-QGZVFWFLSA-N 1 1 331.504 2.817 50 0 EFAAMO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cccc2c1CCC2=O ZINC000670437002 547489241 /nfs/dbraw/zinc/48/92/41/547489241.db2.gz BLQQLOBUWSTJGZ-HNNXBMFYSA-N 1 1 348.446 2.992 50 0 EFAAMO C[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cccc2c1CCC2=O ZINC000670437002 547489242 /nfs/dbraw/zinc/48/92/42/547489242.db2.gz BLQQLOBUWSTJGZ-HNNXBMFYSA-N 1 1 348.446 2.992 50 0 EFAAMO Cc1cccc(SC2CC[NH+](CC(=O)NC[C@@H]3CCCO3)CC2)c1 ZINC000670444282 547490026 /nfs/dbraw/zinc/49/00/26/547490026.db2.gz UFUSLQJJNUVWKT-INIZCTEOSA-N 1 1 348.512 2.847 50 0 EFAAMO CC(C)c1[nH+]ccn1CCCNC(=O)Cn1ncc2ccccc21 ZINC000670442148 547490358 /nfs/dbraw/zinc/49/03/58/547490358.db2.gz OJHMDJCXSMYLLI-UHFFFAOYSA-N 1 1 325.416 2.563 50 0 EFAAMO Cc1c(C(=O)NCC[N@H+]2CC[C@@H](c3ccccc3C)C2)ccn1C ZINC000670444649 547490604 /nfs/dbraw/zinc/49/06/04/547490604.db2.gz VPZAKNOBAFUXJG-QGZVFWFLSA-N 1 1 325.456 2.861 50 0 EFAAMO O=C1CC[C@H](C[N@H+]2CCCN(c3nc4ccccc4s3)CC2)O1 ZINC000670447817 547491988 /nfs/dbraw/zinc/49/19/88/547491988.db2.gz ANTZOPZDFHMTIX-CYBMUJFWSA-N 1 1 331.441 2.514 50 0 EFAAMO Cc1ccc(-c2ccc(C(=O)NCC[N@H+]3CCC[C@@H](CO)C3)cc2)o1 ZINC000670456684 547493070 /nfs/dbraw/zinc/49/30/70/547493070.db2.gz BERLOAASJATOII-MRXNPFEDSA-N 1 1 342.439 2.689 50 0 EFAAMO 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50 0 EFAAMO C[C@H](C(=O)NCc1cccs1)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000222198061 201033018 /nfs/dbraw/zinc/03/30/18/201033018.db2.gz XTAACWJUSHVDJG-CABCVRRESA-N 1 1 344.484 2.582 50 0 EFAAMO Cc1ncc(CN2CC[N@H+](Cc3ccc(C)cc3)[C@H](CCO)C2)s1 ZINC000036385836 201079547 /nfs/dbraw/zinc/07/95/47/201079547.db2.gz SWDGKINHJJAOSU-GOSISDBHSA-N 1 1 345.512 2.829 50 0 EFAAMO Cc1ncc(CN2CC[N@@H+](Cc3ccc(C)cc3)[C@H](CCO)C2)s1 ZINC000036385836 201079550 /nfs/dbraw/zinc/07/95/50/201079550.db2.gz SWDGKINHJJAOSU-GOSISDBHSA-N 1 1 345.512 2.829 50 0 EFAAMO O=C(CC[NH+]1CCC(c2ccn[nH]2)CC1)NCc1ccccc1Cl ZINC000058218591 201142191 /nfs/dbraw/zinc/14/21/91/201142191.db2.gz AJXJEEVPFRHQRW-UHFFFAOYSA-N 1 1 346.862 2.949 50 0 EFAAMO Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](CNc3ccccn3)C2)s1 ZINC000065457886 201153965 /nfs/dbraw/zinc/15/39/65/201153965.db2.gz MXKXAUWFJAJSJO-OAHLLOKOSA-N 1 1 344.484 2.502 50 0 EFAAMO Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](CNc3ccccn3)C2)s1 ZINC000065457886 201153969 /nfs/dbraw/zinc/15/39/69/201153969.db2.gz MXKXAUWFJAJSJO-OAHLLOKOSA-N 1 1 344.484 2.502 50 0 EFAAMO CC[N@@H+]1CCc2ncnc(N(C)Cc3cc(-c4ccco4)on3)c2C1 ZINC000065513595 201155404 /nfs/dbraw/zinc/15/54/04/201155404.db2.gz BKQONZRLHQYWFV-UHFFFAOYSA-N 1 1 339.399 2.739 50 0 EFAAMO CC[N@H+]1CCc2ncnc(N(C)Cc3cc(-c4ccco4)on3)c2C1 ZINC000065513595 201155405 /nfs/dbraw/zinc/15/54/05/201155405.db2.gz BKQONZRLHQYWFV-UHFFFAOYSA-N 1 1 339.399 2.739 50 0 EFAAMO Cc1ccc(NC[C@@H]2CCN([C@@H](C)C(=O)Nc3nccs3)C2)[nH+]c1 ZINC000065502619 201155976 /nfs/dbraw/zinc/15/59/76/201155976.db2.gz NQDMLTKVSSMFJP-KBPBESRZSA-N 1 1 345.472 2.608 50 0 EFAAMO Cc1ccc(NC[C@H]2CC[N@H+](Cc3nc(-c4ccco4)no3)C2)nc1 ZINC000097200824 201381899 /nfs/dbraw/zinc/38/18/99/201381899.db2.gz RTIUKNPYSFGOBG-CQSZACIVSA-N 1 1 339.399 2.967 50 0 EFAAMO Cc1ccc(NC[C@H]2CC[N@@H+](Cc3nc(-c4ccco4)no3)C2)nc1 ZINC000097200824 201381904 /nfs/dbraw/zinc/38/19/04/201381904.db2.gz RTIUKNPYSFGOBG-CQSZACIVSA-N 1 1 339.399 2.967 50 0 EFAAMO Cc1ccnc(NC[C@@H]2CC[N@@H+](Cc3ccc4c(c3)OC(=O)C4)C2)c1 ZINC000097200807 201382048 /nfs/dbraw/zinc/38/20/48/201382048.db2.gz CJQVEDDUMFKCGU-INIZCTEOSA-N 1 1 337.423 2.786 50 0 EFAAMO O=C(C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)Nc1ccc(Cl)cn1 ZINC000097200595 201382279 /nfs/dbraw/zinc/38/22/79/201382279.db2.gz UYSXEIAQSCEIRW-ZDUSSCGKSA-N 1 1 345.834 2.503 50 0 EFAAMO O=C(C[N@H+]1CC[C@@H](CNc2ccccn2)C1)Nc1ccc(Cl)cn1 ZINC000097200595 201382282 /nfs/dbraw/zinc/38/22/82/201382282.db2.gz UYSXEIAQSCEIRW-ZDUSSCGKSA-N 1 1 345.834 2.503 50 0 EFAAMO O[C@@H](C[N@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccc(F)c(F)c1 ZINC000097200705 201383405 /nfs/dbraw/zinc/38/34/05/201383405.db2.gz GFEUQYIYJZZJDC-GUYCJALGSA-N 1 1 333.382 2.827 50 0 EFAAMO COc1ccc(CC[N@@H+](C)Cc2ccc(N(C)C)nc2)cc1OC ZINC000215042489 241102563 /nfs/dbraw/zinc/10/25/63/241102563.db2.gz FXHPROSOQYBYMO-UHFFFAOYSA-N 1 1 329.444 2.839 50 0 EFAAMO CCOc1cc(C[N@H+](C)C[C@@H]2COCCO2)c(Cl)cc1OC ZINC000215097962 241104998 /nfs/dbraw/zinc/10/49/98/241104998.db2.gz GCNDDBAXRBZHEG-CYBMUJFWSA-N 1 1 329.824 2.595 50 0 EFAAMO CCOc1cc(C[N@@H+](C)C[C@@H]2COCCO2)c(Cl)cc1OC ZINC000215097962 241105001 /nfs/dbraw/zinc/10/50/01/241105001.db2.gz GCNDDBAXRBZHEG-CYBMUJFWSA-N 1 1 329.824 2.595 50 0 EFAAMO Cc1ccc(CN2CCC3(CC2)C[N@@H+](C)CCCN3C)c(F)c1F ZINC000215257690 241114884 /nfs/dbraw/zinc/11/48/84/241114884.db2.gz PXCGGRHNDDGVIP-UHFFFAOYSA-N 1 1 337.458 2.875 50 0 EFAAMO Cc1ccc(CN2CCC3(CC2)C[N@H+](C)CCCN3C)c(F)c1F ZINC000215257690 241114888 /nfs/dbraw/zinc/11/48/88/241114888.db2.gz PXCGGRHNDDGVIP-UHFFFAOYSA-N 1 1 337.458 2.875 50 0 EFAAMO COc1ccc(-c2ncc(C[N@@H+](C)[C@@H]3CCCC[C@@H]3O)cn2)cc1 ZINC000215249741 241115503 /nfs/dbraw/zinc/11/55/03/241115503.db2.gz BDEPKNJGYSREPN-MSOLQXFVSA-N 1 1 327.428 2.888 50 0 EFAAMO COc1ccc(C[N@H+]2CCCN(C(C)=O)CC2)c2c(OC)cccc12 ZINC000215695866 241140497 /nfs/dbraw/zinc/14/04/97/241140497.db2.gz VQEAOUKPFTUPMU-UHFFFAOYSA-N 1 1 342.439 2.911 50 0 EFAAMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccccn2)cc1Cn1cncn1 ZINC000215810348 241147155 /nfs/dbraw/zinc/14/71/55/241147155.db2.gz CNTQBSIKRWHSOS-OAHLLOKOSA-N 1 1 337.427 2.923 50 0 EFAAMO Cc1[nH+]ccn1CC[C@H](NC(=O)c1n[nH]c2c1CCC2)c1ccccc1 ZINC000215944672 241157912 /nfs/dbraw/zinc/15/79/12/241157912.db2.gz KJKLNWBDOVYPJM-KRWDZBQOSA-N 1 1 349.438 2.965 50 0 EFAAMO CCn1ncnc1C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000216045203 241161390 /nfs/dbraw/zinc/16/13/90/241161390.db2.gz FEKQBSSQXDDARF-HNNXBMFYSA-N 1 1 338.415 2.728 50 0 EFAAMO CCn1ncnc1C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000216045203 241161399 /nfs/dbraw/zinc/16/13/99/241161399.db2.gz FEKQBSSQXDDARF-HNNXBMFYSA-N 1 1 338.415 2.728 50 0 EFAAMO Cc1cc(C)n2ncc(C[N@H+]3CCCC[C@H]3CCn3cccn3)c2n1 ZINC000216138756 241168474 /nfs/dbraw/zinc/16/84/74/241168474.db2.gz HCHBZKDVILXZPJ-SFHVURJKSA-N 1 1 338.459 2.987 50 0 EFAAMO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(OCC(N)=O)c(Cl)c1 ZINC000216249925 241177383 /nfs/dbraw/zinc/17/73/83/241177383.db2.gz YDMQGLQRSHFMKY-GFCCVEGCSA-N 1 1 333.819 2.792 50 0 EFAAMO Fc1ccccc1-n1cc(C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)cn1 ZINC000216334351 241183604 /nfs/dbraw/zinc/18/36/04/241183604.db2.gz CIIKNFOMHDESSS-CQSZACIVSA-N 1 1 326.379 2.509 50 0 EFAAMO C[N@@H+]1CCN(Cc2cn(-c3ccccc3)nn2)[C@@H](c2ccccc2)C1 ZINC000216483749 241194373 /nfs/dbraw/zinc/19/43/73/241194373.db2.gz MLVHOFIFZUZYHT-HXUWFJFHSA-N 1 1 333.439 2.756 50 0 EFAAMO C[N@H+]1CCN(Cc2cn(-c3ccccc3)nn2)[C@@H](c2ccccc2)C1 ZINC000216483749 241194379 /nfs/dbraw/zinc/19/43/79/241194379.db2.gz MLVHOFIFZUZYHT-HXUWFJFHSA-N 1 1 333.439 2.756 50 0 EFAAMO CN1CC[N@@H+](Cc2ccc(OCCc3ccccc3)cc2)CCC1=O ZINC000216505214 241198663 /nfs/dbraw/zinc/19/86/63/241198663.db2.gz HJTPPJSPVRLWNP-UHFFFAOYSA-N 1 1 338.451 2.972 50 0 EFAAMO c1nc(N2CCOCC2)sc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000215446831 241126652 /nfs/dbraw/zinc/12/66/52/241126652.db2.gz VXVBIKZOIRJETQ-MRXNPFEDSA-N 1 1 330.457 2.712 50 0 EFAAMO c1nc(N2CCOCC2)sc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000215446831 241126658 /nfs/dbraw/zinc/12/66/58/241126658.db2.gz 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c1ccc(C[N@H+]2CCCO[C@H](CN3CC(c4ccccn4)C3)C2)cc1 ZINC000244620007 243044267 /nfs/dbraw/zinc/04/42/67/243044267.db2.gz FKDXVESXZVKROR-FQEVSTJZSA-N 1 1 337.467 2.772 50 0 EFAAMO NC(=O)c1ccc(OCCC[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000244641233 243049249 /nfs/dbraw/zinc/04/92/49/243049249.db2.gz GLUQDCFPUPATRW-SFHVURJKSA-N 1 1 325.412 2.787 50 0 EFAAMO CC(C)(C)c1csc(NC(=O)CN2CCC[N@H+]3CCC[C@H]3C2)n1 ZINC000244673608 243055443 /nfs/dbraw/zinc/05/54/43/243055443.db2.gz HSIHYAFBRPFLOG-ZDUSSCGKSA-N 1 1 336.505 2.549 50 0 EFAAMO C[N@@H+](CC1CCOCC1)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000244773970 243078449 /nfs/dbraw/zinc/07/84/49/243078449.db2.gz PJODVCYSDCCOHL-HXUWFJFHSA-N 1 1 332.488 2.636 50 0 EFAAMO C[N@@H+](CC1CCOCC1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000244773969 243079642 /nfs/dbraw/zinc/07/96/42/243079642.db2.gz PJODVCYSDCCOHL-FQEVSTJZSA-N 1 1 332.488 2.636 50 0 EFAAMO C[C@@H](C(=O)Nc1nncs1)[N@H+](C)Cc1ccc2ncccc2c1 ZINC000244817211 243087403 /nfs/dbraw/zinc/08/74/03/243087403.db2.gz 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CC(C)[C@H]1CN(C(=O)c2cc[nH]n2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071760434 203108957 /nfs/dbraw/zinc/10/89/57/203108957.db2.gz RPDJIRNPSJXSAM-GOSISDBHSA-N 1 1 344.434 2.922 50 0 EFAAMO COc1ccc(-c2nc(C[N@@H+]3CCC(=O)NC[C@@H]3C)c(C)o2)c(F)c1 ZINC000071761175 203109071 /nfs/dbraw/zinc/10/90/71/203109071.db2.gz CCHUWRSCLATNPW-NSHDSACASA-N 1 1 347.390 2.508 50 0 EFAAMO COc1ccc(-c2nc(C[N@H+]3CCC(=O)NC[C@@H]3C)c(C)o2)c(F)c1 ZINC000071761175 203109075 /nfs/dbraw/zinc/10/90/75/203109075.db2.gz CCHUWRSCLATNPW-NSHDSACASA-N 1 1 347.390 2.508 50 0 EFAAMO OC[C@@H]1CCC[N@H+](C2CCN(c3nccc(C4CCCC4)n3)CC2)C1 ZINC000071763602 203109927 /nfs/dbraw/zinc/10/99/27/203109927.db2.gz LZCZKFYCXCMLQY-MRXNPFEDSA-N 1 1 344.503 2.807 50 0 EFAAMO CCN1CC[NH+](C(C)(C)CNc2nc(C)cc(C3CCC3)n2)CC1 ZINC000071765411 203110704 /nfs/dbraw/zinc/11/07/04/203110704.db2.gz JYMJKAFLAMSSDB-UHFFFAOYSA-N 1 1 331.508 2.881 50 0 EFAAMO CC(C)NC(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072135293 203166485 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CC(C)c1noc(-c2ccc(NCCC[N@H+]3CCC[C@@H](O)C3)nc2)n1 ZINC000072436506 203224271 /nfs/dbraw/zinc/22/42/71/203224271.db2.gz AIFGGMHRZJHDBQ-OAHLLOKOSA-N 1 1 345.447 2.514 50 0 EFAAMO Cc1cc(N2CCN(C(=O)c3[nH]nc4ccccc43)CC2)cc(C)[nH+]1 ZINC000077340338 203381686 /nfs/dbraw/zinc/38/16/86/203381686.db2.gz DEUMCENPLPCTLD-UHFFFAOYSA-N 1 1 335.411 2.537 50 0 EFAAMO CN(c1ncccc1C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)C1CCCCC1 ZINC000077338331 203381840 /nfs/dbraw/zinc/38/18/40/203381840.db2.gz GHXIDWNBTGMRKF-MAUKXSAKSA-N 1 1 342.487 2.627 50 0 EFAAMO C[C@@]1(C(=O)N2CCC[N@H+](Cc3ccccc3F)CC2)CCCCO1 ZINC000077354532 203382652 /nfs/dbraw/zinc/38/26/52/203382652.db2.gz NANLXSKHFCKDGR-IBGZPJMESA-N 1 1 334.435 2.819 50 0 EFAAMO C[C@@]1(C(=O)N2CCC[N@@H+](Cc3ccccc3F)CC2)CCCCO1 ZINC000077354532 203382655 /nfs/dbraw/zinc/38/26/55/203382655.db2.gz NANLXSKHFCKDGR-IBGZPJMESA-N 1 1 334.435 2.819 50 0 EFAAMO Cc1ccc([C@@H]2C[N@@H+](Cc3ccncc3)C[C@H]2NC(=O)C2CC2)cc1 ZINC000077386261 203384382 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COc1ccc(C[N@H+]2CCC[C@H](CCC(=O)NC3CC3)C2)cc1OC ZINC000012440584 471775586 /nfs/dbraw/zinc/77/55/86/471775586.db2.gz PNPNKQHUUSAIRM-OAHLLOKOSA-N 1 1 346.471 2.975 50 0 EFAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)C(C)(C)O)C2)cc1 ZINC000012457909 471775618 /nfs/dbraw/zinc/77/56/18/471775618.db2.gz OFKFQFDAABAKKC-SFHVURJKSA-N 1 1 332.488 2.737 50 0 EFAAMO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000012459577 471775860 /nfs/dbraw/zinc/77/58/60/471775860.db2.gz AUQXYIJTBHWRPR-ZDUSSCGKSA-N 1 1 348.472 2.879 50 0 EFAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000012459577 471775864 /nfs/dbraw/zinc/77/58/64/471775864.db2.gz AUQXYIJTBHWRPR-ZDUSSCGKSA-N 1 1 348.472 2.879 50 0 EFAAMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1coc(COc2ccc(F)cc2)n1 ZINC000012571582 471783137 /nfs/dbraw/zinc/78/31/37/471783137.db2.gz SXEZPMMBSHGQFH-AWEZNQCLSA-N 1 1 347.390 2.559 50 0 EFAAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](C3CCOCC3)C2)c(OC)c1 ZINC000012701817 471790279 /nfs/dbraw/zinc/79/02/79/471790279.db2.gz ACWKVZRRZMJEOA-CQSZACIVSA-N 1 1 333.428 2.778 50 0 EFAAMO COCCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012715821 471791844 /nfs/dbraw/zinc/79/18/44/471791844.db2.gz CMSLLNPJULFVEX-LJQANCHMSA-N 1 1 334.435 2.677 50 0 EFAAMO Cc1ocnc1C(=O)N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012836913 471800264 /nfs/dbraw/zinc/80/02/64/471800264.db2.gz IIQHJUWWWUTVBC-KRWDZBQOSA-N 1 1 327.428 2.810 50 0 EFAAMO CC[C@@H]1CCc2sc(C(=O)NCCC[NH+]3CCOCC3)cc2C1 ZINC000013744356 471843297 /nfs/dbraw/zinc/84/32/97/471843297.db2.gz OZABYSMMAXXOAW-CQSZACIVSA-N 1 1 336.501 2.715 50 0 EFAAMO COC(=O)[C@H]1CC2(CCN(Cc3ccccc3)CC2)[N@H+]2CCC[C@@H]12 ZINC000014944196 471883442 /nfs/dbraw/zinc/88/34/42/471883442.db2.gz VEWGPGAAIZSOKU-ROUUACIJSA-N 1 1 328.456 2.679 50 0 EFAAMO COc1cccc(C[C@@H]2C[N@H+](Cc3ccc4nonc4c3)CCO2)c1 ZINC000014973438 471884358 /nfs/dbraw/zinc/88/43/58/471884358.db2.gz HPPVSMIWOKAARU-QGZVFWFLSA-N 1 1 339.395 2.675 50 0 EFAAMO COc1cccc(C[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)CCO2)c1 ZINC000014973438 471884364 /nfs/dbraw/zinc/88/43/64/471884364.db2.gz HPPVSMIWOKAARU-QGZVFWFLSA-N 1 1 339.395 2.675 50 0 EFAAMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cn(CC3CCCCC3)nn2)C1 ZINC000015070805 471888222 /nfs/dbraw/zinc/88/82/22/471888222.db2.gz UBQHFJQJTXHCBH-KRWDZBQOSA-N 1 1 347.507 2.662 50 0 EFAAMO CN1CCC([N@@H+]2CCC[C@@H](NC(=O)/C(F)=C/c3ccccc3)C2)CC1 ZINC000015075475 471888531 /nfs/dbraw/zinc/88/85/31/471888531.db2.gz LVGYOBHBGKISPP-SQFNAUOLSA-N 1 1 345.462 2.672 50 0 EFAAMO CN1CCC([N@H+]2CCC[C@@H](NC(=O)/C(F)=C/c3ccccc3)C2)CC1 ZINC000015075475 471888536 /nfs/dbraw/zinc/88/85/36/471888536.db2.gz LVGYOBHBGKISPP-SQFNAUOLSA-N 1 1 345.462 2.672 50 0 EFAAMO COc1cc(Br)c(C[N@@H+]2CCC[C@H](CO)C2)cc1OC ZINC000015261106 471894259 /nfs/dbraw/zinc/89/42/59/471894259.db2.gz JTFXTVMDKYJJJH-NSHDSACASA-N 1 1 344.249 2.671 50 0 EFAAMO COc1cc(Br)c(C[N@H+]2CCC[C@H](CO)C2)cc1OC ZINC000015261106 471894263 /nfs/dbraw/zinc/89/42/63/471894263.db2.gz JTFXTVMDKYJJJH-NSHDSACASA-N 1 1 344.249 2.671 50 0 EFAAMO CCCC[N@@H+](C)CC(=O)Nc1c2c(nc3ccccc31)N(C)CC2 ZINC000016638691 471945903 /nfs/dbraw/zinc/94/59/03/471945903.db2.gz CKSCCMQBCDXSJF-UHFFFAOYSA-N 1 1 326.444 2.898 50 0 EFAAMO CCOc1ccc(N2C(=O)C[C@H]([N@@H+]3C[C@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000018099168 471969493 /nfs/dbraw/zinc/96/94/93/471969493.db2.gz OUXYCWKAVWSYKK-VBQJREDUSA-N 1 1 330.428 2.695 50 0 EFAAMO Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCc4ccccc4C3)C2=O)cc1C ZINC000019214043 471978936 /nfs/dbraw/zinc/97/89/36/471978936.db2.gz MYWIAEAAFGGFSO-IBGZPJMESA-N 1 1 334.419 2.994 50 0 EFAAMO Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCc4ccccc4C3)C2=O)cc1C ZINC000019214043 471978940 /nfs/dbraw/zinc/97/89/40/471978940.db2.gz MYWIAEAAFGGFSO-IBGZPJMESA-N 1 1 334.419 2.994 50 0 EFAAMO O[C@@H](COc1ccc(F)cc1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019809645 471984172 /nfs/dbraw/zinc/98/41/72/471984172.db2.gz MMOCKXXDRATQLQ-MRXNPFEDSA-N 1 1 348.393 2.527 50 0 EFAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000020363021 471989841 /nfs/dbraw/zinc/98/98/41/471989841.db2.gz BRFWOXRYACLPMO-SFHVURJKSA-N 1 1 329.488 2.692 50 0 EFAAMO C[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020514587 471990424 /nfs/dbraw/zinc/99/04/24/471990424.db2.gz HVPCHFGWXWDQQT-INIZCTEOSA-N 1 1 333.451 2.596 50 0 EFAAMO CC[C@H]1CCCC[N@H+]1CCCn1c(=O)c2cccnc2[nH]c1=S ZINC000020618233 471992863 /nfs/dbraw/zinc/99/28/63/471992863.db2.gz LFDSZBZPFOTAFO-ZDUSSCGKSA-N 1 1 332.473 2.735 50 0 EFAAMO CC(=O)N1CCC([N@H+]2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)CC1 ZINC000022078518 472010251 /nfs/dbraw/zinc/01/02/51/472010251.db2.gz BFRAASKCBXSFQW-UXHICEINSA-N 1 1 333.520 2.726 50 0 EFAAMO CC(=O)N1CCC(N2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)CC1 ZINC000022078518 472010258 /nfs/dbraw/zinc/01/02/58/472010258.db2.gz BFRAASKCBXSFQW-UXHICEINSA-N 1 1 333.520 2.726 50 0 EFAAMO CC(=O)N1CCC(N2CC[N@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)CC1 ZINC000022078518 472010264 /nfs/dbraw/zinc/01/02/64/472010264.db2.gz BFRAASKCBXSFQW-UXHICEINSA-N 1 1 333.520 2.726 50 0 EFAAMO Cc1cccc(CN2CC[N@@H+](CCc3ccccc3)[C@H](CCO)C2)n1 ZINC000039363284 472023482 /nfs/dbraw/zinc/02/34/82/472023482.db2.gz WVURIEYFLRZSOD-OAQYLSRUSA-N 1 1 339.483 2.501 50 0 EFAAMO COc1cccc(CN2CC[N@@H+](Cc3cccs3)[C@H](CCO)C2)c1 ZINC000039500609 472024293 /nfs/dbraw/zinc/02/42/93/472024293.db2.gz GGSPZGBUXUZIED-QGZVFWFLSA-N 1 1 346.496 2.826 50 0 EFAAMO CCn1nc(C)c(C[N@H+]2CCC[C@@H](CNC(=O)C=C(C)C)C2)c1C ZINC000067540756 472046821 /nfs/dbraw/zinc/04/68/21/472046821.db2.gz PNBMHLGVCMMFOQ-KRWDZBQOSA-N 1 1 332.492 2.814 50 0 EFAAMO COc1ccc2cc(C[N@H+]3CCOC[C@@H]3CC(C)C)c(=O)[nH]c2c1 ZINC000067560293 472049699 /nfs/dbraw/zinc/04/96/99/472049699.db2.gz XKGBJJGWVJSJMD-INIZCTEOSA-N 1 1 330.428 2.784 50 0 EFAAMO CC(C)C[N@H+]1CCC[C@H](CCNC(=O)c2cc(Cl)c[nH]c2=O)C1 ZINC000067563216 472050730 /nfs/dbraw/zinc/05/07/30/472050730.db2.gz UXBPGOZILLXBEY-CYBMUJFWSA-N 1 1 339.867 2.516 50 0 EFAAMO CC[C@@H]([NH2+]CCc1n[nH]c2c1CCCC2)C(=O)Nc1ccccc1 ZINC000067673829 472068887 /nfs/dbraw/zinc/06/88/87/472068887.db2.gz QSXMONUNMBUVIG-MRXNPFEDSA-N 1 1 326.444 2.838 50 0 EFAAMO Nc1cc[nH+]c(N2CCc3onc(-c4ccc(Cl)cc4)c3C2)n1 ZINC000067678164 472070103 /nfs/dbraw/zinc/07/01/03/472070103.db2.gz GFJFYUQRFOKZLG-UHFFFAOYSA-N 1 1 327.775 2.930 50 0 EFAAMO Cc1ccc(C)c(CC(=O)NC[C@H]2CC[N@@H+](Cc3ccncc3)C2)c1 ZINC000067690517 472073110 /nfs/dbraw/zinc/07/31/10/472073110.db2.gz ZGLKDQREYJXUTN-LJQANCHMSA-N 1 1 337.467 2.879 50 0 EFAAMO Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)C(C)(C)[NH3+])CC2)c1 ZINC000067691543 472073257 /nfs/dbraw/zinc/07/32/57/472073257.db2.gz YBIWXWBKTVSOPC-UHFFFAOYSA-N 1 1 326.444 2.828 50 0 EFAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC000067697267 472073293 /nfs/dbraw/zinc/07/32/93/472073293.db2.gz GJWBMCIGBRKOBT-HNNXBMFYSA-N 1 1 326.444 2.927 50 0 EFAAMO CN(CCc1nc2cc(F)ccc2[nH]1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000067713291 472077984 /nfs/dbraw/zinc/07/79/84/472077984.db2.gz QFOCDFWNZICUKI-HNNXBMFYSA-N 1 1 346.450 2.967 50 0 EFAAMO CN(CCc1nc2ccc(F)cc2[nH]1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000067713291 472077992 /nfs/dbraw/zinc/07/79/92/472077992.db2.gz QFOCDFWNZICUKI-HNNXBMFYSA-N 1 1 346.450 2.967 50 0 EFAAMO CN(CCc1nc2ccc(F)cc2[nH]1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000067713291 472078001 /nfs/dbraw/zinc/07/80/01/472078001.db2.gz QFOCDFWNZICUKI-HNNXBMFYSA-N 1 1 346.450 2.967 50 0 EFAAMO C/C(=C\c1ccco1)C[N@H+]1CC[C@@H](CNC(=O)c2cncs2)C1 ZINC000067714159 472078246 /nfs/dbraw/zinc/07/82/46/472078246.db2.gz IUHWCKHDTSXDSE-GUNGLEHYSA-N 1 1 331.441 2.891 50 0 EFAAMO Cc1n[nH]c(C)c1CCC(=O)NC[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000067757711 472084805 /nfs/dbraw/zinc/08/48/05/472084805.db2.gz CTGDCPWNCYHLDJ-INIZCTEOSA-N 1 1 332.492 2.730 50 0 EFAAMO COC(C)(C)C(=O)NC[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000067758295 472084938 /nfs/dbraw/zinc/08/49/38/472084938.db2.gz GFUCRLIBXDURLP-AWEZNQCLSA-N 1 1 329.444 2.531 50 0 EFAAMO CC(=O)Nc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c(C)c1 ZINC000067758656 472084978 /nfs/dbraw/zinc/08/49/78/472084978.db2.gz JIJUSMTUFKSIQG-INIZCTEOSA-N 1 1 331.460 2.661 50 0 EFAAMO O=C(Cn1cccc1)NC[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000067757602 472085363 /nfs/dbraw/zinc/08/53/63/472085363.db2.gz XWZOIDVQZMIVLU-MRXNPFEDSA-N 1 1 336.439 2.608 50 0 EFAAMO Cc1cccc(C[N@H+]2CC[C@@H](CNC(=O)Cc3ccc(O)cc3)C2)c1 ZINC000067774073 472088542 /nfs/dbraw/zinc/08/85/42/472088542.db2.gz FUHSAIXRRWRRND-IBGZPJMESA-N 1 1 338.451 2.881 50 0 EFAAMO O[C@H](c1cccs1)C1CC[NH+](Cc2cnn3cccnc23)CC1 ZINC000067790290 472089693 /nfs/dbraw/zinc/08/96/93/472089693.db2.gz OXDXZGJULXEABQ-INIZCTEOSA-N 1 1 328.441 2.736 50 0 EFAAMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC000067817179 472094065 /nfs/dbraw/zinc/09/40/65/472094065.db2.gz BVEJWSSQOCEVOH-HNNXBMFYSA-N 1 1 341.455 2.626 50 0 EFAAMO COc1ccc(C2(C(=O)NC[C@H]3CCC[N@@H+](C)C3)CCCC2)cc1 ZINC000067820503 472094093 /nfs/dbraw/zinc/09/40/93/472094093.db2.gz XQGAFWOANQJDKM-MRXNPFEDSA-N 1 1 330.472 2.965 50 0 EFAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1cc(Cl)c[nH]c1=O ZINC000067817436 472094257 /nfs/dbraw/zinc/09/42/57/472094257.db2.gz IGOSLFUDGJMWRT-CQSZACIVSA-N 1 1 348.834 2.618 50 0 EFAAMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](C)C[C@H]3CCCCO3)cc2c1 ZINC000067833401 472095644 /nfs/dbraw/zinc/09/56/44/472095644.db2.gz RDKSGNAEBYLEGK-QGZVFWFLSA-N 1 1 330.428 2.928 50 0 EFAAMO CC(C)C[N@@H+](C)C[C@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067840318 472096887 /nfs/dbraw/zinc/09/68/87/472096887.db2.gz IIHODVSHHVGTKT-HXUWFJFHSA-N 1 1 332.488 2.561 50 0 EFAAMO Cc1cnccc1C(=O)NC[C@@H]1CC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000067847712 472097393 /nfs/dbraw/zinc/09/73/93/472097393.db2.gz GCBWVNTWHFUFGI-HNNXBMFYSA-N 1 1 349.438 2.518 50 0 EFAAMO Cc1cnccc1C(=O)NC[C@@H]1CC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000067847712 472097396 /nfs/dbraw/zinc/09/73/96/472097396.db2.gz GCBWVNTWHFUFGI-HNNXBMFYSA-N 1 1 349.438 2.518 50 0 EFAAMO O=C(Cc1ccccn1)NC[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000067849993 472097940 /nfs/dbraw/zinc/09/79/40/472097940.db2.gz GNPVQAWUTQPQGP-AWEZNQCLSA-N 1 1 345.393 2.541 50 0 EFAAMO CCc1cc(C[N@H+]2CC[C@@H](CNC(=O)c3cccc(O)c3C)C2)on1 ZINC000067856224 472098848 /nfs/dbraw/zinc/09/88/48/472098848.db2.gz VZCMMKHQUFJBPF-AWEZNQCLSA-N 1 1 343.427 2.503 50 0 EFAAMO COc1ccccc1C[N@H+]1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000067909103 472108708 /nfs/dbraw/zinc/10/87/08/472108708.db2.gz HQWHNUCUIUZSOV-DLBZAZTESA-N 1 1 341.407 2.774 50 0 EFAAMO O=C(NC[C@@H]1CCC[N@@H+](C/C=C/c2ccco2)C1)c1cncs1 ZINC000067934470 472111368 /nfs/dbraw/zinc/11/13/68/472111368.db2.gz GBBQRAQLFLOWIY-IWZWCOEHSA-N 1 1 331.441 2.891 50 0 EFAAMO O[C@@H]1C[N@@H+](Cc2cccc(F)c2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067935327 472111400 /nfs/dbraw/zinc/11/14/00/472111400.db2.gz XDBWKEBWUDDFKQ-DLBZAZTESA-N 1 1 329.371 2.905 50 0 EFAAMO Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@H](CCNS(C)(=O)=O)C1 ZINC000067947487 472113361 /nfs/dbraw/zinc/11/33/61/472113361.db2.gz QPTDZAIAHACBQH-OAHLLOKOSA-N 1 1 349.500 2.628 50 0 EFAAMO CC(=O)NCCC1=CC[N@@H+](CCc2nc3cc(C)ccc3[nH]2)CC1 ZINC000067947994 472113406 /nfs/dbraw/zinc/11/34/06/472113406.db2.gz ILFDGGTUIVDHHK-UHFFFAOYSA-N 1 1 326.444 2.572 50 0 EFAAMO CC(=O)NCCC1=CC[N@H+](CCc2nc3ccc(C)cc3[nH]2)CC1 ZINC000067947994 472113413 /nfs/dbraw/zinc/11/34/13/472113413.db2.gz ILFDGGTUIVDHHK-UHFFFAOYSA-N 1 1 326.444 2.572 50 0 EFAAMO CC(=O)NCCC1=CC[N@@H+](CCc2nc3ccc(C)cc3[nH]2)CC1 ZINC000067947994 472113418 /nfs/dbraw/zinc/11/34/18/472113418.db2.gz ILFDGGTUIVDHHK-UHFFFAOYSA-N 1 1 326.444 2.572 50 0 EFAAMO COc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000067982142 472118237 /nfs/dbraw/zinc/11/82/37/472118237.db2.gz VVOPPASAMUPBKM-AWEZNQCLSA-N 1 1 335.448 2.946 50 0 EFAAMO CCOc1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)C(C)C)C3)C2)cn1 ZINC000067981793 472118258 /nfs/dbraw/zinc/11/82/58/472118258.db2.gz UQTFFMKJFFXVSC-FQEVSTJZSA-N 1 1 345.487 2.951 50 0 EFAAMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccn2)C1)Nc1ccc(F)cc1 ZINC000067973777 472118852 /nfs/dbraw/zinc/11/88/52/472118852.db2.gz YGSGJLDOWFPDPO-CQSZACIVSA-N 1 1 328.391 2.864 50 0 EFAAMO Cc1ccc(-c2ccc(C(=O)NCC[C@H]3C[N@H+](C)CCO3)o2)cc1 ZINC000067974897 472118964 /nfs/dbraw/zinc/11/89/64/472118964.db2.gz CCVDWTSDNXQFSX-INIZCTEOSA-N 1 1 328.412 2.706 50 0 EFAAMO Cc1ccc(-c2ccc(C(=O)NCC[C@H]3C[N@@H+](C)CCO3)o2)cc1 ZINC000067974897 472118970 /nfs/dbraw/zinc/11/89/70/472118970.db2.gz CCVDWTSDNXQFSX-INIZCTEOSA-N 1 1 328.412 2.706 50 0 EFAAMO COc1cccc(NC(=O)NC[C@H]2CC[N@@H+](Cc3cc(C)no3)C2)c1 ZINC000067982067 472118985 /nfs/dbraw/zinc/11/89/85/472118985.db2.gz LGRGNUZYFGEDFF-CQSZACIVSA-N 1 1 344.415 2.635 50 0 EFAAMO Cc1ccc(NC(=O)CC(=O)NCCNc2[nH+]cccc2C)c(C)c1 ZINC000055154130 472144718 /nfs/dbraw/zinc/14/47/18/472144718.db2.gz VOTUGJGDQBDMEB-UHFFFAOYSA-N 1 1 340.427 2.564 50 0 EFAAMO Cc1nsc(NC(=O)NCc2ccccc2-n2cc[nH+]c2C)n1 ZINC000055255344 472157861 /nfs/dbraw/zinc/15/78/61/472157861.db2.gz FJFGUQNZBXLBOP-UHFFFAOYSA-N 1 1 328.401 2.662 50 0 EFAAMO O=C(CC12CC3CC(CC(C3)C1)C2)NCCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000055359778 472173248 /nfs/dbraw/zinc/17/32/48/472173248.db2.gz RSKBOENXVDAEHB-HINLZNOGSA-N 1 1 348.531 2.804 50 0 EFAAMO CCCC(=O)Nc1cc(C(=O)NCC[C@H]2CCC[N@H+]2C)ccc1C ZINC000055368849 472174275 /nfs/dbraw/zinc/17/42/75/472174275.db2.gz GRPKYDXOWZSOND-MRXNPFEDSA-N 1 1 331.460 2.948 50 0 EFAAMO CC(C)(C)OC(=O)[C@@H]([NH3+])CCCCNC(=O)OCc1ccccc1 ZINC000055392749 472177961 /nfs/dbraw/zinc/17/79/61/472177961.db2.gz AKFVZALISNAFRA-HNNXBMFYSA-N 1 1 336.432 2.752 50 0 EFAAMO CCSc1nc(CC(=O)NCCNc2[nH+]cccc2C)cs1 ZINC000055413168 472183087 /nfs/dbraw/zinc/18/30/87/472183087.db2.gz DDQSBYYSNBRZNV-UHFFFAOYSA-N 1 1 336.486 2.729 50 0 EFAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(-c2ccco2)n[nH]1 ZINC000085879818 472269860 /nfs/dbraw/zinc/26/98/60/472269860.db2.gz YSVKCYCPZSDEBP-XJKSGUPXSA-N 1 1 328.416 2.664 50 0 biogenic EFAAMO COc1ccc(NC(=S)NCCCn2c[nH+]cc2C)cc1OC ZINC000045245356 472385473 /nfs/dbraw/zinc/38/54/73/472385473.db2.gz AYTMAWUKURFAAB-UHFFFAOYSA-N 1 1 334.445 2.585 50 0 EFAAMO CC[NH+]1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000057464042 472441064 /nfs/dbraw/zinc/44/10/64/472441064.db2.gz UKWGBWXYGHOFQC-UHFFFAOYSA-N 1 1 336.233 2.708 50 0 EFAAMO O=C(C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(Cl)cc1 ZINC000057567765 472452191 /nfs/dbraw/zinc/45/21/91/472452191.db2.gz REDAZTXFMZRDTC-HIFRSBDPSA-N 1 1 342.826 2.804 50 0 EFAAMO O=C(C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(Cl)cc1 ZINC000057567765 472452193 /nfs/dbraw/zinc/45/21/93/472452193.db2.gz REDAZTXFMZRDTC-HIFRSBDPSA-N 1 1 342.826 2.804 50 0 EFAAMO COCC[N@H+]1CC[C@H](CN(C)Cc2cn(-c3ccccc3)nc2C)C1 ZINC000097259319 472487453 /nfs/dbraw/zinc/48/74/53/472487453.db2.gz OLOBXZBOYUVOCL-GOSISDBHSA-N 1 1 342.487 2.581 50 0 EFAAMO c1ccc(C[NH+]2CCC(Cc3nc([C@H]4CCOC4)n[nH]3)CC2)cc1 ZINC000097547881 472499238 /nfs/dbraw/zinc/49/92/38/472499238.db2.gz HIMHCJCWMMDVCZ-KRWDZBQOSA-N 1 1 326.444 2.763 50 0 EFAAMO c1ccc(C[NH+]2CCC(Cc3n[nH]c([C@H]4CCOC4)n3)CC2)cc1 ZINC000097547881 472499247 /nfs/dbraw/zinc/49/92/47/472499247.db2.gz HIMHCJCWMMDVCZ-KRWDZBQOSA-N 1 1 326.444 2.763 50 0 EFAAMO Cc1ccc(-c2cccc(C(=O)NCC[N@H+]3CCCC[C@@H]3CO)c2)o1 ZINC000097527807 472499676 /nfs/dbraw/zinc/49/96/76/472499676.db2.gz PBNMKURGFMZHNR-GOSISDBHSA-N 1 1 342.439 2.832 50 0 EFAAMO Cc1ccc([C@H](C)CC[NH+]2CCN(c3ncnc4[nH]cnc43)CC2)o1 ZINC000097551385 472499956 /nfs/dbraw/zinc/49/99/56/472499956.db2.gz PRRCXNQXEWKMBT-CYBMUJFWSA-N 1 1 340.431 2.570 50 0 EFAAMO CC(C)n1cc(C(=O)NC[C@H](c2cccnc2)[NH+]2CCCCC2)cn1 ZINC000097527799 472500323 /nfs/dbraw/zinc/50/03/23/472500323.db2.gz HIKNOVDWGBPIHG-GOSISDBHSA-N 1 1 341.459 2.816 50 0 EFAAMO Cc1cccc(CC2(NC(=O)C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC000097681690 472504675 /nfs/dbraw/zinc/50/46/75/472504675.db2.gz QSJZALHMYDZQHC-GOSISDBHSA-N 1 1 330.472 2.686 50 0 EFAAMO Cc1ccn2c(c1)nc(C(=O)N1CC[NH2+][C@@H](c3ccccc3)C1)c2F ZINC000097713498 472505859 /nfs/dbraw/zinc/50/58/59/472505859.db2.gz UYKKPZQJJNSATI-OAHLLOKOSA-N 1 1 338.386 2.569 50 0 EFAAMO C[C@@H](Cc1cnccn1)[N@@H+](C)Cc1cc(F)ccc1-n1cccn1 ZINC000097813688 472507856 /nfs/dbraw/zinc/50/78/56/472507856.db2.gz UKUQWOZEQRKNQS-AWEZNQCLSA-N 1 1 325.391 2.864 50 0 EFAAMO COCCCC[NH+]1CCN(C(=O)c2ccc3cccc(F)c3n2)CC1 ZINC000097797708 472508146 /nfs/dbraw/zinc/50/81/46/472508146.db2.gz YFLJEHPCOGOYQC-UHFFFAOYSA-N 1 1 345.418 2.558 50 0 EFAAMO Cc1noc2nc(C)cc(C(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)c12 ZINC000058181520 472513976 /nfs/dbraw/zinc/51/39/76/472513976.db2.gz DPTVEQRFNBZVIZ-CQSZACIVSA-N 1 1 330.432 2.690 50 0 EFAAMO CC(=O)N[C@@H]1C[N@H+](Cc2nc3ccccc3[nH]2)C[C@H]1c1ccc(C)cc1 ZINC000077555289 472555498 /nfs/dbraw/zinc/55/54/98/472555498.db2.gz SQTMSPWPXHJVFS-FXAWDEMLSA-N 1 1 348.450 2.975 50 0 EFAAMO CC(=O)N[C@@H]1C[N@@H+](Cc2nc3ccccc3[nH]2)C[C@H]1c1ccc(C)cc1 ZINC000077555289 472555501 /nfs/dbraw/zinc/55/55/01/472555501.db2.gz SQTMSPWPXHJVFS-FXAWDEMLSA-N 1 1 348.450 2.975 50 0 EFAAMO Cc1cc(COc2ccccc2)oc1C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000077556141 472555569 /nfs/dbraw/zinc/55/55/69/472555569.db2.gz XJZDTWKMNCSSQS-MAUKXSAKSA-N 1 1 340.423 2.943 50 0 EFAAMO CCCc1ccc2oc(C(=O)NCC[NH+]3CCC(O)CC3)c(C)c2c1 ZINC000077564008 472556828 /nfs/dbraw/zinc/55/68/28/472556828.db2.gz AZZGZAWOJWGVGQ-UHFFFAOYSA-N 1 1 344.455 2.880 50 0 EFAAMO Cc1cccc(N2CCC([N@H+]3CC[C@]4(CN(C)C(=O)O4)C3)CC2)c1C ZINC000072454139 472665158 /nfs/dbraw/zinc/66/51/58/472665158.db2.gz PHIRRUKSVXPPSB-FQEVSTJZSA-N 1 1 343.471 2.799 50 0 EFAAMO CC(C)C[N@H+]1CCN(Cc2ccc(O)c(Cl)c2)C[C@H]1CCO ZINC000104497882 472674852 /nfs/dbraw/zinc/67/48/52/472674852.db2.gz BRRSCNLIZHLHKT-OAHLLOKOSA-N 1 1 326.868 2.570 50 0 EFAAMO CC(C)C[N@H+]1CCN(Cc2c[nH]nc2C2CCCCC2)C[C@H]1CCO ZINC000104837818 472697050 /nfs/dbraw/zinc/69/70/50/472697050.db2.gz NZDYMXSHWJOHML-LJQANCHMSA-N 1 1 348.535 2.982 50 0 EFAAMO COCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000062373097 472736052 /nfs/dbraw/zinc/73/60/52/472736052.db2.gz OUFVFKHZUGVXLJ-NSHDSACASA-N 1 1 329.803 2.569 50 0 EFAAMO Cc1noc(C)c1C[N@@H+]1CCCN(C(=O)Cc2ccccc2)CC1 ZINC000062615460 472743402 /nfs/dbraw/zinc/74/34/02/472743402.db2.gz WBOOMWNXLRANGU-UHFFFAOYSA-N 1 1 327.428 2.568 50 0 EFAAMO Cc1noc(C)c1C[N@H+]1CCCN(C(=O)Cc2ccccc2)CC1 ZINC000062615460 472743408 /nfs/dbraw/zinc/74/34/08/472743408.db2.gz WBOOMWNXLRANGU-UHFFFAOYSA-N 1 1 327.428 2.568 50 0 EFAAMO Cc1nc(CC(=O)N[C@H]2C[N@@H+](CC3CCC3)C[C@@H]2C2CC2)cs1 ZINC000091255204 472748944 /nfs/dbraw/zinc/74/89/44/472748944.db2.gz QBKBZXYCKIKXOM-SJORKVTESA-N 1 1 333.501 2.621 50 0 EFAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)NC(C)C)C3)cc1 ZINC000091270555 472750944 /nfs/dbraw/zinc/75/09/44/472750944.db2.gz GAKUBRLYQMWKNH-DLBZAZTESA-N 1 1 331.460 2.709 50 0 EFAAMO COc1ccnc(CN2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)c1OC ZINC000091289354 472752640 /nfs/dbraw/zinc/75/26/40/472752640.db2.gz FOYJRTIALNGFIE-DLBZAZTESA-N 1 1 345.487 2.795 50 0 EFAAMO CC[C@H]1CN(C(=O)c2ccc(OC)c(F)c2F)CC[N@H+]1C(C)C ZINC000091325284 472757203 /nfs/dbraw/zinc/75/72/03/472757203.db2.gz FOLHCVCLMVLCAV-LBPRGKRZSA-N 1 1 326.387 2.918 50 0 EFAAMO CC[C@@H]1CN(C(=O)c2ccc(OC)c(F)c2F)CC[N@H+]1C(C)C ZINC000091325282 472757303 /nfs/dbraw/zinc/75/73/03/472757303.db2.gz FOLHCVCLMVLCAV-GFCCVEGCSA-N 1 1 326.387 2.918 50 0 EFAAMO CC(C)C(=O)N1CCC([N@H+]2CC[C@@H](Cc3ccc(CO)cc3)C2)CC1 ZINC000091410430 472762982 /nfs/dbraw/zinc/76/29/82/472762982.db2.gz BUHULSIUKWYWDJ-IBGZPJMESA-N 1 1 344.499 2.690 50 0 EFAAMO COCC[C@@]1(CO)CCC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000091382124 472763268 /nfs/dbraw/zinc/76/32/68/472763268.db2.gz DXTUNVUBBJTGJS-KRWDZBQOSA-N 1 1 327.852 2.830 50 0 EFAAMO Cc1nc(CCNC(=O)CC[C@@H]2CCC[N@H+](C)C2)sc1Cl ZINC000091391505 472763575 /nfs/dbraw/zinc/76/35/75/472763575.db2.gz CKJBGMXUWXUXJZ-LBPRGKRZSA-N 1 1 329.897 2.886 50 0 EFAAMO CC(C)C(=O)N1CCC([N@H+]2CC[C@H](Cc3ccc(CO)cc3)C2)CC1 ZINC000091410427 472763603 /nfs/dbraw/zinc/76/36/03/472763603.db2.gz BUHULSIUKWYWDJ-LJQANCHMSA-N 1 1 344.499 2.690 50 0 EFAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCCCN1CCCc2ccccc21 ZINC000091411386 472763620 /nfs/dbraw/zinc/76/36/20/472763620.db2.gz BXFCMBGQDIYBND-IBGZPJMESA-N 1 1 329.488 2.820 50 0 EFAAMO COCC[C@@]1(CO)CCC[N@@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC000091444635 472767314 /nfs/dbraw/zinc/76/73/14/472767314.db2.gz ANSKJOSIUJJOFX-HNNXBMFYSA-N 1 1 332.366 2.711 50 0 EFAAMO Cc1cccc([C@H](C(=O)N2CCC(c3nccn3C)CC2)[NH+](C)C)c1 ZINC000091444840 472767416 /nfs/dbraw/zinc/76/74/16/472767416.db2.gz ZDUVRUCGGOBGDO-GOSISDBHSA-N 1 1 340.471 2.737 50 0 EFAAMO COCC[N@H+]1CC[C@H](C(=O)N2CCC(Cc3ccc(F)cc3)CC2)C1 ZINC000091526183 472774825 /nfs/dbraw/zinc/77/48/25/472774825.db2.gz OOPGVUJMIVXPFG-SFHVURJKSA-N 1 1 348.462 2.575 50 0 EFAAMO Cc1ccc(C)c2c(=O)cc(C[NH2+]Cc3csc(N(C)C)n3)[nH]c12 ZINC000091586819 472779753 /nfs/dbraw/zinc/77/97/53/472779753.db2.gz NNJVSPZUAZXGIU-UHFFFAOYSA-N 1 1 342.468 2.957 50 0 EFAAMO O=c1cc(CN2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)[nH]c2ccccc12 ZINC000091595867 472781084 /nfs/dbraw/zinc/78/10/84/472781084.db2.gz VLWAZJJMVWBOME-FUHWJXTLSA-N 1 1 337.467 2.834 50 0 EFAAMO COCCN(Cc1ccccn1)C(=O)[C@@H](c1cccc(C)c1)[NH+](C)C ZINC000091645241 472788468 /nfs/dbraw/zinc/78/84/68/472788468.db2.gz KLIYOUQSZBPGQJ-LJQANCHMSA-N 1 1 341.455 2.668 50 0 EFAAMO CSc1ccc(CN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)cc1 ZINC000091656768 472789762 /nfs/dbraw/zinc/78/97/62/472789762.db2.gz PNOQXFVNSPJTTG-IBGZPJMESA-N 1 1 347.528 2.537 50 0 EFAAMO C[C@@H]1C[N@@H+](CCC(=O)N(C)Cc2ccccc2)C[C@@]1(O)C1CCC1 ZINC000091664098 472789972 /nfs/dbraw/zinc/78/99/72/472789972.db2.gz ZRBCQRVJMMTZCR-UZLBHIALSA-N 1 1 330.472 2.518 50 0 EFAAMO COc1cccc(CNC(=O)[C@H](C)n2cc[nH+]c2C(C)C)c1OC ZINC000091665291 472790578 /nfs/dbraw/zinc/79/05/78/472790578.db2.gz LYUDOJBYVSIVHK-ZDUSSCGKSA-N 1 1 331.416 2.901 50 0 EFAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cc1ccc(O)c(Cl)c1)C2 ZINC000091650286 472790845 /nfs/dbraw/zinc/79/08/45/472790845.db2.gz RQFDXZKEOKSUSA-HUUCEWRRSA-N 1 1 336.863 2.921 50 0 EFAAMO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)o1 ZINC000091713984 472797335 /nfs/dbraw/zinc/79/73/35/472797335.db2.gz IRENQZFWPCFTJI-NVXWUHKLSA-N 1 1 325.412 2.720 50 0 EFAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(C)oc1C)CC2 ZINC000091726095 472797358 /nfs/dbraw/zinc/79/73/58/472797358.db2.gz BRDDUPQWWLRPQC-UHFFFAOYSA-N 1 1 342.443 2.629 50 0 EFAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)N2CCCC2)C3)cc1 ZINC000091770454 472804860 /nfs/dbraw/zinc/80/48/60/472804860.db2.gz QHYCPPKNRZLKSS-ZWKOTPCHSA-N 1 1 343.471 2.807 50 0 EFAAMO CN1CCC[C@]2(CC[N@@H+](CCCCOCc3ccccc3)C2)C1=O ZINC000091769811 472805367 /nfs/dbraw/zinc/80/53/67/472805367.db2.gz YBQDFPDGDWXOEI-HXUWFJFHSA-N 1 1 330.472 2.928 50 0 EFAAMO Cc1cc(C)n(-c2cccc(C(=O)N3C[C@H]4CC[C@H](C[N@@H+]4C)C3)c2)n1 ZINC000091770126 472805381 /nfs/dbraw/zinc/80/53/81/472805381.db2.gz NIBBQFPZPLVJKU-VQIMIIECSA-N 1 1 338.455 2.655 50 0 EFAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(F)c(Cl)c1)C2 ZINC000091829498 472813835 /nfs/dbraw/zinc/81/38/35/472813835.db2.gz RCACBFGZHYKXOM-TZMCWYRMSA-N 1 1 340.826 2.662 50 0 EFAAMO O=C(NCc1ccccc1F)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000091915067 472825985 /nfs/dbraw/zinc/82/59/85/472825985.db2.gz NHKBCOTUSSYGFP-NVXWUHKLSA-N 1 1 331.435 2.842 50 0 EFAAMO Cn1nc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000079189475 472829658 /nfs/dbraw/zinc/82/96/58/472829658.db2.gz BVNOCQFUEAJMIL-GOEBONIOSA-N 1 1 326.444 2.568 50 0 biogenic EFAAMO Cc1noc2nc(C)cc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c12 ZINC000079193970 472829944 /nfs/dbraw/zinc/82/99/44/472829944.db2.gz BZBGQWVSMLYZQQ-GOEBONIOSA-N 1 1 342.443 2.834 50 0 biogenic EFAAMO [NH3+]CCc1ccc(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H](C(=O)[O-])C2)cc1 ZINC000091950661 472830831 /nfs/dbraw/zinc/83/08/31/472830831.db2.gz ACMZTMNKRMECBO-RBUKOAKNSA-N 1 1 342.414 2.627 50 0 EFAAMO CCCc1cc(C(=O)N[C@H](C)C[N@H+]2CCc3ccccc3C2)[nH]n1 ZINC000091966321 472835004 /nfs/dbraw/zinc/83/50/04/472835004.db2.gz JGPDRKAAKBXBJU-CQSZACIVSA-N 1 1 326.444 2.539 50 0 EFAAMO CCC[C@H]1C[N@@H+](Cc2cc(C)no2)C[C@@H]1NC(=O)C1(COC)CCC1 ZINC000092019370 472844961 /nfs/dbraw/zinc/84/49/61/472844961.db2.gz PNUFZPQZZKFGIE-RDJZCZTQSA-N 1 1 349.475 2.516 50 0 EFAAMO Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](c2cccc(F)c2)[C@H](C(=O)[O-])C1 ZINC000092028948 472845419 /nfs/dbraw/zinc/84/54/19/472845419.db2.gz DVMZLQPLPFUMCS-DLBZAZTESA-N 1 1 331.391 2.521 50 0 EFAAMO Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H](C(=O)[O-])C1 ZINC000092028948 472845425 /nfs/dbraw/zinc/84/54/25/472845425.db2.gz DVMZLQPLPFUMCS-DLBZAZTESA-N 1 1 331.391 2.521 50 0 EFAAMO CC[N@H+]1CCC[C@@](C)(C(=O)NCCc2c[nH]c3ccc(OC)cc23)C1 ZINC000092037341 472846166 /nfs/dbraw/zinc/84/61/66/472846166.db2.gz SKUBNTFPHWPWMU-HXUWFJFHSA-N 1 1 343.471 2.957 50 0 EFAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1oc2cc(C)ccc2c1C ZINC000092061952 472848539 /nfs/dbraw/zinc/84/85/39/472848539.db2.gz SYMGFNDPTSALCE-RDJZCZTQSA-N 1 1 330.428 2.887 50 0 EFAAMO CCc1nc(C[N@@H+]2CCC[C@H](c3nccn3CCOC)C2)cs1 ZINC000092062258 472849104 /nfs/dbraw/zinc/84/91/04/472849104.db2.gz FGCWWBWMJADCAU-AWEZNQCLSA-N 1 1 334.489 2.928 50 0 EFAAMO CCc1nc(C[N@H+]2CCC[C@H](c3nccn3CCOC)C2)cs1 ZINC000092062258 472849115 /nfs/dbraw/zinc/84/91/15/472849115.db2.gz FGCWWBWMJADCAU-AWEZNQCLSA-N 1 1 334.489 2.928 50 0 EFAAMO CC(C)(C)c1cc(C[N@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)[nH]n1 ZINC000092098713 472859140 /nfs/dbraw/zinc/85/91/40/472859140.db2.gz YQDPSZNHPOZPIX-FQEVSTJZSA-N 1 1 344.503 2.932 50 0 EFAAMO O=C(C[NH+]1CCCC1)Nc1ccc2c(c1)C(=O)Nc1cccnc1O2 ZINC000079490993 472873245 /nfs/dbraw/zinc/87/32/45/472873245.db2.gz CKQUDNLAVAFJSN-UHFFFAOYSA-N 1 1 338.367 2.858 50 0 EFAAMO C[N@@H+]1[C@H](CC(=O)c2ccccc2)[C@H](O)C[C@H]1CC(=O)c1ccccc1 ZINC000106803438 472894318 /nfs/dbraw/zinc/89/43/18/472894318.db2.gz CHZLLIURHLNVQA-DBXWQHBBSA-N 1 1 337.419 2.966 50 0 EFAAMO C[NH+]1CCC(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC000065363747 472926831 /nfs/dbraw/zinc/92/68/31/472926831.db2.gz WPROVRBVBILMHU-UHFFFAOYSA-N 1 1 349.906 2.762 50 0 EFAAMO CC[N@H+]1CCC[C@](C)(C(=O)NCc2ccc(-c3noc(C)n3)cc2)C1 ZINC000065382679 472930075 /nfs/dbraw/zinc/93/00/75/472930075.db2.gz RLCVBAAZHHKUKO-IBGZPJMESA-N 1 1 342.443 2.783 50 0 EFAAMO CC(C)c1nc(CCNC(=O)[C@@H]2CCC[N@H+](C3CCCCC3)C2)no1 ZINC000065385020 472930881 /nfs/dbraw/zinc/93/08/81/472930881.db2.gz FPLQCBKHGMMFQP-OAHLLOKOSA-N 1 1 348.491 2.896 50 0 EFAAMO CC(C)[N@H+](Cc1coc2ccc(Cl)cc2c1=O)C[C@@H]1CCC(=O)N1 ZINC000065404306 472935365 /nfs/dbraw/zinc/93/53/65/472935365.db2.gz YGKDCZPQBYDOGT-AWEZNQCLSA-N 1 1 348.830 2.935 50 0 EFAAMO CCc1nnc(CN(C(=O)[C@H](c2cccc(C)c2)[NH+](C)C)C(C)C)o1 ZINC000065408680 472936683 /nfs/dbraw/zinc/93/66/83/472936683.db2.gz PQBBWEHPQRUOLH-SFHVURJKSA-N 1 1 344.459 2.980 50 0 EFAAMO CCn1nc(C)c(CCNC(=O)[C@H](c2cccc(C)c2)[NH+](C)C)c1C ZINC000065420431 472938471 /nfs/dbraw/zinc/93/84/71/472938471.db2.gz FWILBACIGNHMEW-IBGZPJMESA-N 1 1 342.487 2.790 50 0 EFAAMO C[C@@H](C(=O)NC1CCCC1)[N@@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000065418846 472938742 /nfs/dbraw/zinc/93/87/42/472938742.db2.gz QGTPCDZAVGBMLV-HNNXBMFYSA-N 1 1 326.444 2.751 50 0 EFAAMO CCOc1ccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)cn1 ZINC000065417210 472938926 /nfs/dbraw/zinc/93/89/26/472938926.db2.gz RCFBLXBDRBQFDZ-ZWKOTPCHSA-N 1 1 330.403 2.970 50 0 EFAAMO CCc1ccc2oc(=O)cc(C[N@@H+]3CC=C(CNC(C)=O)CC3)c2c1 ZINC000065424883 472940245 /nfs/dbraw/zinc/94/02/45/472940245.db2.gz HFTWLRFWDICLMZ-UHFFFAOYSA-N 1 1 340.423 2.624 50 0 EFAAMO O=C(CC[N@H+]1CCC[C@H](OCc2cccnc2)C1)Nc1nccs1 ZINC000065430965 472941818 /nfs/dbraw/zinc/94/18/18/472941818.db2.gz XHMRNTIGXPYREL-HNNXBMFYSA-N 1 1 346.456 2.548 50 0 EFAAMO CC(C)(C)c1csc(CNc2nc(N3CCC[C@@H](O)C3)cc[nH+]2)n1 ZINC000065454539 472946046 /nfs/dbraw/zinc/94/60/46/472946046.db2.gz IJOBIHVQCFANLF-GFCCVEGCSA-N 1 1 347.488 2.804 50 0 EFAAMO Cc1cccc([C@@H](C(=O)NCc2cnc3c(C)cccn23)[NH+](C)C)c1 ZINC000065490250 472954120 /nfs/dbraw/zinc/95/41/20/472954120.db2.gz MYSQQUAJUJNSPU-SFHVURJKSA-N 1 1 336.439 2.870 50 0 EFAAMO CCc1ccccc1OCC[N@H+]1CCCN(c2ncccn2)CC1 ZINC000065491769 472955309 /nfs/dbraw/zinc/95/53/09/472955309.db2.gz MSSQBWCKIPFWKD-UHFFFAOYSA-N 1 1 326.444 2.630 50 0 EFAAMO CCN(CC)Cc1cc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c(C)o1 ZINC000065495746 472956553 /nfs/dbraw/zinc/95/65/53/472956553.db2.gz PFJWEFMYSFGWKJ-UHFFFAOYSA-N 1 1 347.503 2.988 50 0 EFAAMO C[C@@H]([NH2+]CC(=O)NCCc1ccc(F)cc1)c1cn2ccsc2n1 ZINC000065497460 472957143 /nfs/dbraw/zinc/95/71/43/472957143.db2.gz UDTYDHFVOSNKDI-GFCCVEGCSA-N 1 1 346.431 2.544 50 0 EFAAMO COc1ccc(OC)c([C@H]2CC[N@H+](C3CCN(C(C)=O)CC3)C2)c1 ZINC000065504284 472958960 /nfs/dbraw/zinc/95/89/60/472958960.db2.gz IPWMBAHNFYUDNV-HNNXBMFYSA-N 1 1 332.444 2.504 50 0 EFAAMO Cc1ncsc1CCCNc1nc(C)nc2c1CC[N@@H+](C)CC2 ZINC000065508130 472960044 /nfs/dbraw/zinc/96/00/44/472960044.db2.gz VKCLPJUEZSYHOY-UHFFFAOYSA-N 1 1 331.489 2.625 50 0 EFAAMO Cc1ccccc1[C@@]1(O)CC[N@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000065526348 472966841 /nfs/dbraw/zinc/96/68/41/472966841.db2.gz CBKBYENAWMDUEF-GOSISDBHSA-N 1 1 325.368 2.732 50 0 EFAAMO Cc1ccccc1[C@@]1(O)CC[N@@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000065526348 472966844 /nfs/dbraw/zinc/96/68/44/472966844.db2.gz CBKBYENAWMDUEF-GOSISDBHSA-N 1 1 325.368 2.732 50 0 EFAAMO CC(C)C[N@H+]1CCCC[C@@H]1Cc1nc2c([nH]1)C(=O)NCC(C)(C)C2 ZINC000065528014 472967203 /nfs/dbraw/zinc/96/72/03/472967203.db2.gz NQWNOMUCGAPBOJ-CQSZACIVSA-N 1 1 332.492 2.775 50 0 EFAAMO O=C([C@@H]1CCOC1)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000065623800 472994982 /nfs/dbraw/zinc/99/49/82/472994982.db2.gz IMIFBYPLOVBYMS-QYZOEREBSA-N 1 1 328.456 2.679 50 0 EFAAMO Fc1cc(Br)cc(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000093938695 473164128 /nfs/dbraw/zinc/16/41/28/473164128.db2.gz JZJZAPCMFHDAQE-UHFFFAOYSA-N 1 1 330.197 2.927 50 0 EFAAMO COC(C)(C)CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000075313013 473165233 /nfs/dbraw/zinc/16/52/33/473165233.db2.gz XVBOJCZJAKITIT-UHFFFAOYSA-N 1 1 347.503 2.762 50 0 EFAAMO COc1cccc(-c2n[nH]cc2-c2nc(C[NH+]3CCCC3)no2)c1 ZINC000095362606 473190676 /nfs/dbraw/zinc/19/06/76/473190676.db2.gz IGVKCMVMNSNXFQ-UHFFFAOYSA-N 1 1 325.372 2.731 50 0 EFAAMO CC(C)n1ccnc1[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000095372004 473192593 /nfs/dbraw/zinc/19/25/93/473192593.db2.gz MEYXIZDUQFYKDY-KRWDZBQOSA-N 1 1 326.444 2.943 50 0 EFAAMO Cc1nn(CCCNC(=O)[C@H]2CCCCC[N@@H+]2C)c(C)c1Cl ZINC000095370916 473192826 /nfs/dbraw/zinc/19/28/26/473192826.db2.gz BQQWIPPFHJKPJO-CQSZACIVSA-N 1 1 326.872 2.534 50 0 EFAAMO CCc1nccn1CCNC(=O)CC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000095379500 473192914 /nfs/dbraw/zinc/19/29/14/473192914.db2.gz NXEDMFNJRYVORW-DLBZAZTESA-N 1 1 332.492 2.606 50 0 EFAAMO CCc1cccc(OC2CN(C(=O)CCCn3cc[nH+]c3C)C2)c1 ZINC000095382305 473193129 /nfs/dbraw/zinc/19/31/29/473193129.db2.gz YTGKRTDEZACAEX-UHFFFAOYSA-N 1 1 327.428 2.824 50 0 EFAAMO Cc1cc(C(F)(F)F)nc(CNC(=O)CC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000095378903 473193146 /nfs/dbraw/zinc/19/31/46/473193146.db2.gz ZMAMDDMYKUPAKI-LBPRGKRZSA-N 1 1 344.381 2.542 50 0 EFAAMO CC(C)[N@H+]1CCC[C@@H](C(=O)N2CCCN(c3ccc(F)cc3)CC2)C1 ZINC000095381884 473193223 /nfs/dbraw/zinc/19/32/23/473193223.db2.gz JMUCOBRJJUBQGL-QGZVFWFLSA-N 1 1 347.478 2.985 50 0 EFAAMO Cc1[nH+]ccn1CCCC(=O)N1CC(Oc2ccccc2Cl)C1 ZINC000095377194 473193313 /nfs/dbraw/zinc/19/33/13/473193313.db2.gz FDCLRPPPDQBLND-UHFFFAOYSA-N 1 1 333.819 2.915 50 0 EFAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1csc(N2CCCC2)n1 ZINC000095375354 473193375 /nfs/dbraw/zinc/19/33/75/473193375.db2.gz NGFSQSPFGDBOEY-HNNXBMFYSA-N 1 1 336.505 2.624 50 0 EFAAMO CCn1nc(C)c(CNC(=O)[C@@H](c2cccc(C)c2)[NH+](C)C)c1C ZINC000095381845 473193491 /nfs/dbraw/zinc/19/34/91/473193491.db2.gz UIIRREIUPKMMJX-GOSISDBHSA-N 1 1 328.460 2.747 50 0 EFAAMO Cc1noc(C)c1CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095374089 473193638 /nfs/dbraw/zinc/19/36/38/473193638.db2.gz JLOAHKKXPAGEFH-MRXNPFEDSA-N 1 1 345.443 2.845 50 0 EFAAMO Cc1noc(C)c1CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095374090 473193658 /nfs/dbraw/zinc/19/36/58/473193658.db2.gz JLOAHKKXPAGEFH-INIZCTEOSA-N 1 1 345.443 2.845 50 0 EFAAMO Cc1nc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccco3)C2)sc1C ZINC000095379421 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CC(C)CC[N@H+]1CCN(Cc2cccc(F)c2F)C[C@@H]1CCO ZINC000020910292 212186752 /nfs/dbraw/zinc/18/67/52/212186752.db2.gz WDPLJADGBZSYCY-INIZCTEOSA-N 1 1 326.431 2.880 50 0 EFAAMO COCc1ccc(CN2CCC[C@H]([N@@H+](C)CCc3ccccn3)C2)o1 ZINC000020908821 212185715 /nfs/dbraw/zinc/18/57/15/212185715.db2.gz UCIBBXYOWYQOIB-SFHVURJKSA-N 1 1 343.471 2.960 50 0 EFAAMO CC(=O)Nc1cccc(NC(=O)CC[N@@H+](C)CC[C@@H]2CCCCO2)c1 ZINC000243893434 243029448 /nfs/dbraw/zinc/02/94/48/243029448.db2.gz ARCQHGNHCPKAJN-SFHVURJKSA-N 1 1 347.459 2.865 50 0 EFAAMO CC(=O)Nc1cccc(NC(=O)CC[N@@H+](C)CC[C@H]2CCCCO2)c1 ZINC000243893431 243030587 /nfs/dbraw/zinc/03/05/87/243030587.db2.gz ARCQHGNHCPKAJN-GOSISDBHSA-N 1 1 347.459 2.865 50 0 EFAAMO CC(C)n1cccc1C(=O)N[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000244601792 243041865 /nfs/dbraw/zinc/04/18/65/243041865.db2.gz DRVPFAVQNIUGAS-QGZVFWFLSA-N 1 1 326.444 2.858 50 0 EFAAMO CC(C)n1cccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000244601792 243041871 /nfs/dbraw/zinc/04/18/71/243041871.db2.gz DRVPFAVQNIUGAS-QGZVFWFLSA-N 1 1 326.444 2.858 50 0 EFAAMO CC[N@@H+](Cc1nnc(-c2ccco2)o1)C[C@@H](O)c1cccc(O)c1 ZINC000244595021 243042495 /nfs/dbraw/zinc/04/24/95/243042495.db2.gz DNBAQAXKCMHFIW-CQSZACIVSA-N 1 1 329.356 2.591 50 0 EFAAMO CC[N@H+](Cc1nnc(-c2ccco2)o1)C[C@@H](O)c1cccc(O)c1 ZINC000244595021 243042501 /nfs/dbraw/zinc/04/25/01/243042501.db2.gz DNBAQAXKCMHFIW-CQSZACIVSA-N 1 1 329.356 2.591 50 0 EFAAMO O=C(CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1)NCc1cccs1 ZINC000244564060 243042535 /nfs/dbraw/zinc/04/25/35/243042535.db2.gz CLVHBAPVIOBJDD-QGZVFWFLSA-N 1 1 348.443 2.967 50 0 EFAAMO O=C(CC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1)NCc1cccs1 ZINC000244564060 243042540 /nfs/dbraw/zinc/04/25/40/243042540.db2.gz CLVHBAPVIOBJDD-QGZVFWFLSA-N 1 1 348.443 2.967 50 0 EFAAMO CCc1[nH+]ccn1CC(=O)N1CCC[C@@H]1c1nc2c(cccc2C)[nH]1 ZINC000244659623 243051760 /nfs/dbraw/zinc/05/17/60/243051760.db2.gz HGANFSGFCPUJHB-OAHLLOKOSA-N 1 1 337.427 2.994 50 0 EFAAMO CCOc1cccc(OCC[N@H+]2CCCN(C(=O)C3CCC3)CC2)c1 ZINC000244700931 243059737 /nfs/dbraw/zinc/05/97/37/243059737.db2.gz JWRQEGRZALPNKG-UHFFFAOYSA-N 1 1 346.471 2.799 50 0 EFAAMO Cc1nc(N)sc1C(=O)NC[C@@H](c1ccccc1F)[NH+]1CCCC1 ZINC000244787858 243082623 /nfs/dbraw/zinc/08/26/23/243082623.db2.gz QEXYLYFREMFZAV-AWEZNQCLSA-N 1 1 348.447 2.740 50 0 EFAAMO COc1cc(CN2CC[N@@H+](CCC(C)C)[C@@H](CCO)C2)ccc1F ZINC000020780203 212171418 /nfs/dbraw/zinc/17/14/18/212171418.db2.gz TZIKDJSMOFUICX-KRWDZBQOSA-N 1 1 338.467 2.749 50 0 EFAAMO c1cnn(CC[C@H]2CCCC[N@H+]2Cc2nc(-c3ccncc3)no2)c1 ZINC000244817034 243085960 /nfs/dbraw/zinc/08/59/60/243085960.db2.gz STGCPZOFXDANTH-MRXNPFEDSA-N 1 1 338.415 2.773 50 0 EFAAMO Cc1nc(CC[N@H+]2CCc3sc(C(=O)N(C)C)cc3C2)cs1 ZINC000244811759 243086360 /nfs/dbraw/zinc/08/63/60/243086360.db2.gz SKQDITROOMECTF-UHFFFAOYSA-N 1 1 335.498 2.816 50 0 EFAAMO Cc1nc(CC[N@@H+]2CCc3sc(C(=O)N(C)C)cc3C2)cs1 ZINC000244811759 243086363 /nfs/dbraw/zinc/08/63/63/243086363.db2.gz SKQDITROOMECTF-UHFFFAOYSA-N 1 1 335.498 2.816 50 0 EFAAMO CC(C)n1cc[nH+]c1C1CCN([C@H](C)C(=O)Nc2nncs2)CC1 ZINC000244828615 243089620 /nfs/dbraw/zinc/08/96/20/243089620.db2.gz TZJQLXUQUFFWSK-GFCCVEGCSA-N 1 1 348.476 2.522 50 0 EFAAMO CSc1ccc(C[N@@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)cc1 ZINC000020773998 212169430 /nfs/dbraw/zinc/16/94/30/212169430.db2.gz ZWWWZBQYYFRTGK-MRXNPFEDSA-N 1 1 344.484 2.910 50 0 EFAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](C)CC4OCCO4)[C@H]3C=C12 ZINC000020609765 212154683 /nfs/dbraw/zinc/15/46/83/212154683.db2.gz QITIRYHLULOZRG-CFGWQNJFSA-N 1 1 349.471 2.605 50 0 biogenic EFAAMO O=C(CCSc1ccc(Cl)cc1)NCCC[NH+]1CCOCC1 ZINC000020513254 212142420 /nfs/dbraw/zinc/14/24/20/212142420.db2.gz ZTDCEBCFMJCPOE-UHFFFAOYSA-N 1 1 342.892 2.661 50 0 EFAAMO OCC[C@H]1C[N@H+](Cc2ccc(O)cc2)CCN1Cc1ccccc1F ZINC000020452123 212130731 /nfs/dbraw/zinc/13/07/31/212130731.db2.gz JPHGAGROYYVGLI-SFHVURJKSA-N 1 1 344.430 2.600 50 0 EFAAMO OCC[C@H]1C[N@@H+](Cc2ccc(O)cc2)CCN1Cc1ccccc1F ZINC000020452123 212130733 /nfs/dbraw/zinc/13/07/33/212130733.db2.gz JPHGAGROYYVGLI-SFHVURJKSA-N 1 1 344.430 2.600 50 0 EFAAMO OCC[C@H]1C[N@H+](Cc2ccco2)CCN1Cc1ccc(F)c(F)c1 ZINC000020450453 212129935 /nfs/dbraw/zinc/12/99/35/212129935.db2.gz VKGVOWXKNZHEFV-HNNXBMFYSA-N 1 1 336.382 2.627 50 0 EFAAMO OCC[C@H]1C[N@@H+](Cc2ccco2)CCN1Cc1ccc(F)c(F)c1 ZINC000020450453 212129938 /nfs/dbraw/zinc/12/99/38/212129938.db2.gz VKGVOWXKNZHEFV-HNNXBMFYSA-N 1 1 336.382 2.627 50 0 EFAAMO C[N@H+]1CCN(Cc2cccc(Oc3ccccc3)c2)C[C@@H]1CCO ZINC000020449285 212129853 /nfs/dbraw/zinc/12/98/53/212129853.db2.gz QHQUVBBQQAHIMH-SFHVURJKSA-N 1 1 326.440 2.977 50 0 EFAAMO CC(C)C[N@H+]1CCN(Cc2c(F)ccc(F)c2F)C[C@@H]1CCO ZINC000020206770 212112393 /nfs/dbraw/zinc/11/23/93/212112393.db2.gz IGZZJLHJEGNRRM-ZDUSSCGKSA-N 1 1 330.394 2.629 50 0 EFAAMO OCC[C@@H]1CN(C/C=C/c2ccco2)CC[N@@H+]1Cc1ccsc1 ZINC000020206575 212112253 /nfs/dbraw/zinc/11/22/53/212112253.db2.gz MQMBOGPTZLZNCY-XKKXFUJGSA-N 1 1 332.469 2.923 50 0 EFAAMO OCC[C@@H]1CN(C/C=C/c2ccco2)CC[N@H+]1Cc1ccsc1 ZINC000020206575 212112255 /nfs/dbraw/zinc/11/22/55/212112255.db2.gz MQMBOGPTZLZNCY-XKKXFUJGSA-N 1 1 332.469 2.923 50 0 EFAAMO C[NH+]1CCC(N[C@@H]2CC(=O)N(Cc3cccc4ccccc43)C2)CC1 ZINC000020206679 212112049 /nfs/dbraw/zinc/11/20/49/212112049.db2.gz RUWYMIZOHLURKZ-LJQANCHMSA-N 1 1 337.467 2.625 50 0 EFAAMO Nc1ncccc1C[N@H+]1CCC[C@@H](Cn2cc(-c3ccccc3)nn2)C1 ZINC000020149549 212106627 /nfs/dbraw/zinc/10/66/27/212106627.db2.gz MNFPUWYLTAAEGU-MRXNPFEDSA-N 1 1 348.454 2.835 50 0 EFAAMO C[NH+]1CCN(C2CCN(C(=O)c3cccc4ccccc43)CC2)CC1 ZINC000020130053 212104230 /nfs/dbraw/zinc/10/42/30/212104230.db2.gz RBRZAPPUTHPOSB-UHFFFAOYSA-N 1 1 337.467 2.692 50 0 EFAAMO CC(=O)Nc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020123705 212103858 /nfs/dbraw/zinc/10/38/58/212103858.db2.gz PNLFAEMPMZXHHR-UHFFFAOYSA-N 1 1 337.423 2.603 50 0 EFAAMO N=c1c2c(ncn1CCC[NH+]1CCOCC1)sc1c2CCCCC1 ZINC000020029268 212094909 /nfs/dbraw/zinc/09/49/09/212094909.db2.gz VJRJXXGWUBQDRN-UHFFFAOYSA-N 1 1 346.500 2.568 50 0 EFAAMO Cc1cccc(OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000019902174 212081167 /nfs/dbraw/zinc/08/11/67/212081167.db2.gz ZXKFMHGMBPCGIZ-UHFFFAOYSA-N 1 1 346.471 2.525 50 0 EFAAMO CCOc1cc(CNCC[NH+](C)C)cc(Br)c1OCC ZINC000019872023 212077364 /nfs/dbraw/zinc/07/73/64/212077364.db2.gz IKFUJGQANBWGPM-UHFFFAOYSA-N 1 1 345.281 2.898 50 0 EFAAMO CCn1c2ccccc2c2cc(C[NH2+]CCNC[C@H](C)O)ccc21 ZINC000019872280 212077696 /nfs/dbraw/zinc/07/76/96/212077696.db2.gz OCJURGOCJPGPAO-HNNXBMFYSA-N 1 1 325.456 2.874 50 0 EFAAMO CCOc1ccc2[nH]c(C)c(CN3CC[NH+](CC)CC3)c(=O)c2c1 ZINC000019791990 212067911 /nfs/dbraw/zinc/06/79/11/212067911.db2.gz HJHREIVXNSLCQG-UHFFFAOYSA-N 1 1 329.444 2.785 50 0 EFAAMO OCC[C@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000019641039 212052499 /nfs/dbraw/zinc/05/24/99/212052499.db2.gz QYGCDGCMPMNRFW-FQEVSTJZSA-N 1 1 328.431 2.895 50 0 EFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2n1CCOC ZINC000079338010 217210998 /nfs/dbraw/zinc/21/09/98/217210998.db2.gz HRPFDKPRRRUZGE-MRXNPFEDSA-N 1 1 329.444 2.502 50 0 EFAAMO Cc1c(C(=O)N2CCCC[C@H]([NH3+])C2)n[nH]c1-c1ccc(Cl)cc1 ZINC000082097709 217464912 /nfs/dbraw/zinc/46/49/12/217464912.db2.gz BNOWDXFINVQITA-AWEZNQCLSA-N 1 1 332.835 2.992 50 0 EFAAMO CCc1[nH+]ccn1CCNC(=O)c1cccc(-c2ncc(CC)cn2)c1 ZINC000426407535 247277199 /nfs/dbraw/zinc/27/71/99/247277199.db2.gz LRYHZHFWRIASAZ-UHFFFAOYSA-N 1 1 349.438 2.895 50 0 EFAAMO CO[C@]12CC[N@@H+](Cc3nc(C)c(C)n3C)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426562993 247291494 /nfs/dbraw/zinc/29/14/94/247291494.db2.gz MQYYLSHKYMJTGB-WSTZPKSXSA-N 1 1 347.503 2.976 50 0 EFAAMO Cc1[nH]c2ccccc2c1CCNC(=O)N(C)CCn1cc[nH+]c1C ZINC000426563279 247292464 /nfs/dbraw/zinc/29/24/64/247292464.db2.gz LGAXCOIKNLSRKD-UHFFFAOYSA-N 1 1 339.443 2.865 50 0 EFAAMO COc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)cc1 ZINC000012476553 211392537 /nfs/dbraw/zinc/39/25/37/211392537.db2.gz CHOGDYFZGQUIEO-FQEVSTJZSA-N 1 1 328.456 2.920 50 0 EFAAMO CCc1ocnc1C(=O)N[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012475690 211392474 /nfs/dbraw/zinc/39/24/74/211392474.db2.gz QJPPMCFFFZNVKH-INIZCTEOSA-N 1 1 327.428 2.674 50 0 EFAAMO Cc1oc(-c2ccc3ccccc3c2)nc1C[NH+](CCO)CCO ZINC000012458946 211388048 /nfs/dbraw/zinc/38/80/48/211388048.db2.gz AEXVEYJACWLISL-UHFFFAOYSA-N 1 1 326.396 2.590 50 0 EFAAMO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000012438950 211381997 /nfs/dbraw/zinc/38/19/97/211381997.db2.gz OHCVGDQGSFNPCJ-INIZCTEOSA-N 1 1 328.416 2.663 50 0 EFAAMO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000012438950 211382000 /nfs/dbraw/zinc/38/20/00/211382000.db2.gz OHCVGDQGSFNPCJ-INIZCTEOSA-N 1 1 328.416 2.663 50 0 EFAAMO O[C@@H](Cn1c2c(c3cccc(Cl)c31)CCCC2)C[NH+]1CCOCC1 ZINC000012421961 211376361 /nfs/dbraw/zinc/37/63/61/211376361.db2.gz HUZQZAFHKXJZBL-CQSZACIVSA-N 1 1 348.874 2.867 50 0 EFAAMO CCNC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000012387029 211364430 /nfs/dbraw/zinc/36/44/30/211364430.db2.gz ICFUQGWFYIKFOG-QGZVFWFLSA-N 1 1 333.476 2.611 50 0 EFAAMO Cc1ccc2nc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cn2c1 ZINC000012296885 211334900 /nfs/dbraw/zinc/33/49/00/211334900.db2.gz OFZKZJPIEJKBCO-DOTOQJQBSA-N 1 1 326.444 2.637 50 0 biogenic EFAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2CCCC2)nc1 ZINC000012300833 211337081 /nfs/dbraw/zinc/33/70/81/211337081.db2.gz GYGDPJXRDMJBJQ-UHFFFAOYSA-N 1 1 341.459 2.822 50 0 EFAAMO CCOC(=O)[C@]1(CCOC)CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000012206744 211319984 /nfs/dbraw/zinc/31/99/84/211319984.db2.gz ZBEOIYWEIPIGHG-FQEVSTJZSA-N 1 1 347.455 2.803 50 0 EFAAMO CCc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(OC)c3)C2)on1 ZINC000012054784 211285017 /nfs/dbraw/zinc/28/50/17/211285017.db2.gz PNBIUEAMJOZECZ-MRXNPFEDSA-N 1 1 343.427 2.640 50 0 EFAAMO CCc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(OC)c3)C2)on1 ZINC000012054784 211285021 /nfs/dbraw/zinc/28/50/21/211285021.db2.gz PNBIUEAMJOZECZ-MRXNPFEDSA-N 1 1 343.427 2.640 50 0 EFAAMO CN(C)c1ccc(C[N@H+]2CC[C@@H](Cc3ccc(CO)cc3)C2)cn1 ZINC000091493516 218014573 /nfs/dbraw/zinc/01/45/73/218014573.db2.gz DDZBAYWZYGXVFH-SFHVURJKSA-N 1 1 325.456 2.705 50 0 EFAAMO COCC[N@@H+]1CC[C@H](CNc2cc(C)nc(-c3ccccc3O)n2)C1 ZINC000091505166 218014896 /nfs/dbraw/zinc/01/48/96/218014896.db2.gz IRFJTCZHTFKXDH-OAHLLOKOSA-N 1 1 342.443 2.538 50 0 EFAAMO COCC[N@H+]1CC[C@H](CNc2cc(C)nc(-c3ccccc3O)n2)C1 ZINC000091505166 218014898 /nfs/dbraw/zinc/01/48/98/218014898.db2.gz IRFJTCZHTFKXDH-OAHLLOKOSA-N 1 1 342.443 2.538 50 0 EFAAMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CCc2cnccn2)C1 ZINC000012001557 211278331 /nfs/dbraw/zinc/27/83/31/211278331.db2.gz OYNKTBNTKSKQNX-IBGZPJMESA-N 1 1 338.455 2.532 50 0 EFAAMO COCC[C@]1(O)CC[N@@H+](CCOc2ccc(Cl)cc2)C[C@H]1C ZINC000091381391 218000293 /nfs/dbraw/zinc/00/02/93/218000293.db2.gz FZMXQYOZOKHBKT-RHSMWYFYSA-N 1 1 327.852 2.828 50 0 EFAAMO O=C(NC1CC1)[C@@H]1CCCN(C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000011951773 211274811 /nfs/dbraw/zinc/27/48/11/211274811.db2.gz OQZOEXRWOKWOSR-MRXNPFEDSA-N 1 1 333.520 2.774 50 0 EFAAMO CCc1[nH+]ccn1CCCNC(=O)c1cccc(Cn2cccn2)c1 ZINC000091416843 218002843 /nfs/dbraw/zinc/00/28/43/218002843.db2.gz PIELDMOPDDUECT-UHFFFAOYSA-N 1 1 337.427 2.510 50 0 EFAAMO O=C(c1n[nH]c2ccccc21)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000011936441 211271452 /nfs/dbraw/zinc/27/14/52/211271452.db2.gz SFSSTOIPJYAXES-HXUWFJFHSA-N 1 1 338.455 2.901 50 0 EFAAMO O=C(c1[nH]nc2ccccc21)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000011936441 211271456 /nfs/dbraw/zinc/27/14/56/211271456.db2.gz SFSSTOIPJYAXES-HXUWFJFHSA-N 1 1 338.455 2.901 50 0 EFAAMO O=C(c1[nH]nc2ccccc21)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000011936441 211271457 /nfs/dbraw/zinc/27/14/57/211271457.db2.gz SFSSTOIPJYAXES-HXUWFJFHSA-N 1 1 338.455 2.901 50 0 EFAAMO Cc1c[nH]c(C[N@H+]2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)n1 ZINC000091441553 218006352 /nfs/dbraw/zinc/00/63/52/218006352.db2.gz UQRQBAKAQWFARC-LJQANCHMSA-N 1 1 330.476 2.865 50 0 EFAAMO CC(C)c1nnsc1C[N@H+]1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000091452653 218009094 /nfs/dbraw/zinc/00/90/94/218009094.db2.gz HSSOUQYTVVRCHH-DYVFJYSZSA-N 1 1 339.505 2.661 50 0 EFAAMO CN(C)C(=O)N1C[C@H]2CC[C@H](C[N@@H+]2CCCOc2ccc(F)cc2)C1 ZINC000091459243 218010064 /nfs/dbraw/zinc/01/00/64/218010064.db2.gz RJXUKKSHSKLRHX-NVXWUHKLSA-N 1 1 349.450 2.672 50 0 EFAAMO Cn1cc(CCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC(C)(C)C)C3)cn1 ZINC000011880059 211264954 /nfs/dbraw/zinc/26/49/54/211264954.db2.gz QMRJGZZWWNHCKV-FQEVSTJZSA-N 1 1 346.519 2.713 50 0 EFAAMO Cn1cc(CCC(=O)N2CC[C@]3(C2)CCC[N@@H+](CC(C)(C)C)C3)cn1 ZINC000011880058 211264905 /nfs/dbraw/zinc/26/49/05/211264905.db2.gz QMRJGZZWWNHCKV-HXUWFJFHSA-N 1 1 346.519 2.713 50 0 EFAAMO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)cc1O ZINC000091504166 218014078 /nfs/dbraw/zinc/01/40/78/218014078.db2.gz KDFFKBZMLAXQRL-DLBZAZTESA-N 1 1 344.455 2.624 50 0 EFAAMO Cc1cc(C)n(CCCNC(=O)[C@@H](c2ccccc2C)[NH+](C)C)n1 ZINC000091624640 218033331 /nfs/dbraw/zinc/03/33/31/218033331.db2.gz IZRXBDSWUWXRIR-GOSISDBHSA-N 1 1 328.460 2.618 50 0 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C[C@@H](C(=O)NCc1nc2ccc(F)cc2[nH]1)[N@@H+](C)C1CCCCC1 ZINC000299763358 278209185 /nfs/dbraw/zinc/20/91/85/278209185.db2.gz ZQKHCOIDDAXULZ-LBPRGKRZSA-N 1 1 332.423 2.971 50 0 EFAAMO Cc1n[nH]c(C)c1C[N@H+]1CC[C@@]2(C1)CCCN(C1CCCC1)C2=O ZINC000091830519 279054651 /nfs/dbraw/zinc/05/46/51/279054651.db2.gz STIAOOZQBQASGK-LJQANCHMSA-N 1 1 330.476 2.784 50 0 EFAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CN1CCCCC1 ZINC000004046552 281099079 /nfs/dbraw/zinc/09/90/79/281099079.db2.gz WZCDPAZKCMKDCJ-HKUYNNGSSA-N 1 1 327.472 2.615 50 0 biogenic EFAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CN1CCCCC1 ZINC000004046552 281099080 /nfs/dbraw/zinc/09/90/80/281099080.db2.gz WZCDPAZKCMKDCJ-HKUYNNGSSA-N 1 1 327.472 2.615 50 0 biogenic EFAAMO Cc1cccc(C)c1NC(=O)N[C@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000072132053 281208705 /nfs/dbraw/zinc/20/87/05/281208705.db2.gz ZBSOQJRBOUMJQQ-KRWDZBQOSA-N 1 1 344.503 2.984 50 0 EFAAMO Cc1cccc(C)c1NC(=O)N[C@H]1CCCN(C2CC[NH+](C)CC2)C1 ZINC000072132053 281208707 /nfs/dbraw/zinc/20/87/07/281208707.db2.gz ZBSOQJRBOUMJQQ-KRWDZBQOSA-N 1 1 344.503 2.984 50 0 EFAAMO Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000020762382 295360187 /nfs/dbraw/zinc/36/01/87/295360187.db2.gz WETNHZVOLPIATI-QAPCUYQASA-N 1 1 339.487 2.699 50 0 biogenic EFAAMO Cc1cc(C)nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1 ZINC000302782226 311200986 /nfs/dbraw/zinc/20/09/86/311200986.db2.gz KDSAPFYHSGRYOV-GOSISDBHSA-N 1 1 326.444 2.796 50 0 EFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(ccn2CCOC)c1 ZINC000095480763 473212568 /nfs/dbraw/zinc/21/25/68/473212568.db2.gz VANFDDMCCZZQKT-QGZVFWFLSA-N 1 1 329.444 2.502 50 0 EFAAMO OCc1ccnc(N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)c1 ZINC000095496772 473213939 /nfs/dbraw/zinc/21/39/39/473213939.db2.gz UDGQCDRDUDFFAF-UHFFFAOYSA-N 1 1 349.438 2.598 50 0 EFAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCc1cc(-c2ccccc2F)no1 ZINC000095501151 473214459 /nfs/dbraw/zinc/21/44/59/473214459.db2.gz QMDGNHLWPCZQBZ-QGZVFWFLSA-N 1 1 331.391 2.971 50 0 EFAAMO CN(CCCc1[nH+]ccn1C)c1ncnc2c1Cc1ccccc1OC2 ZINC000095501798 473214641 /nfs/dbraw/zinc/21/46/41/473214641.db2.gz DRYAMCGUOPGPLM-UHFFFAOYSA-N 1 1 349.438 2.762 50 0 EFAAMO Cc1[nH+]ccn1CC1(CNC(=O)[C@H](C)n2ccnc2C(C)C)CC1 ZINC000095518216 473218914 /nfs/dbraw/zinc/21/89/14/473218914.db2.gz KQPVQAAYMHPVQI-AWEZNQCLSA-N 1 1 329.448 2.669 50 0 EFAAMO CC(C)[N@H+]1CCC[C@@H](C(=O)NCCc2noc(C3CCCC3)n2)C1 ZINC000095522829 473220142 /nfs/dbraw/zinc/22/01/42/473220142.db2.gz ZJMJOXJVFMOZFI-OAHLLOKOSA-N 1 1 334.464 2.506 50 0 EFAAMO CCCOC[C@@H]1CC[N@H+](C2CCN(c3nc(C)cc(C)n3)CC2)C1 ZINC000095524897 473220537 /nfs/dbraw/zinc/22/05/37/473220537.db2.gz FYEHERRFFNJONJ-QGZVFWFLSA-N 1 1 332.492 2.811 50 0 EFAAMO COCCCC[NH+]1CCN(C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095528316 473220941 /nfs/dbraw/zinc/22/09/41/473220941.db2.gz HYSVWEJZWHCSKM-SFHVURJKSA-N 1 1 332.488 2.672 50 0 EFAAMO Cc1c[nH]c(C(=O)N(CCc2ccccc2)C[C@@H]2CCC[N@H+](C)C2)n1 ZINC000095529775 473221405 /nfs/dbraw/zinc/22/14/05/473221405.db2.gz IWIKEWNTMMJVJG-GOSISDBHSA-N 1 1 340.471 2.745 50 0 EFAAMO Cc1[nH+]ccn1CC1CCN(C(=O)[C@@H]2COc3ccccc3C2)CC1 ZINC000095530583 473221978 /nfs/dbraw/zinc/22/19/78/473221978.db2.gz PMTMYWVICAZABW-SFHVURJKSA-N 1 1 339.439 2.681 50 0 EFAAMO C[C@H](O)c1cccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000095530452 473222803 /nfs/dbraw/zinc/22/28/03/473222803.db2.gz CCIPODQLAQRISF-HNNXBMFYSA-N 1 1 329.419 2.986 50 0 EFAAMO COc1cc(C[NH+]2CC(c3nc(-c4ccco4)no3)C2)cc(OC)c1 ZINC000096024295 473257385 /nfs/dbraw/zinc/25/73/85/473257385.db2.gz KBRBXOVLDPEWCG-UHFFFAOYSA-N 1 1 341.367 2.946 50 0 EFAAMO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000184892237 473265272 /nfs/dbraw/zinc/26/52/72/473265272.db2.gz ATXLASYOFMAYQQ-SFHVURJKSA-N 1 1 345.487 2.554 50 0 EFAAMO Cc1c(C(=O)N2CCCC[C@@H]([NH3+])C2)n[nH]c1-c1ccc(Cl)cc1 ZINC000082097710 473287164 /nfs/dbraw/zinc/28/71/64/473287164.db2.gz BNOWDXFINVQITA-CQSZACIVSA-N 1 1 332.835 2.992 50 0 EFAAMO Cc1[nH+]ccn1C[C@H]1CCCN(c2ccc(Cn3ccnc3)cn2)C1 ZINC000082098922 473288570 /nfs/dbraw/zinc/28/85/70/473288570.db2.gz KIWVMEYDHUAQDW-GOSISDBHSA-N 1 1 336.443 2.748 50 0 EFAAMO Cc1cccc(C)c1C[N@H+]1CCC[C@@]2(CCC(=O)N(CCCO)C2)C1 ZINC000082107225 473289086 /nfs/dbraw/zinc/28/90/86/473289086.db2.gz PFJHCKBGHVHFAG-OAQYLSRUSA-N 1 1 344.499 2.890 50 0 EFAAMO O=C([C@H]1CCc2ccccc21)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000082106998 473289525 /nfs/dbraw/zinc/28/95/25/473289525.db2.gz ZTSGIUMTBNHETE-FQEVSTJZSA-N 1 1 335.451 2.846 50 0 EFAAMO O=C([C@H]1CCc2ccccc21)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000082106998 473289528 /nfs/dbraw/zinc/28/95/28/473289528.db2.gz ZTSGIUMTBNHETE-FQEVSTJZSA-N 1 1 335.451 2.846 50 0 EFAAMO COc1ccc(C(=O)N2CCC[C@H](Cn3cc[nH+]c3C)C2)cc1F ZINC000082108807 473290305 /nfs/dbraw/zinc/29/03/05/473290305.db2.gz CWHGJMJUGNKMPW-CQSZACIVSA-N 1 1 331.391 2.892 50 0 EFAAMO Cc1ccc2nc(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)[nH]c2c1C ZINC000082109705 473290328 /nfs/dbraw/zinc/29/03/28/473290328.db2.gz LWJSOUVJVPKNEB-OAHLLOKOSA-N 1 1 329.444 2.998 50 0 EFAAMO CCCc1cc(C(=O)N(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)no1 ZINC000082109192 473290525 /nfs/dbraw/zinc/29/05/25/473290525.db2.gz OKJLNDWOKYTUOX-MRXNPFEDSA-N 1 1 327.428 2.756 50 0 EFAAMO CCCc1cc(C(=O)N(C)C[C@H]2Cc3ccccc3C[N@H+]2C)no1 ZINC000082109192 473290530 /nfs/dbraw/zinc/29/05/30/473290530.db2.gz OKJLNDWOKYTUOX-MRXNPFEDSA-N 1 1 327.428 2.756 50 0 EFAAMO CCC[C@H](C(=O)OCC)[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082136728 473294756 /nfs/dbraw/zinc/29/47/56/473294756.db2.gz JPMRPMSFPKYLJX-MRXNPFEDSA-N 1 1 345.443 2.617 50 0 EFAAMO O=C(NCCC[N@@H+]1CCCC[C@H]1CO)Nc1ccc2cccnc2c1 ZINC000096132284 473309030 /nfs/dbraw/zinc/30/90/30/473309030.db2.gz RHYRFFMWXMVOEC-KRWDZBQOSA-N 1 1 342.443 2.593 50 0 EFAAMO O=C(NCCC[N@@H+]1CCCC[C@@H]1CO)Nc1ccc2cccnc2c1 ZINC000096132283 473310175 /nfs/dbraw/zinc/31/01/75/473310175.db2.gz RHYRFFMWXMVOEC-QGZVFWFLSA-N 1 1 342.443 2.593 50 0 EFAAMO C=Cc1ccc(NC(=O)N2CCC3(CC2)C[N@H+](C)CCN3C)cc1 ZINC000096150977 473314904 /nfs/dbraw/zinc/31/49/04/473314904.db2.gz GMMUSWWVQQYBSK-UHFFFAOYSA-N 1 1 328.460 2.573 50 0 EFAAMO C=Cc1ccc(NC(=O)N2CCC3(CC2)CN(C)CC[N@@H+]3C)cc1 ZINC000096150977 473314910 /nfs/dbraw/zinc/31/49/10/473314910.db2.gz GMMUSWWVQQYBSK-UHFFFAOYSA-N 1 1 328.460 2.573 50 0 EFAAMO C=Cc1ccc(NC(=O)N2CCC3(CC2)CN(C)CC[N@H+]3C)cc1 ZINC000096150977 473314918 /nfs/dbraw/zinc/31/49/18/473314918.db2.gz GMMUSWWVQQYBSK-UHFFFAOYSA-N 1 1 328.460 2.573 50 0 EFAAMO COCCOc1cccc(NC(=O)N2CC([N@H+]3CCCC[C@H]3C)C2)c1 ZINC000096165906 473322052 /nfs/dbraw/zinc/32/20/52/473322052.db2.gz WOCJUAHRXJTDID-OAHLLOKOSA-N 1 1 347.459 2.802 50 0 EFAAMO C[N@@H+](CCO)C1CCN(C(=O)NCc2ccc(C(C)(C)C)cc2)CC1 ZINC000162609575 473361921 /nfs/dbraw/zinc/36/19/21/473361921.db2.gz DMAUTOPRUCEMLE-UHFFFAOYSA-N 1 1 347.503 2.582 50 0 EFAAMO CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCC[N@@H+]2CC)c1O ZINC000000001395 471317589 /nfs/dbraw/zinc/31/75/89/471317589.db2.gz AADCDMQTJNYOSS-LBPRGKRZSA-N 1 1 340.851 2.831 50 0 world EFAAMO CCOC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000000176571 471331070 /nfs/dbraw/zinc/33/10/70/471331070.db2.gz WNESZXKWXXPKIR-ZDUSSCGKSA-N 1 1 338.835 2.944 50 0 EFAAMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)cc1OC ZINC000000212857 471335958 /nfs/dbraw/zinc/33/59/58/471335958.db2.gz ZGLRROFWFAWUDX-KRWDZBQOSA-N 1 1 346.471 2.928 50 0 EFAAMO CCOc1cc(C[N@H+]2CCC[C@@H](C(=O)N(CC)CC)C2)ccc1O ZINC000000241763 471338789 /nfs/dbraw/zinc/33/87/89/471338789.db2.gz GZXYHQSQVWGXEB-MRXNPFEDSA-N 1 1 334.460 2.871 50 0 EFAAMO C[C@H]1CCC[N@H+](C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000000316795 471347108 /nfs/dbraw/zinc/34/71/08/471347108.db2.gz NCKBIZMIBDFKBV-AWEZNQCLSA-N 1 1 340.464 2.711 50 0 EFAAMO Cc1ccc(S(=O)(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1 ZINC000000317058 471347548 /nfs/dbraw/zinc/34/75/48/471347548.db2.gz CHKGOSMJOIAZMY-UHFFFAOYSA-N 1 1 336.501 2.880 50 0 EFAAMO COc1cccc(OC)c1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000000608964 471372639 /nfs/dbraw/zinc/37/26/39/471372639.db2.gz VIUMZUDSHKYSCY-QGZVFWFLSA-N 1 1 343.423 2.502 50 0 EFAAMO CCCCc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC)cc1 ZINC000002857447 471424650 /nfs/dbraw/zinc/42/46/50/471424650.db2.gz YWIIJOBLJKINIP-QGZVFWFLSA-N 1 1 331.460 2.568 50 0 EFAAMO CCOC(=O)c1sc(N)c(C(=O)OCC)c1C[NH2+]C(C)(C)C ZINC000003282537 471440652 /nfs/dbraw/zinc/44/06/52/471440652.db2.gz RDKPGRITPXZEDP-UHFFFAOYSA-N 1 1 328.434 2.572 50 0 EFAAMO CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@@H+](C)C1 ZINC000003831001 471455464 /nfs/dbraw/zinc/45/54/64/471455464.db2.gz BKRGVLQUQGGVSM-KBXCAEBGSA-N 1 1 338.455 2.841 50 0 world EFAAMO CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1 ZINC000003831001 471455469 /nfs/dbraw/zinc/45/54/69/471455469.db2.gz BKRGVLQUQGGVSM-KBXCAEBGSA-N 1 1 338.455 2.841 50 0 world EFAAMO O=C(C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)c1c[nH]c2ccccc12 ZINC000006000059 471529059 /nfs/dbraw/zinc/52/90/59/471529059.db2.gz FCBIUSMHBBISDV-LSDHHAIUSA-N 1 1 347.418 2.632 50 0 biogenic EFAAMO O=C(C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)c1c[nH]c2ccccc12 ZINC000006000059 471529067 /nfs/dbraw/zinc/52/90/67/471529067.db2.gz FCBIUSMHBBISDV-LSDHHAIUSA-N 1 1 347.418 2.632 50 0 biogenic EFAAMO C[N@H+]1CCCC[C@H]1CNC(=O)c1coc(COc2ccccc2F)n1 ZINC000012227973 471769531 /nfs/dbraw/zinc/76/95/31/471769531.db2.gz XJNGPUXYTPDIPL-ZDUSSCGKSA-N 1 1 347.390 2.607 50 0 EFAAMO COc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)cc1 ZINC000012476558 471776372 /nfs/dbraw/zinc/77/63/72/471776372.db2.gz CHOGDYFZGQUIEO-HXUWFJFHSA-N 1 1 328.456 2.920 50 0 EFAAMO COCCC(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000012588311 471784156 /nfs/dbraw/zinc/78/41/56/471784156.db2.gz KAWYMCIOWXGHGI-INIZCTEOSA-N 1 1 336.451 2.575 50 0 EFAAMO CN(C[C@H]1CCCC[N@H+]1C)C(=O)c1coc(COc2ccccc2)n1 ZINC000012595742 471784635 /nfs/dbraw/zinc/78/46/35/471784635.db2.gz HWHNOUXNKOICIC-OAHLLOKOSA-N 1 1 343.427 2.810 50 0 EFAAMO CC(C)(C)CN1CCC[C@@]2(CC[N@@H+](Cc3ccc(CO)o3)C2)C1=O ZINC000012713524 471791425 /nfs/dbraw/zinc/79/14/25/471791425.db2.gz SKSSHWUFGXWLPY-IBGZPJMESA-N 1 1 334.460 2.633 50 0 EFAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2c(s1)CCCCCC2 ZINC000013744354 471842384 /nfs/dbraw/zinc/84/23/84/471842384.db2.gz DCWBPOPRIQPIOJ-UHFFFAOYSA-N 1 1 336.501 2.859 50 0 EFAAMO CCCC[N@@H+](C)[C@H]1CCc2c(c(C(=O)N(C)C)nn2CC(C)C)C1 ZINC000014733256 471877733 /nfs/dbraw/zinc/87/77/33/471877733.db2.gz FHJUGWCAEXSXGZ-HNNXBMFYSA-N 1 1 334.508 2.830 50 0 EFAAMO CCCC[N@@H+](C)[C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC(C)C)C1 ZINC000014733255 471877882 /nfs/dbraw/zinc/87/78/82/471877882.db2.gz FHJUGWCAEXSXGZ-OAHLLOKOSA-N 1 1 334.508 2.830 50 0 EFAAMO O=C(CC[C@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CCOCC1 ZINC000014964021 471882901 /nfs/dbraw/zinc/88/29/01/471882901.db2.gz ZCLVGAPMPJWYCJ-LJQANCHMSA-N 1 1 330.472 2.580 50 0 EFAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)cc1C ZINC000015001466 471885466 /nfs/dbraw/zinc/88/54/66/471885466.db2.gz ZLNBVIMGLUOPHK-QGZVFWFLSA-N 1 1 342.443 2.505 50 0 EFAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3c[nH]cn3)C2)cc1 ZINC000015063502 471887469 /nfs/dbraw/zinc/88/74/69/471887469.db2.gz QVMSLMHEKCLSDA-SFHVURJKSA-N 1 1 342.487 2.805 50 0 EFAAMO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3cnc[nH]3)C2)cc1 ZINC000015063502 471887475 /nfs/dbraw/zinc/88/74/75/471887475.db2.gz QVMSLMHEKCLSDA-SFHVURJKSA-N 1 1 342.487 2.805 50 0 EFAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3cnc[nH]3)C2)cc1 ZINC000015063502 471887482 /nfs/dbraw/zinc/88/74/82/471887482.db2.gz QVMSLMHEKCLSDA-SFHVURJKSA-N 1 1 342.487 2.805 50 0 EFAAMO COc1cc(-c2nc(C[N@H+](C)[C@@H]3CCOC3)c(C)o2)cc2c1OCO2 ZINC000015076708 471889009 /nfs/dbraw/zinc/88/90/09/471889009.db2.gz AABLSPJTHBJJAQ-CYBMUJFWSA-N 1 1 346.383 2.608 50 0 EFAAMO COc1cc(-c2nc(C[N@@H+](C)[C@@H]3CCOC3)c(C)o2)cc2c1OCO2 ZINC000015076708 471889013 /nfs/dbraw/zinc/88/90/13/471889013.db2.gz AABLSPJTHBJJAQ-CYBMUJFWSA-N 1 1 346.383 2.608 50 0 EFAAMO O=C([C@H]1COc2ccccc2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015629476 471912286 /nfs/dbraw/zinc/91/22/86/471912286.db2.gz NCPIWYMWMCOJDF-LJQANCHMSA-N 1 1 336.435 2.582 50 0 EFAAMO Cc1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)[NH+](C)C)o1 ZINC000015860354 471920127 /nfs/dbraw/zinc/92/01/27/471920127.db2.gz XVFPQSALTWHAQD-OAHLLOKOSA-N 1 1 340.379 2.727 50 0 EFAAMO O[C@H](COc1ccc(F)cc1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019809648 471985111 /nfs/dbraw/zinc/98/51/11/471985111.db2.gz MMOCKXXDRATQLQ-INIZCTEOSA-N 1 1 348.393 2.527 50 0 EFAAMO COC(=O)c1ccc(-c2nc3ccc(C4=[NH+]CCCN4)cc3[nH]2)cc1 ZINC000033559597 471985769 /nfs/dbraw/zinc/98/57/69/471985769.db2.gz BEJPQXQLCNAPOX-UHFFFAOYSA-N 1 1 334.379 2.756 50 0 EFAAMO Nc1n[nH]c2nc(N3CCCC3)c3c(c12)CC[N@H+](C1CCCCC1)C3 ZINC000020548150 471990786 /nfs/dbraw/zinc/99/07/86/471990786.db2.gz SZVJRQJTHUQKGM-UHFFFAOYSA-N 1 1 340.475 2.831 50 0 EFAAMO Nc1n[nH]c2nc(N3CCCC3)c3c(c12)CC[N@@H+](C1CCCCC1)C3 ZINC000020548150 471990790 /nfs/dbraw/zinc/99/07/90/471990790.db2.gz SZVJRQJTHUQKGM-UHFFFAOYSA-N 1 1 340.475 2.831 50 0 EFAAMO C[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000020539974 471990854 /nfs/dbraw/zinc/99/08/54/471990854.db2.gz CUJBWEPOFJDTJS-MRXNPFEDSA-N 1 1 333.451 2.596 50 0 EFAAMO C[N@H+]1CCC[C@H]1CN1CCCN(c2nc3ccccc3s2)CC1 ZINC000020539199 471991118 /nfs/dbraw/zinc/99/11/18/471991118.db2.gz FOEQCUKFJBMISQ-HNNXBMFYSA-N 1 1 330.501 2.903 50 0 EFAAMO CN1CCC[C@H]1C[N@@H+]1CCCN(c2nc3ccccc3s2)CC1 ZINC000020539199 471991122 /nfs/dbraw/zinc/99/11/22/471991122.db2.gz FOEQCUKFJBMISQ-HNNXBMFYSA-N 1 1 330.501 2.903 50 0 EFAAMO CN1CCC[C@H]1C[N@H+]1CCCN(c2nc3ccccc3s2)CC1 ZINC000020539199 471991125 /nfs/dbraw/zinc/99/11/25/471991125.db2.gz FOEQCUKFJBMISQ-HNNXBMFYSA-N 1 1 330.501 2.903 50 0 EFAAMO COc1ccccc1[C@H](CNC(=O)COc1ccc(C)cc1)[NH+](C)C ZINC000023982180 472041620 /nfs/dbraw/zinc/04/16/20/472041620.db2.gz WYPIIXILAIAVTR-SFHVURJKSA-N 1 1 342.439 2.802 50 0 EFAAMO CCc1cc2c(nc(CC)nc2NCCC[NH+]2CCOCC2)s1 ZINC000041090091 472043348 /nfs/dbraw/zinc/04/33/48/472043348.db2.gz RSAKZWLCBFILLM-UHFFFAOYSA-N 1 1 334.489 2.950 50 0 EFAAMO Nc1cc(N2CCC(CO)(CCCc3ccccc3)CC2)nc[nH+]1 ZINC000067674674 472069922 /nfs/dbraw/zinc/06/99/22/472069922.db2.gz TZKJNPFKDBBYGP-UHFFFAOYSA-N 1 1 326.444 2.661 50 0 EFAAMO CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 ZINC000041625430 472074316 /nfs/dbraw/zinc/07/43/16/472074316.db2.gz CHXLPYXHHRXTSE-INIZCTEOSA-N 1 1 338.517 2.745 50 0 EFAAMO Nc1nc(N2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)cc[nH+]1 ZINC000067712593 472078893 /nfs/dbraw/zinc/07/88/93/472078893.db2.gz RMIOOKSHDLYUDG-CYBMUJFWSA-N 1 1 338.390 2.972 50 0 EFAAMO COC(=O)c1ccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)s1 ZINC000042658990 472156722 /nfs/dbraw/zinc/15/67/22/472156722.db2.gz WIMUPCYFPWVWLK-UHFFFAOYSA-N 1 1 346.452 2.787 50 0 EFAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000055414874 472183107 /nfs/dbraw/zinc/18/31/07/472183107.db2.gz HMZLLZQIJPKLFT-SCTDSRPQSA-N 1 1 345.487 2.852 50 0 EFAAMO Cc1ccc(C)c(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)c1 ZINC000043268162 472215114 /nfs/dbraw/zinc/21/51/14/472215114.db2.gz VSUTXGWAKNUWAF-UHFFFAOYSA-N 1 1 326.444 2.888 50 0 EFAAMO COc1ccccc1NC(=S)NC[C@H](c1cccnc1)[NH+](C)C ZINC000057011208 472373581 /nfs/dbraw/zinc/37/35/81/472373581.db2.gz FBQAZQMISHOYQX-OAHLLOKOSA-N 1 1 330.457 2.680 50 0 EFAAMO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1)c1csnn1 ZINC000032497964 472440763 /nfs/dbraw/zinc/44/07/63/472440763.db2.gz HOFKFPFEYPLOAJ-AWEZNQCLSA-N 1 1 336.848 2.758 50 0 EFAAMO CCOc1nnc(CN2CC[C@@H](CNc3ccc(C)c[nH+]3)C2)s1 ZINC000097200524 472477195 /nfs/dbraw/zinc/47/71/95/472477195.db2.gz AOUARJVLEJJNBS-ZDUSSCGKSA-N 1 1 333.461 2.574 50 0 EFAAMO COCCC[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077287907 472494220 /nfs/dbraw/zinc/49/42/20/472494220.db2.gz PRHYMSWARYXZBE-OAQYLSRUSA-N 1 1 344.499 2.970 50 0 EFAAMO CCCCN1C[C@@]2(CCC[N@@H+](Cc3cccnc3N)C2)CCC1=O ZINC000077323010 472503243 /nfs/dbraw/zinc/50/32/43/472503243.db2.gz ZPLYDNLLBYGFPH-IBGZPJMESA-N 1 1 330.476 2.669 50 0 EFAAMO COCc1cc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)ccc1OC ZINC000097694588 472504695 /nfs/dbraw/zinc/50/46/95/472504695.db2.gz MBGGRDLTUYVCFO-IBGZPJMESA-N 1 1 348.487 2.528 50 0 EFAAMO Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)CCCc2cn[nH]c2)C1 ZINC000097815077 472507657 /nfs/dbraw/zinc/50/76/57/472507657.db2.gz MXSWSIWHPRMODE-GOSISDBHSA-N 1 1 340.471 2.679 50 0 EFAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)CCc1cc(Cl)no1 ZINC000077355068 472511335 /nfs/dbraw/zinc/51/13/35/472511335.db2.gz GLVPTIWDWOHVFS-HNNXBMFYSA-N 1 1 347.846 2.776 50 0 EFAAMO CC[C@H]1CN(C(=O)c2ccc(SCCO)cc2)CC[N@H+]1C(C)C ZINC000077355487 472511405 /nfs/dbraw/zinc/51/14/05/472511405.db2.gz PQYUNHMSIHYKSH-INIZCTEOSA-N 1 1 336.501 2.716 50 0 EFAAMO O=C1C[C@]2(CC[N@@H+](Cc3cccc(Oc4ccccc4)c3)C2)C(=O)N1 ZINC000077357356 472511661 /nfs/dbraw/zinc/51/16/61/472511661.db2.gz JGCMYMVHJXYJLR-FQEVSTJZSA-N 1 1 336.391 2.718 50 0 EFAAMO Cc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCO)C3)C2)cc1C ZINC000077406141 472520798 /nfs/dbraw/zinc/52/07/98/472520798.db2.gz MRQNGCIOFHUXRB-FQEVSTJZSA-N 1 1 330.472 2.500 50 0 EFAAMO c1cc(C2CC[NH+](Cc3csc(-c4ncccn4)n3)CC2)n[nH]1 ZINC000058227080 472522629 /nfs/dbraw/zinc/52/26/29/472522629.db2.gz YRGYASQJWFMYNB-UHFFFAOYSA-N 1 1 326.429 2.703 50 0 EFAAMO COc1ccc(OC)c([C@H]2CC[N@@H+](CC(C)(C)N3CCOCC3)C2)c1 ZINC000077452807 472529427 /nfs/dbraw/zinc/52/94/27/472529427.db2.gz NFHSTORMAMBJEB-INIZCTEOSA-N 1 1 348.487 2.604 50 0 EFAAMO COc1ccnc(C[N@H+]2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)c1 ZINC000077456820 472530258 /nfs/dbraw/zinc/53/02/58/472530258.db2.gz ARQZHVIKNNCISY-FQEVSTJZSA-N 1 1 343.471 2.705 50 0 EFAAMO Cc1noc2nc(C)nc(N3CC[NH+](Cc4cccc(F)c4)CC3)c12 ZINC000077470506 472532084 /nfs/dbraw/zinc/53/20/84/472532084.db2.gz AIPLOHXLFBFXFR-UHFFFAOYSA-N 1 1 341.390 2.696 50 0 EFAAMO Cn1ccnc1C(=O)[C@H]1CCC[N@H+](Cc2ccc3nsnc3c2)C1 ZINC000077506173 472542532 /nfs/dbraw/zinc/54/25/32/472542532.db2.gz TZGCYTNRBPUXRO-ZDUSSCGKSA-N 1 1 341.440 2.520 50 0 EFAAMO Cn1ccnc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc3nsnc3c2)C1 ZINC000077506173 472542538 /nfs/dbraw/zinc/54/25/38/472542538.db2.gz TZGCYTNRBPUXRO-ZDUSSCGKSA-N 1 1 341.440 2.520 50 0 EFAAMO CCCC[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccccc1Cn1cccn1 ZINC000077535121 472549255 /nfs/dbraw/zinc/54/92/55/472549255.db2.gz NRTXBYYNSKUCMX-IBGZPJMESA-N 1 1 340.471 2.764 50 0 EFAAMO CCCC[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccccc1Cn1cccn1 ZINC000077535121 472549259 /nfs/dbraw/zinc/54/92/59/472549259.db2.gz NRTXBYYNSKUCMX-IBGZPJMESA-N 1 1 340.471 2.764 50 0 EFAAMO CC[C@H]1C[N@H+](Cc2cnn(CC)c2)CCC(=O)N1Cc1ccccc1 ZINC000071439911 472551937 /nfs/dbraw/zinc/55/19/37/472551937.db2.gz FSBOSBYWLLJGKC-IBGZPJMESA-N 1 1 340.471 2.916 50 0 EFAAMO CC[C@H]1C[N@@H+](Cc2cnn(CC)c2)CCC(=O)N1Cc1ccccc1 ZINC000071439911 472551939 /nfs/dbraw/zinc/55/19/39/472551939.db2.gz FSBOSBYWLLJGKC-IBGZPJMESA-N 1 1 340.471 2.916 50 0 EFAAMO CNC(=O)[C@@H]1CC[N@@H+](Cc2nc(-c3cccc(Cl)c3)oc2C)C1 ZINC000071736088 472555864 /nfs/dbraw/zinc/55/58/64/472555864.db2.gz KWCAWBQWCUPWMA-CYBMUJFWSA-N 1 1 333.819 2.871 50 0 EFAAMO CC[N@@H+](C)CC(=O)N1CCO[C@H](c2ccc3cc(OC)ccc3c2)C1 ZINC000071747190 472557543 /nfs/dbraw/zinc/55/75/43/472557543.db2.gz NKFRYUPBSRYGKF-IBGZPJMESA-N 1 1 342.439 2.700 50 0 EFAAMO CCCc1n[nH]cc1C(=O)N1CCC[N@@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071751180 472559400 /nfs/dbraw/zinc/55/94/00/472559400.db2.gz PMQAQDWNQFDFIM-SFHVURJKSA-N 1 1 332.492 2.945 50 0 EFAAMO Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](N3CCCC3=O)C2)c(C)c1 ZINC000071756794 472559536 /nfs/dbraw/zinc/55/95/36/472559536.db2.gz LRMDDYGFVOQLHS-KRWDZBQOSA-N 1 1 343.471 2.719 50 0 EFAAMO COc1cc(C(=O)N2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)ccc1O ZINC000071751612 472560701 /nfs/dbraw/zinc/56/07/01/472560701.db2.gz DKIKXZNFHBLTJJ-QGZVFWFLSA-N 1 1 346.471 2.983 50 0 EFAAMO O=C(C[N@H+]1CC[C@@H](c2ccccc2)C1)N1CCC2(CCCO2)CC1 ZINC000071759318 472561109 /nfs/dbraw/zinc/56/11/09/472561109.db2.gz JTRLHXICFYQPOL-GOSISDBHSA-N 1 1 328.456 2.648 50 0 EFAAMO CNC(=O)[C@@H]1CC[N@@H+](Cc2nc(-c3ccc(SC)cc3)oc2C)C1 ZINC000071759852 472561709 /nfs/dbraw/zinc/56/17/09/472561709.db2.gz BDFNPUVJQPXBMK-CQSZACIVSA-N 1 1 345.468 2.940 50 0 EFAAMO O=c1[nH]nc([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)n1-c1ccccc1 ZINC000071762787 472562113 /nfs/dbraw/zinc/56/21/13/472562113.db2.gz CALBSKWMJVWCHC-GOSISDBHSA-N 1 1 348.450 2.983 50 0 EFAAMO CC(C)[C@@H]1CN(C(=O)c2ccn[nH]2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071760433 472562204 /nfs/dbraw/zinc/56/22/04/472562204.db2.gz RPDJIRNPSJXSAM-SFHVURJKSA-N 1 1 344.434 2.922 50 0 EFAAMO CC(C)[C@@H]1CN(C(=O)c2cc[nH]n2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071760433 472562208 /nfs/dbraw/zinc/56/22/08/472562208.db2.gz RPDJIRNPSJXSAM-SFHVURJKSA-N 1 1 344.434 2.922 50 0 EFAAMO CC(C)[C@@H]1CN(C(=O)c2cc[nH]n2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071760433 472562211 /nfs/dbraw/zinc/56/22/11/472562211.db2.gz RPDJIRNPSJXSAM-SFHVURJKSA-N 1 1 344.434 2.922 50 0 EFAAMO CCc1[nH]c2ccc(CNC(=O)[C@H]3CC[N@@H+](CCOC)C3)cc2c1C ZINC000071763736 472563097 /nfs/dbraw/zinc/56/30/97/472563097.db2.gz GBJWMXQCXKYGNW-INIZCTEOSA-N 1 1 343.471 2.623 50 0 EFAAMO CC[C@@H]1C[N@H+](Cc2[nH]cnc2C)CCC(=O)N1Cc1ccccc1 ZINC000071768011 472563137 /nfs/dbraw/zinc/56/31/37/472563137.db2.gz PGLMFKHMAIWBIR-QGZVFWFLSA-N 1 1 326.444 2.731 50 0 EFAAMO CC[C@@H]1C[N@@H+](Cc2[nH]cnc2C)CCC(=O)N1Cc1ccccc1 ZINC000071768011 472563146 /nfs/dbraw/zinc/56/31/46/472563146.db2.gz PGLMFKHMAIWBIR-QGZVFWFLSA-N 1 1 326.444 2.731 50 0 EFAAMO C[C@H](Cc1cccnc1)[NH2+]Cc1nc(Cc2ccccc2F)no1 ZINC000071776454 472564337 /nfs/dbraw/zinc/56/43/37/472564337.db2.gz FDOPOXHGJHDMLR-CYBMUJFWSA-N 1 1 326.375 2.915 50 0 EFAAMO CC(C)[C@H]1C[N@@H+](Cc2cccc3nonc32)CCC(=O)N1CC1CC1 ZINC000071775708 472564989 /nfs/dbraw/zinc/56/49/89/472564989.db2.gz FANRFNAIVXBMBQ-QGZVFWFLSA-N 1 1 342.443 2.692 50 0 EFAAMO Cn1nccc1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000071853505 472583882 /nfs/dbraw/zinc/58/38/82/472583882.db2.gz KHXJYFJSOFCHEM-QZTJIDSGSA-N 1 1 338.455 2.689 50 0 EFAAMO CC(C)OC(=O)NC[C@]1(O)CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000072163791 472632658 /nfs/dbraw/zinc/63/26/58/472632658.db2.gz BYTKPEPPHDCPJO-FQEVSTJZSA-N 1 1 346.471 2.505 50 0 EFAAMO 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C[NH+](C)[C@@H](CNC(=O)c1cnoc1-c1ccccc1)c1ccco1 ZINC000136101278 473133787 /nfs/dbraw/zinc/13/37/87/473133787.db2.gz XYGYTENDUOHMQK-HNNXBMFYSA-N 1 1 325.368 2.967 50 0 EFAAMO Cc1noc2nc(C)nc(N3C[C@H]4CC[C@H](C[N@@H+]4CC4CC4)C3)c12 ZINC000095370235 473192724 /nfs/dbraw/zinc/19/27/24/473192724.db2.gz RGBXXIFTKUGQAC-HUUCEWRRSA-N 1 1 327.432 2.545 50 0 EFAAMO Cc1cc(C)n(CCN(C)C(=O)[C@@H](c2ccccc2C)[NH+](C)C)n1 ZINC000095382106 473193013 /nfs/dbraw/zinc/19/30/13/473193013.db2.gz PKNXKBDRNRLRPK-GOSISDBHSA-N 1 1 328.460 2.570 50 0 EFAAMO CC(C)n1cccc1C(=O)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000220066174 474152241 /nfs/dbraw/zinc/15/22/41/474152241.db2.gz GDPMAAIRZBCMDV-KRWDZBQOSA-N 1 1 333.476 2.786 50 0 EFAAMO CC(C)[NH+]1CCC([NH2+][C@@H]2COCC[C@@H]2Oc2ccc(F)cc2)CC1 ZINC000220113502 474153160 /nfs/dbraw/zinc/15/31/60/474153160.db2.gz FHQRGGQWNYJPDT-MOPGFXCFSA-N 1 1 336.451 2.824 50 0 EFAAMO CC(C)N1CCC([NH2+][C@@H]2COCC[C@@H]2Oc2ccc(F)cc2)CC1 ZINC000220113502 474153165 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CC[NH+]1CCC(CC(=O)N(C)Cc2ccc3c(c2)CN(C)C3)CC1 ZINC000095355816 218289111 /nfs/dbraw/zinc/28/91/11/218289111.db2.gz NDNAQGNLBOGWSZ-UHFFFAOYSA-N 1 1 329.488 2.712 50 0 EFAAMO Cc1nn(CCNC(=O)[C@H](c2cccc(C)c2)[NH+](C)C)c(C)c1C ZINC000095355094 218289696 /nfs/dbraw/zinc/28/96/96/218289696.db2.gz UDQQXZFDFBSUNJ-SFHVURJKSA-N 1 1 328.460 2.536 50 0 EFAAMO CCc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccc2)on1 ZINC000095357106 218291146 /nfs/dbraw/zinc/29/11/46/218291146.db2.gz IRPWFVDVJISKDZ-FUHWJXTLSA-N 1 1 339.439 2.860 50 0 EFAAMO COc1ccc([C@@H]2C[N@H+](C3CCOCC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095365524 218297773 /nfs/dbraw/zinc/29/77/73/218297773.db2.gz ZSEXADPTURXBPI-PWRODBHTSA-N 1 1 342.483 2.736 50 0 EFAAMO CCCn1ccnc1CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000095368606 218301527 /nfs/dbraw/zinc/30/15/27/218301527.db2.gz LTRSQAYWUDGDQE-RBUKOAKNSA-N 1 1 339.487 2.785 50 0 EFAAMO CCCCn1ccnc1[C@H]1CCCN(c2nc(N(C)C)cc[nH+]2)C1 ZINC000095370615 218302447 /nfs/dbraw/zinc/30/24/47/218302447.db2.gz KMDPXXKUJZOHMV-HNNXBMFYSA-N 1 1 328.464 2.923 50 0 EFAAMO CCn1nc(C)c(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)c1C ZINC000095369759 218302753 /nfs/dbraw/zinc/30/27/53/218302753.db2.gz XLPOYNQRUFFPJQ-SJLPKXTDSA-N 1 1 344.503 2.743 50 0 EFAAMO Cc1ocnc1C(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095371210 218304007 /nfs/dbraw/zinc/30/40/07/218304007.db2.gz OFSPPSISDAYPQK-IAGOWNOFSA-N 1 1 325.412 2.720 50 0 EFAAMO Cc1ccccc1[C@@H](C(=O)NCCCOc1cccnc1)[NH+](C)C ZINC000095373897 218305929 /nfs/dbraw/zinc/30/59/29/218305929.db2.gz VSWFPKZJCUHOGY-SFHVURJKSA-N 1 1 327.428 2.578 50 0 EFAAMO Cc1noc(C)c1CCCNC(=O)[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000095377724 218309734 /nfs/dbraw/zinc/30/97/34/218309734.db2.gz PDVYPEJVKYNCHI-QGZVFWFLSA-N 1 1 333.407 2.782 50 0 EFAAMO CCc1nc(N)nc(NC[C@@H]2CCC[N@H+](Cc3ccco3)C2)c1C ZINC000095377930 218310419 /nfs/dbraw/zinc/31/04/19/218310419.db2.gz AXUSTZQPSGRFFT-AWEZNQCLSA-N 1 1 329.448 2.847 50 0 EFAAMO CCc1nc(N)nc(NC[C@@H]2CCC[N@@H+](Cc3ccco3)C2)c1C ZINC000095377930 218310422 /nfs/dbraw/zinc/31/04/22/218310422.db2.gz AXUSTZQPSGRFFT-AWEZNQCLSA-N 1 1 329.448 2.847 50 0 EFAAMO CCn1nc(CNC(=O)[C@]2(C)CCC[N@@H+](CC)C2)c2ccccc21 ZINC000095377792 218310561 /nfs/dbraw/zinc/31/05/61/218310561.db2.gz VWCUBGSMNOEDJW-LJQANCHMSA-N 1 1 328.460 2.794 50 0 EFAAMO Cc1[nH+]ccn1[C@@H](C)CC(=O)N(C)Cc1cc(-c2ccncc2)no1 ZINC000095378339 218311560 /nfs/dbraw/zinc/31/15/60/218311560.db2.gz JHNDFFAAOIWQEJ-ZDUSSCGKSA-N 1 1 339.399 2.851 50 0 EFAAMO C[NH+](C)[C@H](C(=O)N1CC(Oc2ccccc2F)C1)c1ccc(F)cc1 ZINC000095376710 218308990 /nfs/dbraw/zinc/30/89/90/218308990.db2.gz QZMBXLZIWLHYIJ-SFHVURJKSA-N 1 1 346.377 2.857 50 0 EFAAMO Cc1[nH+]ccn1CC1(CNC(=O)[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC000095387570 218319128 /nfs/dbraw/zinc/31/91/28/218319128.db2.gz CKXSCXTUFOFKTD-KRWDZBQOSA-N 1 1 344.434 2.530 50 0 EFAAMO CCC(C)(C)OC[C@@H](O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000008844705 211010602 /nfs/dbraw/zinc/01/06/02/211010602.db2.gz VBUWNYDTKFBEDV-INIZCTEOSA-N 1 1 337.460 2.628 50 0 biogenic EFAAMO Cc1cc(C(F)(F)F)nc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)n1 ZINC000095391081 218323033 /nfs/dbraw/zinc/32/30/33/218323033.db2.gz PKOXGIJNYJKRQL-GFCCVEGCSA-N 1 1 344.381 2.685 50 0 EFAAMO Cn1cc(CCCNC(=O)CC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC000095384422 218317413 /nfs/dbraw/zinc/31/74/13/218317413.db2.gz HMPKGRXVONJSFE-ZWKOTPCHSA-N 1 1 332.492 2.514 50 0 EFAAMO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1F ZINC000008863667 211012766 /nfs/dbraw/zinc/01/27/66/211012766.db2.gz GXNPUEJVJJZSDK-OAHLLOKOSA-N 1 1 349.431 2.553 50 0 EFAAMO CCCCSc1nc(NCc2cccc(C(=O)NC)c2)cc(N)[nH+]1 ZINC000095386091 218317748 /nfs/dbraw/zinc/31/77/48/218317748.db2.gz BZTPYSHNMYJYRY-UHFFFAOYSA-N 1 1 345.472 2.923 50 0 EFAAMO CCCCSc1nc(N)cc(NCc2cccc(C(=O)NC)c2)[nH+]1 ZINC000095386091 218317750 /nfs/dbraw/zinc/31/77/50/218317750.db2.gz BZTPYSHNMYJYRY-UHFFFAOYSA-N 1 1 345.472 2.923 50 0 EFAAMO C[N@H+]1CCC[C@@H](CCC(=O)NCCc2nc3c(s2)CCCC3)C1 ZINC000095386658 218318427 /nfs/dbraw/zinc/31/84/27/218318427.db2.gz JEWGNFSSXVDTTJ-AWEZNQCLSA-N 1 1 335.517 2.803 50 0 EFAAMO COc1cc(Br)c(C[N@@H+]2CCCC[C@H]2CO)cc1OC ZINC000004985901 210350245 /nfs/dbraw/zinc/35/02/45/210350245.db2.gz XJYDLFYYKDXPDB-LBPRGKRZSA-N 1 1 344.249 2.813 50 0 EFAAMO COc1cc(Br)c(C[N@H+]2CCCC[C@H]2CO)cc1OC ZINC000004985901 210350247 /nfs/dbraw/zinc/35/02/47/210350247.db2.gz XJYDLFYYKDXPDB-LBPRGKRZSA-N 1 1 344.249 2.813 50 0 EFAAMO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000004897967 210316759 /nfs/dbraw/zinc/31/67/59/210316759.db2.gz SSKHRCQZQPXDHG-GFCCVEGCSA-N 1 1 329.400 2.767 50 0 EFAAMO CCc1ccc(-c2cc(C(=O)N3C[C@H]4CC[C@@H]3C[N@@H+](C)C4)[nH]n2)cc1 ZINC000097323905 219011859 /nfs/dbraw/zinc/01/18/59/219011859.db2.gz JKUSSXYERLOYQM-DOTOQJQBSA-N 1 1 338.455 2.805 50 0 EFAAMO CCc1ccc(-c2cc(C(=O)N3C[C@H]4CC[C@@H]3C[N@H+](C)C4)n[nH]2)cc1 ZINC000097323905 219011860 /nfs/dbraw/zinc/01/18/60/219011860.db2.gz JKUSSXYERLOYQM-DOTOQJQBSA-N 1 1 338.455 2.805 50 0 EFAAMO CCc1ccc(-c2cc(C(=O)N3C[C@H]4CC[C@@H]3C[N@@H+](C)C4)n[nH]2)cc1 ZINC000097323905 219011862 /nfs/dbraw/zinc/01/18/62/219011862.db2.gz JKUSSXYERLOYQM-DOTOQJQBSA-N 1 1 338.455 2.805 50 0 EFAAMO COc1cccc2ccc(C[N@@H+](C)CCN3CCCCC3=O)nc21 ZINC000097360077 219014817 /nfs/dbraw/zinc/01/48/17/219014817.db2.gz SBEJCZWLYXNBGP-UHFFFAOYSA-N 1 1 327.428 2.688 50 0 EFAAMO CN1CC[N@@H+](Cc2ccc3ccn(Cc4ccccc4)c3c2)C[C@@H]1CO ZINC000097468482 219027043 /nfs/dbraw/zinc/02/70/43/219027043.db2.gz QHZPOOHHFCSDJM-OAQYLSRUSA-N 1 1 349.478 2.798 50 0 EFAAMO C[N@@H+]1CCN(Cc2ccc3ccn(Cc4ccccc4)c3c2)C[C@@H]1CO ZINC000097468482 219027047 /nfs/dbraw/zinc/02/70/47/219027047.db2.gz QHZPOOHHFCSDJM-OAQYLSRUSA-N 1 1 349.478 2.798 50 0 EFAAMO C[N@H+]1CCN(Cc2ccc3ccn(Cc4ccccc4)c3c2)C[C@@H]1CO ZINC000097468482 219027050 /nfs/dbraw/zinc/02/70/50/219027050.db2.gz QHZPOOHHFCSDJM-OAQYLSRUSA-N 1 1 349.478 2.798 50 0 EFAAMO COCc1cc(C[N@H+]2CCC[C@@H](Cn3ccnc3)C2)ccc1OC ZINC000097515012 219032392 /nfs/dbraw/zinc/03/23/92/219032392.db2.gz XDAQBUJIHJEPCK-QGZVFWFLSA-N 1 1 329.444 2.950 50 0 EFAAMO COc1ccc(-n2ccnc2C[N@H+](C)[C@@H](C)Cc2cnccn2)cc1 ZINC000097527907 219033131 /nfs/dbraw/zinc/03/31/31/219033131.db2.gz XIPPCYZCSOWERJ-HNNXBMFYSA-N 1 1 337.427 2.734 50 0 EFAAMO COc1ccc(-n2ccnc2C[N@@H+](C)[C@@H](C)Cc2cnccn2)cc1 ZINC000097527907 219033133 /nfs/dbraw/zinc/03/31/33/219033133.db2.gz XIPPCYZCSOWERJ-HNNXBMFYSA-N 1 1 337.427 2.734 50 0 EFAAMO C[NH+](C)Cc1ccc(C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)o1 ZINC000097578515 219036399 /nfs/dbraw/zinc/03/63/99/219036399.db2.gz JMOFMUNTPNSOMW-UHFFFAOYSA-N 1 1 348.406 2.954 50 0 EFAAMO O=c1cc(C[N@@H+]2CCCn3cncc3C2)c2cccc3c2n1CCC3 ZINC000072137388 285217105 /nfs/dbraw/zinc/21/71/05/285217105.db2.gz YYMTZKLICRFUKM-UHFFFAOYSA-N 1 1 334.423 2.550 50 0 EFAAMO O=c1cc(C[N@H+]2CCCn3cncc3C2)c2cccc3c2n1CCC3 ZINC000072137388 285217106 /nfs/dbraw/zinc/21/71/06/285217106.db2.gz YYMTZKLICRFUKM-UHFFFAOYSA-N 1 1 334.423 2.550 50 0 EFAAMO OCCn1ccc([C@@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)n1 ZINC000426662058 257959950 /nfs/dbraw/zinc/95/99/50/257959950.db2.gz FSAGWNQWMNLKIS-QGZVFWFLSA-N 1 1 336.439 2.803 50 0 EFAAMO Cc1[nH+]ccn1[C@@H](C)CC(=O)NCc1nncn1C1CCCCC1 ZINC000299771548 258084150 /nfs/dbraw/zinc/08/41/50/258084150.db2.gz QOXYBAKDQYLAJU-ZDUSSCGKSA-N 1 1 330.436 2.556 50 0 EFAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1cccc(-c2nccs2)c1 ZINC000299774895 258085298 /nfs/dbraw/zinc/08/52/98/258085298.db2.gz IJFRETMRXLPOER-HOTGVXAUSA-N 1 1 345.468 2.648 50 0 EFAAMO CCc1[nH+]ccn1CC(=O)N1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000299777853 258087581 /nfs/dbraw/zinc/08/75/81/258087581.db2.gz LVDAXQIBQLPJCA-INIZCTEOSA-N 1 1 337.427 2.994 50 0 EFAAMO CCc1[nH+]ccn1CC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000299777853 258087582 /nfs/dbraw/zinc/08/75/82/258087582.db2.gz LVDAXQIBQLPJCA-INIZCTEOSA-N 1 1 337.427 2.994 50 0 EFAAMO Cc1cccc(SC2CCN(C(=O)C[N@H+]3CCC[C@H](O)C3)CC2)c1 ZINC000299777709 258087763 /nfs/dbraw/zinc/08/77/63/258087763.db2.gz ODIZPTDELTVEDL-INIZCTEOSA-N 1 1 348.512 2.535 50 0 EFAAMO O=C(NC1(CO)CCCC1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299778538 258088134 /nfs/dbraw/zinc/08/81/34/258088134.db2.gz JYAGNYXHQPGVIH-KSZLIROESA-N 1 1 328.456 2.633 50 0 EFAAMO CCc1c(C)nn(CC(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1C ZINC000299779725 258088824 /nfs/dbraw/zinc/08/88/24/258088824.db2.gz VDQORFUGKWUTGF-LJQANCHMSA-N 1 1 340.471 2.578 50 0 EFAAMO CCc1c(C)nn(CC(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1C ZINC000299779725 258088825 /nfs/dbraw/zinc/08/88/25/258088825.db2.gz VDQORFUGKWUTGF-LJQANCHMSA-N 1 1 340.471 2.578 50 0 EFAAMO O=C([O-])CC[C@H]1C[N@H+](C2Cc3ccccc3C2)CC[C@H]1[NH+]1CCCC1 ZINC000299779455 258088835 /nfs/dbraw/zinc/08/88/35/258088835.db2.gz FSKNSQVYIUPYPG-AZUAARDMSA-N 1 1 342.483 2.805 50 0 EFAAMO CN(Cc1cnccn1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299779429 258088905 /nfs/dbraw/zinc/08/89/05/258088905.db2.gz RSWCTYHWXVDSGO-OTWHNJEPSA-N 1 1 336.439 2.661 50 0 EFAAMO CC(=O)c1cc(CC(=O)NC[C@H]2Cc3ccccc3C[N@H+]2C)cs1 ZINC000299784751 258092326 /nfs/dbraw/zinc/09/23/26/258092326.db2.gz HZIKHPPVUDGFGB-QGZVFWFLSA-N 1 1 342.464 2.666 50 0 EFAAMO CC(=O)c1cc(CC(=O)NC[C@H]2Cc3ccccc3C[N@@H+]2C)cs1 ZINC000299784751 258092327 /nfs/dbraw/zinc/09/23/27/258092327.db2.gz HZIKHPPVUDGFGB-QGZVFWFLSA-N 1 1 342.464 2.666 50 0 EFAAMO Cc1[nH+]ccn1[C@@H](C)CC(=O)NCc1csc(N2CCCC2)n1 ZINC000299786155 258093181 /nfs/dbraw/zinc/09/31/81/258093181.db2.gz WDNHWMPDNHRMBI-LBPRGKRZSA-N 1 1 333.461 2.516 50 0 EFAAMO O=C(NC[C@H]1CCC[N@H+](C2CCCCC2)C1)c1cccn2cnnc12 ZINC000299790384 258096418 /nfs/dbraw/zinc/09/64/18/258096418.db2.gz AXHXFDZQSFJYJI-OAHLLOKOSA-N 1 1 341.459 2.504 50 0 EFAAMO CO[C@]12CC[N@@H+](Cc3cnn(-c4ccccc4F)c3)[C@H]1C[C@H](O)CC2 ZINC000299792774 258098168 /nfs/dbraw/zinc/09/81/68/258098168.db2.gz GIAYCJRQRLQFSS-AYOQOUSVSA-N 1 1 345.418 2.516 50 0 EFAAMO CCCC[N@H+]1CCn2nc(CNC(=O)c3ccc(C)cc3)cc2C1 ZINC000299793408 258098917 /nfs/dbraw/zinc/09/89/17/258098917.db2.gz HZMRFWDFNZLDTB-UHFFFAOYSA-N 1 1 326.444 2.737 50 0 EFAAMO CCCC[N@H+]1CCn2nc(CNC(=O)c3ccc(C)c(F)c3)cc2C1 ZINC000299795474 258099624 /nfs/dbraw/zinc/09/96/24/258099624.db2.gz MFGZBGLHIHWLDK-UHFFFAOYSA-N 1 1 344.434 2.876 50 0 EFAAMO CCCCOc1ccc(C[N@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)cc1 ZINC000299796640 258100993 /nfs/dbraw/zinc/10/09/93/258100993.db2.gz PCIKDPVCKXZKMW-OALUTQOASA-N 1 1 342.443 2.803 50 0 EFAAMO CCCC[N@H+]1CCn2nc(CNC(=O)c3cc(F)ccc3C)cc2C1 ZINC000299797890 258101592 /nfs/dbraw/zinc/10/15/92/258101592.db2.gz OSATWJFNQVCWJC-UHFFFAOYSA-N 1 1 344.434 2.876 50 0 EFAAMO Cc1ncsc1CC[N@H+](C)C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000299799752 258103054 /nfs/dbraw/zinc/10/30/54/258103054.db2.gz RSQRJORFHMSGOF-HNNXBMFYSA-N 1 1 329.469 2.979 50 0 EFAAMO COCc1c(C)onc1C(=O)N1CCCC[C@@H]1CCn1cc[nH+]c1C ZINC000299800142 258103582 /nfs/dbraw/zinc/10/35/82/258103582.db2.gz VJVMGGDMMFCYCO-OAHLLOKOSA-N 1 1 346.431 2.719 50 0 EFAAMO COc1cccc(-n2cc(C[N@@H+](C)CCc3c(C)n[nH]c3C)cn2)c1 ZINC000299800690 258104304 /nfs/dbraw/zinc/10/43/04/258104304.db2.gz VRFPKRWMVVDXCV-UHFFFAOYSA-N 1 1 339.443 2.895 50 0 EFAAMO C[C@H](C[N@H+]1CCn2nc(CNc3cnccn3)cc2C1)c1ccccc1 ZINC000299801802 258104958 /nfs/dbraw/zinc/10/49/58/258104958.db2.gz ZGCLPZGXWIUKHA-MRXNPFEDSA-N 1 1 348.454 2.905 50 0 EFAAMO Cc1ccc(O)c(C[N@@H+](CCCn2ccnc2)Cc2cccnc2)n1 ZINC000055060718 258061251 /nfs/dbraw/zinc/06/12/51/258061251.db2.gz VAXXIEGBURCETF-UHFFFAOYSA-N 1 1 337.427 2.780 50 0 EFAAMO O=C(c1ccn(C(F)F)n1)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000299758917 258076744 /nfs/dbraw/zinc/07/67/44/258076744.db2.gz FLHJIFVPLWEQRX-UHFFFAOYSA-N 1 1 326.391 2.759 50 0 EFAAMO CCc1noc(-c2ccc(NC(=O)N3CC[N@H+]4CCC[C@H]4C3)cc2)n1 ZINC000299760508 258077346 /nfs/dbraw/zinc/07/73/46/258077346.db2.gz UZGHGSSJTFDLHF-HNNXBMFYSA-N 1 1 341.415 2.611 50 0 EFAAMO C[N@@H+](CC(=O)NCCCc1nc2cc(F)ccc2[nH]1)C1CCCC1 ZINC000299767621 258082359 /nfs/dbraw/zinc/08/23/59/258082359.db2.gz MJBVQQOCRVNRMP-UHFFFAOYSA-N 1 1 332.423 2.625 50 0 EFAAMO C[N@H+](CC(=O)NCCCc1nc2ccc(F)cc2[nH]1)C1CCCC1 ZINC000299767621 258082360 /nfs/dbraw/zinc/08/23/60/258082360.db2.gz MJBVQQOCRVNRMP-UHFFFAOYSA-N 1 1 332.423 2.625 50 0 EFAAMO C[N@@H+](CC(=O)NCCCc1nc2ccc(F)cc2[nH]1)C1CCCC1 ZINC000299767621 258082362 /nfs/dbraw/zinc/08/23/62/258082362.db2.gz MJBVQQOCRVNRMP-UHFFFAOYSA-N 1 1 332.423 2.625 50 0 EFAAMO O=C(CC[NH+]1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000052537669 132184650 /nfs/dbraw/zinc/18/46/50/132184650.db2.gz DPZDJGRIQFGMEL-UHFFFAOYSA-N 1 1 338.407 2.810 50 0 EFAAMO COC(=O)c1cc(C[NH+]2CCN(c3ccccc3C)CC2)ccc1O ZINC000055498134 132195237 /nfs/dbraw/zinc/19/52/37/132195237.db2.gz HIKIQENDTVMQPH-UHFFFAOYSA-N 1 1 340.423 2.809 50 0 EFAAMO C[C@@H]1CCC[C@H]1OC[C@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000035093017 132389382 /nfs/dbraw/zinc/38/93/82/132389382.db2.gz MNBQTFCXJCVEKS-GPMSIDNRSA-N 1 1 336.451 2.514 50 0 EFAAMO Fc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000000151945 135645620 /nfs/dbraw/zinc/64/56/20/135645620.db2.gz XMFGCEMMXSMRKM-UHFFFAOYSA-N 1 1 337.402 2.933 50 0 EFAAMO CC[N@@H+]1CCc2ncnc(N(C)Cc3ccn(-c4ccccc4)n3)c2C1 ZINC000065513448 276237993 /nfs/dbraw/zinc/23/79/93/276237993.db2.gz RVOFYBOULXHDMC-UHFFFAOYSA-N 1 1 348.454 2.677 50 0 EFAAMO CC[N@H+]1CCc2ncnc(N(C)Cc3ccn(-c4ccccc4)n3)c2C1 ZINC000065513448 276237994 /nfs/dbraw/zinc/23/79/94/276237994.db2.gz RVOFYBOULXHDMC-UHFFFAOYSA-N 1 1 348.454 2.677 50 0 EFAAMO C[N@H+]1CCCC[C@@H]1CC(=O)N(CCCO)Cc1ccc(Cl)cc1 ZINC000215069299 277042982 /nfs/dbraw/zinc/04/29/82/277042982.db2.gz XWXXWNINWKXQHS-QGZVFWFLSA-N 1 1 338.879 2.925 50 0 EFAAMO C[NH+]1CCN(C(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)CC1 ZINC000072168923 277091150 /nfs/dbraw/zinc/09/11/50/277091150.db2.gz FOKAHVMYXQGCPP-KRWDZBQOSA-N 1 1 331.460 2.547 50 0 EFAAMO CC(C)C[N@H+]1CCCn2nc(CNC(=O)CCC(F)(F)F)cc2C1 ZINC000082092705 277399276 /nfs/dbraw/zinc/39/92/76/277399276.db2.gz UGJHSDLVDXIZCG-UHFFFAOYSA-N 1 1 346.397 2.704 50 0 EFAAMO COc1cccc(C[NH+]2CCC(N3C[C@H](C)O[C@@H](C)C3)CC2)c1OC ZINC000019889886 278010332 /nfs/dbraw/zinc/01/03/32/278010332.db2.gz CNJDQQJIVOHZAX-HOTGVXAUSA-N 1 1 348.487 2.777 50 0 EFAAMO COc1ccccc1NC(=O)NC[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000067982276 278057586 /nfs/dbraw/zinc/05/75/86/278057586.db2.gz NUMCUZMFFKYEGV-MRXNPFEDSA-N 1 1 340.427 2.734 50 0 EFAAMO CC(C)n1c(=O)c2c3c(sc2nc1N1CC[NH+](C)CC1)CCCC3 ZINC000012391220 278121616 /nfs/dbraw/zinc/12/16/16/278121616.db2.gz YYNXCJSAGMWMEV-UHFFFAOYSA-N 1 1 346.500 2.670 50 0 EFAAMO Cc1nonc1C[N@H+]1CC[C@]2(C1)CCCN(C1CCCCC1)C2=O ZINC000091350939 279262510 /nfs/dbraw/zinc/26/25/10/279262510.db2.gz OLRMYHRKHZXXRB-SFHVURJKSA-N 1 1 332.448 2.525 50 0 EFAAMO Cc1c2cc(Br)ccc2[nH]c1C(=O)N1CC[NH+](C)CC1 ZINC000020572432 280260902 /nfs/dbraw/zinc/26/09/02/280260902.db2.gz YYKZODYCAADDRS-UHFFFAOYSA-N 1 1 336.233 2.626 50 0 EFAAMO CN(Cc1ccc(Cl)nc1)C(=O)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000095523356 289756781 /nfs/dbraw/zinc/75/67/81/289756781.db2.gz LCCMUZCDFODFDG-QGZVFWFLSA-N 1 1 344.846 2.926 50 0 EFAAMO Cn1c(CN2CCCCC2)nnc1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000072423118 294153005 /nfs/dbraw/zinc/15/30/05/294153005.db2.gz ZYURDVMULDXNIH-MRXNPFEDSA-N 1 1 331.508 2.923 50 0 EFAAMO Cc1ccccc1[C@H](C(=O)N(C)CC[N@@H+](C)C1CCCC1)N(C)C ZINC000095382369 302170273 /nfs/dbraw/zinc/17/02/73/302170273.db2.gz PIIQEDPTCRAOGZ-LJQANCHMSA-N 1 1 331.504 2.931 50 0 EFAAMO Cc1ccc(NCCCNC(=O)N(C)C[C@H](O)c2ccccc2)[nH+]c1 ZINC000534574411 448453671 /nfs/dbraw/zinc/45/36/71/448453671.db2.gz DDJCUSVYRAISLO-KRWDZBQOSA-N 1 1 342.443 2.567 50 0 EFAAMO COc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCC[N@@H+](C)C1)CC(C)(C)O2 ZINC000071385322 472548962 /nfs/dbraw/zinc/54/89/62/472548962.db2.gz OWYFHFOLBDKMHL-XJKSGUPXSA-N 1 1 332.444 2.755 50 0 EFAAMO Cc1cc(C(=O)N2CCC[N@H+](C)CC2)c2cnn(C3CCCC3)c2n1 ZINC000095478917 473212417 /nfs/dbraw/zinc/21/24/17/473212417.db2.gz CINCDHKKHXXSGV-UHFFFAOYSA-N 1 1 341.459 2.633 50 0 EFAAMO Cc1nc(CC2CCN(C(=O)[C@@H](C)n3cc[nH+]c3C(C)C)CC2)no1 ZINC000095503261 473214592 /nfs/dbraw/zinc/21/45/92/473214592.db2.gz OMJTUJXWIVXGAK-CYBMUJFWSA-N 1 1 345.447 2.740 50 0 EFAAMO CSCCc1nc([C@@H]2CC[N@@H+](C)C2)n(Cc2ccc(F)cc2)n1 ZINC000095503325 473215067 /nfs/dbraw/zinc/21/50/67/473215067.db2.gz IASAUXAVCRBZMV-CQSZACIVSA-N 1 1 334.464 2.790 50 0 EFAAMO Cc1ccnc(N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)n1 ZINC000095505132 473216204 /nfs/dbraw/zinc/21/62/04/473216204.db2.gz GDWMWSPGNQCYHZ-QGZVFWFLSA-N 1 1 334.427 2.809 50 0 EFAAMO Cc1ccccc1[C@@H](C(=O)NCCC(=O)NC1CCCCC1)[NH+](C)C ZINC000095511914 473216988 /nfs/dbraw/zinc/21/69/88/473216988.db2.gz JGSWEDMTQMLTSH-IBGZPJMESA-N 1 1 345.487 2.553 50 0 EFAAMO O=C(C1CCC1)N1CCC[N@@H+](C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095519416 473219135 /nfs/dbraw/zinc/21/91/35/473219135.db2.gz YKYLHGSXJWESKK-QGZVFWFLSA-N 1 1 342.483 2.962 50 0 EFAAMO O=C(C1CCC1)N1CCC[N@@H+](C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095519417 473219287 /nfs/dbraw/zinc/21/92/87/473219287.db2.gz YKYLHGSXJWESKK-KRWDZBQOSA-N 1 1 342.483 2.962 50 0 EFAAMO CCc1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccco3)C2)on1 ZINC000095518472 473219451 /nfs/dbraw/zinc/21/94/51/473219451.db2.gz UTVONZXVMIKIPZ-CQSZACIVSA-N 1 1 331.416 2.701 50 0 EFAAMO CN(Cc1ccc(Cl)nc1)C(=O)[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000095523357 473219960 /nfs/dbraw/zinc/21/99/60/473219960.db2.gz LCCMUZCDFODFDG-KRWDZBQOSA-N 1 1 344.846 2.926 50 0 EFAAMO CCc1ccc(C[N@@H+]2C[C@@H](c3ccc(OC)cc3)[C@H](NC(C)=O)C2)o1 ZINC000095524421 473220292 /nfs/dbraw/zinc/22/02/92/473220292.db2.gz IIGREEASORJAPX-VQTJNVASSA-N 1 1 342.439 2.955 50 0 EFAAMO Cn1cnnc1CC1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000082096762 473287474 /nfs/dbraw/zinc/28/74/74/473287474.db2.gz SAEXNDNUDZWQGI-UHFFFAOYSA-N 1 1 331.489 2.605 50 0 EFAAMO C[NH+](C)[C@H]1CCCCN(C(=O)CN2CCC(c3ccccc3)CC2)C1 ZINC000082121700 473292192 /nfs/dbraw/zinc/29/21/92/473292192.db2.gz HYXHQAYKTZZKFA-FQEVSTJZSA-N 1 1 343.515 2.809 50 0 EFAAMO CCC[C@@H](C(=O)OCC)[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082136727 473293848 /nfs/dbraw/zinc/29/38/48/473293848.db2.gz JPMRPMSFPKYLJX-INIZCTEOSA-N 1 1 345.443 2.617 50 0 EFAAMO CCCc1nnc(NCc2cc3n(n2)CCC[N@H+](CCC)C3)s1 ZINC000082138611 473295740 /nfs/dbraw/zinc/29/57/40/473295740.db2.gz KKSNBMIQXCULMI-UHFFFAOYSA-N 1 1 334.493 2.915 50 0 EFAAMO C[NH+]1CCC(Cc2noc(C3CCN(Cc4ccco4)CC3)n2)CC1 ZINC000096162313 473319919 /nfs/dbraw/zinc/31/99/19/473319919.db2.gz DQZIRUCDUXONBQ-UHFFFAOYSA-N 1 1 344.459 2.927 50 0 EFAAMO CN1CC[NH+](CCCNC(=O)Nc2ccc(-c3ccco3)cc2)CC1 ZINC000096160351 473320242 /nfs/dbraw/zinc/32/02/42/473320242.db2.gz SKWIVJJEVVDSQG-UHFFFAOYSA-N 1 1 342.443 2.706 50 0 EFAAMO COCCOc1cccc(NC(=O)N2CC([N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000096165907 473321474 /nfs/dbraw/zinc/32/14/74/473321474.db2.gz WOCJUAHRXJTDID-HNNXBMFYSA-N 1 1 347.459 2.802 50 0 EFAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1n[nH]c2c1CCCCC2 ZINC000096222017 473353704 /nfs/dbraw/zinc/35/37/04/473353704.db2.gz QMNFNYXKEAWXNL-WMLDXEAASA-N 1 1 330.476 2.673 50 0 biogenic EFAAMO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1[nH]nc2c1CCCCC2 ZINC000096222017 473353707 /nfs/dbraw/zinc/35/37/07/473353707.db2.gz QMNFNYXKEAWXNL-WMLDXEAASA-N 1 1 330.476 2.673 50 0 biogenic EFAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1[nH]nc2c1CCCCC2 ZINC000096222017 473353713 /nfs/dbraw/zinc/35/37/13/473353713.db2.gz QMNFNYXKEAWXNL-WMLDXEAASA-N 1 1 330.476 2.673 50 0 biogenic EFAAMO O=C([C@H]1CCC[N@@H+](Cc2ccncc2)C1)N1CCc2ccccc2C1 ZINC000000212881 471335873 /nfs/dbraw/zinc/33/58/73/471335873.db2.gz WFKHITGEJNDWAT-FQEVSTJZSA-N 1 1 335.451 2.879 50 0 EFAAMO COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000002449380 471408418 /nfs/dbraw/zinc/40/84/18/471408418.db2.gz QPAMRWHFSHPTEB-LBPRGKRZSA-N 1 1 343.427 2.933 50 0 EFAAMO O=C(COc1ccccc1)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012713407 471791720 /nfs/dbraw/zinc/79/17/20/471791720.db2.gz NZGJSFNNJDDMOJ-QGZVFWFLSA-N 1 1 342.414 2.985 50 0 EFAAMO O=C(COc1ccccc1)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012713407 471791725 /nfs/dbraw/zinc/79/17/25/471791725.db2.gz NZGJSFNNJDDMOJ-QGZVFWFLSA-N 1 1 342.414 2.985 50 0 EFAAMO O=C(CCc1cnccn1)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012757354 471794247 /nfs/dbraw/zinc/79/42/47/471794247.db2.gz SUCWAFKEXYJEMC-QGZVFWFLSA-N 1 1 330.476 2.713 50 0 EFAAMO CCOc1ccc(N2C(=O)C[C@H]([N@H+]3CCCC[C@@H]3CC)C2=O)cc1 ZINC000013404070 471828318 /nfs/dbraw/zinc/82/83/18/471828318.db2.gz DEYMRGFPFBMRFM-YOEHRIQHSA-N 1 1 330.428 2.982 50 0 EFAAMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H](C)O1 ZINC000013425526 471829675 /nfs/dbraw/zinc/82/96/75/471829675.db2.gz LDZNUSPFEHIING-TXEJJXNPSA-N 1 1 341.249 2.887 50 0 EFAAMO Cc1ccccc1C(=O)Nc1cccc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000014554077 471874655 /nfs/dbraw/zinc/87/46/55/471874655.db2.gz FSESWGMPYKTWEI-UHFFFAOYSA-N 1 1 337.423 2.635 50 0 EFAAMO Clc1cccc(C[N@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)c1 ZINC000014883847 471881082 /nfs/dbraw/zinc/88/10/82/471881082.db2.gz ALBPHRRMNWWXGK-OAHLLOKOSA-N 1 1 332.835 2.841 50 0 EFAAMO Clc1cccc(C[N@@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)c1 ZINC000014883847 471881085 /nfs/dbraw/zinc/88/10/85/471881085.db2.gz ALBPHRRMNWWXGK-OAHLLOKOSA-N 1 1 332.835 2.841 50 0 EFAAMO CC(=O)Nc1ccnn1C1CC[NH+](Cc2cc(C(C)C)n[nH]2)CC1 ZINC000015064421 471887626 /nfs/dbraw/zinc/88/76/26/471887626.db2.gz LASBHBWTHTWRBW-UHFFFAOYSA-N 1 1 330.436 2.525 50 0 EFAAMO C[N@@H+](C[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O)C1CCCCC1 ZINC000015061893 471888063 /nfs/dbraw/zinc/88/80/63/471888063.db2.gz OWRUKVOHGJXBFG-FQEVSTJZSA-N 1 1 348.462 2.944 50 0 EFAAMO CN(C(=O)Cc1cccnc1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000015064897 471888094 /nfs/dbraw/zinc/88/80/94/471888094.db2.gz DJXHBHNYGFDCOL-SFHVURJKSA-N 1 1 341.430 2.886 50 0 EFAAMO CN(C(=O)Cc1cccnc1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000015064897 471888096 /nfs/dbraw/zinc/88/80/96/471888096.db2.gz DJXHBHNYGFDCOL-SFHVURJKSA-N 1 1 341.430 2.886 50 0 EFAAMO O=C(COc1ccc(F)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000016604563 471943991 /nfs/dbraw/zinc/94/39/91/471943991.db2.gz OINDIJOKLTXWPR-UHFFFAOYSA-N 1 1 342.414 2.591 50 0 EFAAMO CC(=O)c1cc(CN2CC[N@@H+](CC(C)(C)C)[C@@H](CCO)C2)cs1 ZINC000019227128 471978710 /nfs/dbraw/zinc/97/87/10/471978710.db2.gz YQIONGYWILPVCK-INIZCTEOSA-N 1 1 338.517 2.865 50 0 EFAAMO Cc1cc(C[NH+]2CCN(c3ncccn3)CC2)c2ccc(F)cc2n1 ZINC000019811073 471985092 /nfs/dbraw/zinc/98/50/92/471985092.db2.gz KPABKTVVVKQLST-UHFFFAOYSA-N 1 1 337.402 2.795 50 0 EFAAMO O[C@@H](COCc1ccccc1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019809558 471985131 /nfs/dbraw/zinc/98/51/31/471985131.db2.gz YWPZLCUKMWLIJV-GOSISDBHSA-N 1 1 344.430 2.525 50 0 EFAAMO COc1ccc([C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000020218814 471988634 /nfs/dbraw/zinc/98/86/34/471988634.db2.gz HFPXVDOTRRFISI-LJQANCHMSA-N 1 1 330.403 2.690 50 0 EFAAMO Cc1ccc(N2CCN(C(=O)CC[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000020600630 471993060 /nfs/dbraw/zinc/99/30/60/471993060.db2.gz LKWOTSOHEJWLCI-SFHVURJKSA-N 1 1 329.488 2.766 50 0 EFAAMO Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000023115065 472026430 /nfs/dbraw/zinc/02/64/30/472026430.db2.gz KVOUIDDAUNJCML-QGZVFWFLSA-N 1 1 344.430 2.696 50 0 EFAAMO Cc1c(Cl)cccc1S(=O)(=O)N1CC[NH+](CC(C)C)CC1 ZINC000039974991 472027475 /nfs/dbraw/zinc/02/74/75/472027475.db2.gz IVGZQJJUNRILBC-UHFFFAOYSA-N 1 1 330.881 2.611 50 0 EFAAMO O=C1CCCN1c1cccc(N2CCC([N@H+]3CCCOCC3)CC2)c1 ZINC000023368472 472032155 /nfs/dbraw/zinc/03/21/55/472032155.db2.gz GYYREBODFCLKDU-UHFFFAOYSA-N 1 1 343.471 2.505 50 0 EFAAMO COc1ccc(CC(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)cc1 ZINC000023980467 472041397 /nfs/dbraw/zinc/04/13/97/472041397.db2.gz ZBTBQYXAWDQNKN-SFHVURJKSA-N 1 1 342.439 2.665 50 0 biogenic EFAAMO C[N@H+]1CCCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000025659063 472107061 /nfs/dbraw/zinc/10/70/61/472107061.db2.gz SVTHCNNBKJYCAB-HXUWFJFHSA-N 1 1 340.467 2.731 50 0 EFAAMO CN1CCC[N@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000025659063 472107063 /nfs/dbraw/zinc/10/70/63/472107063.db2.gz SVTHCNNBKJYCAB-HXUWFJFHSA-N 1 1 340.467 2.731 50 0 EFAAMO 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COc1c(C[NH2+]C2CCN(Cc3cccc(C)c3)CC2)c(C)nn1C ZINC000058311950 472543187 /nfs/dbraw/zinc/54/31/87/472543187.db2.gz IYAXRPKWPHWTOD-UHFFFAOYSA-N 1 1 342.487 2.800 50 0 EFAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)COCc1ccccc1 ZINC000077518688 472544705 /nfs/dbraw/zinc/54/47/05/472544705.db2.gz IENPGIQWRWEQFZ-FQEVSTJZSA-N 1 1 338.451 2.718 50 0 EFAAMO COCCN1C[C@]2(CCC[N@@H+](Cc3ccc(C)s3)C2)CCC1=O ZINC000077541095 472551356 /nfs/dbraw/zinc/55/13/56/472551356.db2.gz FDIXTFNGEMWYOH-GOSISDBHSA-N 1 1 336.501 2.908 50 0 EFAAMO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](CCN3CCCC3=O)C2)cc1 ZINC000071589642 472553771 /nfs/dbraw/zinc/55/37/71/472553771.db2.gz DMUGSSQFHRWKMF-INIZCTEOSA-N 1 1 346.496 2.926 50 0 EFAAMO CCN(C)CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071575966 472553962 /nfs/dbraw/zinc/55/39/62/472553962.db2.gz REULTHGJKKAWDG-IBGZPJMESA-N 1 1 349.494 2.836 50 0 EFAAMO CCN(C)CC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071575966 472553966 /nfs/dbraw/zinc/55/39/66/472553966.db2.gz 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/nfs/dbraw/zinc/56/36/05/472563605.db2.gz RNXZDZXDILAJMG-GOSISDBHSA-N 1 1 341.459 2.540 50 0 EFAAMO CC(C)[C@H]1CN(C(=O)c2ccc3[nH]nnc3c2)CCC[N@H+]1CC1CC1 ZINC000071764530 472563610 /nfs/dbraw/zinc/56/36/10/472563610.db2.gz RNXZDZXDILAJMG-GOSISDBHSA-N 1 1 341.459 2.540 50 0 EFAAMO Cn1nccc1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000071853504 472583938 /nfs/dbraw/zinc/58/39/38/472583938.db2.gz KHXJYFJSOFCHEM-ROUUACIJSA-N 1 1 338.455 2.689 50 0 EFAAMO O=C1NC[C@@]2(CCC[N@H+](Cc3cc4c(cc3Cl)OCO4)CC2)O1 ZINC000072159451 472632261 /nfs/dbraw/zinc/63/22/61/472632261.db2.gz QATQSFFMYGPAKJ-INIZCTEOSA-N 1 1 338.791 2.533 50 0 EFAAMO CCn1cncc1C[N@H+]1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072165229 472633529 /nfs/dbraw/zinc/63/35/29/472633529.db2.gz VEGSRLIZPZZCTE-PWRODBHTSA-N 1 1 336.483 2.965 50 0 EFAAMO CCn1cncc1CN1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072165229 472633534 /nfs/dbraw/zinc/63/35/34/472633534.db2.gz VEGSRLIZPZZCTE-PWRODBHTSA-N 1 1 336.483 2.965 50 0 EFAAMO 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/nfs/dbraw/zinc/75/89/46/472758946.db2.gz RJFSUQNOCKPVNK-ZWKOTPCHSA-N 1 1 338.455 2.579 50 0 EFAAMO COCC[C@]1(O)CC[N@@H+](Cc2cnc(-c3cccs3)nc2)C[C@H]1C ZINC000091365284 472759912 /nfs/dbraw/zinc/75/99/12/472759912.db2.gz MSHRSZZVIBUDMS-RDTXWAMCSA-N 1 1 347.484 2.815 50 0 EFAAMO Cc1n[nH]c(C)c1C[N@H+]1C[C@H](NC(=O)CC2CCC2)[C@@H](C2CC2)C1 ZINC000091547589 472776352 /nfs/dbraw/zinc/77/63/52/472776352.db2.gz NGTXSIIVTCGTDM-MSOLQXFVSA-N 1 1 330.476 2.543 50 0 EFAAMO FC(F)(F)c1ccc2nc(-c3cn(C4CC[NH2+]CC4)nn3)[nH]c2c1 ZINC000091656596 472790957 /nfs/dbraw/zinc/79/09/57/472790957.db2.gz ZXPLQWJGBOTPKJ-UHFFFAOYSA-N 1 1 336.321 2.765 50 0 EFAAMO CC(C)C[C@H]([NH2+]Cc1cc(=O)c2cccc(F)c2[nH]1)c1ncnn1C ZINC000091725468 472797476 /nfs/dbraw/zinc/79/74/76/472797476.db2.gz UTUUVDSEEMHMGA-HNNXBMFYSA-N 1 1 343.406 2.673 50 0 EFAAMO C[NH+](C)CCCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 ZINC000091951361 472830426 /nfs/dbraw/zinc/83/04/26/472830426.db2.gz WQXKZWMBPVSPAE-PKOBYXMFSA-N 1 1 347.478 2.590 50 0 EFAAMO CCC(CC)C[N@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000092019353 472845099 /nfs/dbraw/zinc/84/50/99/472845099.db2.gz LLLCWBSNPUCMIN-UHFFFAOYSA-N 1 1 332.492 2.941 50 0 EFAAMO CCCn1ncc(-c2ccnc(NCC[C@H]3CCC[N@H+]3C)n2)c1C ZINC000048435979 472877406 /nfs/dbraw/zinc/87/74/06/472877406.db2.gz MVWUGBHBMABODJ-OAHLLOKOSA-N 1 1 328.464 2.955 50 0 EFAAMO Cc1c[nH]c(CN2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)c(C)c1=O ZINC000106944122 472917594 /nfs/dbraw/zinc/91/75/94/472917594.db2.gz ZFEBZUISNFUAHT-LJQANCHMSA-N 1 1 331.504 2.934 50 0 EFAAMO OCC[C@@H]1CN(c2ncccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000106992827 472921216 /nfs/dbraw/zinc/92/12/16/472921216.db2.gz BNCYNHKTXSTEFP-MRXNPFEDSA-N 1 1 331.847 2.808 50 0 EFAAMO OCC[C@@H]1CN(c2ncccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000106992827 472921220 /nfs/dbraw/zinc/92/12/20/472921220.db2.gz BNCYNHKTXSTEFP-MRXNPFEDSA-N 1 1 331.847 2.808 50 0 EFAAMO Cc1nc(C2CC2)ncc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000065382517 472930242 /nfs/dbraw/zinc/93/02/42/472930242.db2.gz 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1 333.451 2.692 50 0 EFAAMO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCCO[C@H](C)C1 ZINC000170768905 473608596 /nfs/dbraw/zinc/60/85/96/473608596.db2.gz HPIZWJNHTFLOSJ-GFCCVEGCSA-N 1 1 326.824 2.788 50 0 EFAAMO COCC[N@@H+](Cc1nn(C)c2cccc(Cl)c12)C[C@H]1CCCO1 ZINC000215401211 474137526 /nfs/dbraw/zinc/13/75/26/474137526.db2.gz GIMWANWKWNNVEG-CYBMUJFWSA-N 1 1 337.851 2.854 50 0 EFAAMO COCC[N@H+](Cc1nn(C)c2cccc(Cl)c12)C[C@H]1CCCO1 ZINC000215401211 474137534 /nfs/dbraw/zinc/13/75/34/474137534.db2.gz GIMWANWKWNNVEG-CYBMUJFWSA-N 1 1 337.851 2.854 50 0 EFAAMO COCCc1noc([C@@H]2CCC[N@H+](Cc3ccncc3Cl)C2)n1 ZINC000215679766 474138487 /nfs/dbraw/zinc/13/84/87/474138487.db2.gz ZAHSROBBJYAJMF-CYBMUJFWSA-N 1 1 336.823 2.687 50 0 EFAAMO COCCc1noc([C@@H]2CCC[N@@H+](Cc3ccncc3Cl)C2)n1 ZINC000215679766 474138491 /nfs/dbraw/zinc/13/84/91/474138491.db2.gz ZAHSROBBJYAJMF-CYBMUJFWSA-N 1 1 336.823 2.687 50 0 EFAAMO CN(Cc1ccccc1OCCO)C[C@H]1Cc2ccccc2C[N@H+]1C ZINC000216474435 474140817 /nfs/dbraw/zinc/14/08/17/474140817.db2.gz HXOAJINNPYAOEL-HXUWFJFHSA-N 1 1 340.467 2.546 50 0 EFAAMO CN1Cc2ccccc2C[C@@H]1C[N@H+](C)Cc1ccccc1OCCO ZINC000216474435 474140822 /nfs/dbraw/zinc/14/08/22/474140822.db2.gz HXOAJINNPYAOEL-HXUWFJFHSA-N 1 1 340.467 2.546 50 0 EFAAMO CN1Cc2ccccc2C[C@@H]1C[N@@H+](C)Cc1ccccc1OCCO ZINC000216474435 474140828 /nfs/dbraw/zinc/14/08/28/474140828.db2.gz HXOAJINNPYAOEL-HXUWFJFHSA-N 1 1 340.467 2.546 50 0 EFAAMO Cc1cccc(-c2ccccc2C(=O)N2CCN3CC[N@H+](C)C[C@@H]3C2)c1 ZINC000223474343 474185293 /nfs/dbraw/zinc/18/52/93/474185293.db2.gz ZBGVUUOXWCJXCA-LJQANCHMSA-N 1 1 349.478 2.734 50 0 EFAAMO Cc1ccc[nH+]c1N1CCN(C(=O)[C@@H]2CCc3ccccc3C2)CC1 ZINC000223598525 474186802 /nfs/dbraw/zinc/18/68/02/474186802.db2.gz HHSYXTVMBJBQQO-LJQANCHMSA-N 1 1 335.451 2.844 50 0 EFAAMO CCc1[nH+]ccn1CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000223763512 474190801 /nfs/dbraw/zinc/19/08/01/474190801.db2.gz CTMZQRXGOFCYDD-ZDUSSCGKSA-N 1 1 335.835 2.991 50 0 EFAAMO O=C([C@@H]1CCOC1)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000247850129 474217179 /nfs/dbraw/zinc/21/71/79/474217179.db2.gz IMIFBYPLOVBYMS-GUDVDZBRSA-N 1 1 328.456 2.679 50 0 EFAAMO C[C@@H](c1cccs1)N(C)C(=O)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229219214 474250692 /nfs/dbraw/zinc/25/06/92/474250692.db2.gz VACMNZQAVYAYNP-UONOGXRCSA-N 1 1 332.473 2.870 50 0 EFAAMO C[C@@H](c1cccs1)N(C)C(=O)C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229219214 474250695 /nfs/dbraw/zinc/25/06/95/474250695.db2.gz VACMNZQAVYAYNP-UONOGXRCSA-N 1 1 332.473 2.870 50 0 EFAAMO COCC[C@@H]1C[N@H+](Cc2ccccc2-n2nc(C)cc2C)CCO1 ZINC000240203793 474549361 /nfs/dbraw/zinc/54/93/61/474549361.db2.gz JTLQFNZZIWTAGH-GOSISDBHSA-N 1 1 329.444 2.726 50 0 EFAAMO COCC[C@@H]1C[N@@H+](Cc2ccccc2-n2nc(C)cc2C)CCO1 ZINC000240203793 474549368 /nfs/dbraw/zinc/54/93/68/474549368.db2.gz JTLQFNZZIWTAGH-GOSISDBHSA-N 1 1 329.444 2.726 50 0 EFAAMO O=C(CC[N@H+]1C[C@@H]2CC[C@H]1C2)NCc1cnn(-c2cccc(F)c2)c1 ZINC000244734439 474566787 /nfs/dbraw/zinc/56/67/87/474566787.db2.gz NFNAZODJOSLJNJ-PBHICJAKSA-N 1 1 342.418 2.502 50 0 EFAAMO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc(OC)c3ncccc23)o1 ZINC000244795306 474567265 /nfs/dbraw/zinc/56/72/65/474567265.db2.gz RDQKMLYYQIOQCQ-UHFFFAOYSA-N 1 1 339.395 2.828 50 0 EFAAMO c1nc2ccccc2n1CC[NH+]1CCC(N2CCSCC2)CC1 ZINC000244866533 474568031 /nfs/dbraw/zinc/56/80/31/474568031.db2.gz VXUDHMTWHGFTFA-UHFFFAOYSA-N 1 1 330.501 2.550 50 0 EFAAMO O=C(CC[N@H+]1C[C@@H]2CC[C@H]1C2)NCC1(c2ccccc2)CCOCC1 ZINC000252483519 474668845 /nfs/dbraw/zinc/66/88/45/474668845.db2.gz FDINAYRGWKDXFD-MJGOQNOKSA-N 1 1 342.483 2.725 50 0 EFAAMO CC[NH+]1CCN(C(=O)[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)CC1 ZINC000252488631 474675458 /nfs/dbraw/zinc/67/54/58/474675458.db2.gz IVXICELXAKRBLY-FQEVSTJZSA-N 1 1 346.471 2.565 50 0 EFAAMO CC(C)C[N@H+]1CCN(Cc2cncn2C2CCCCC2)C[C@@H]1CCO ZINC000252509475 474687426 /nfs/dbraw/zinc/68/74/26/474687426.db2.gz YOMXKHWOOZQTQH-IBGZPJMESA-N 1 1 348.535 2.913 50 0 EFAAMO CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)[nH]n1 ZINC000253413770 474740962 /nfs/dbraw/zinc/74/09/62/474740962.db2.gz VPXZLXSEMWRTJR-MAUKXSAKSA-N 1 1 332.492 2.945 50 0 biogenic EFAAMO CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n[nH]1 ZINC000253413770 474740968 /nfs/dbraw/zinc/74/09/68/474740968.db2.gz VPXZLXSEMWRTJR-MAUKXSAKSA-N 1 1 332.492 2.945 50 0 biogenic EFAAMO CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)n[nH]1 ZINC000253413770 474740977 /nfs/dbraw/zinc/74/09/77/474740977.db2.gz VPXZLXSEMWRTJR-MAUKXSAKSA-N 1 1 332.492 2.945 50 0 biogenic EFAAMO Cc1[nH+]ccn1CCNC(=O)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000253413376 474741245 /nfs/dbraw/zinc/74/12/45/474741245.db2.gz UQRCVCIDPPBCNE-UHFFFAOYSA-N 1 1 327.428 2.654 50 0 EFAAMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1cccc(-c2ccccc2)c1 ZINC000287510221 475178161 /nfs/dbraw/zinc/17/81/61/475178161.db2.gz FJATVWHRESHOBL-IBGZPJMESA-N 1 1 338.455 2.721 50 0 EFAAMO NC(=O)c1cccc(NC(=O)NC[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000299774742 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/nfs/dbraw/zinc/09/27/53/243092753.db2.gz WYKWXFVIAGIWNU-INIZCTEOSA-N 1 1 328.416 2.913 50 0 EFAAMO C[C@H](Cc1cnccn1)[N@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000244884468 243098882 /nfs/dbraw/zinc/09/88/82/243098882.db2.gz YNHMPSLUJRKDPP-GFCCVEGCSA-N 1 1 327.363 2.729 50 0 EFAAMO C[C@H](Cc1cnccn1)[N@@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000244884468 243098889 /nfs/dbraw/zinc/09/88/89/243098889.db2.gz YNHMPSLUJRKDPP-GFCCVEGCSA-N 1 1 327.363 2.729 50 0 EFAAMO Cc1c(C[NH+]2CCN(c3nccc(-c4ccccc4)n3)CC2)cnn1C ZINC000244748508 243072945 /nfs/dbraw/zinc/07/29/45/243072945.db2.gz OIZNPYDAXHCNPS-UHFFFAOYSA-N 1 1 348.454 2.508 50 0 EFAAMO CC[NH+]1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)CC1 ZINC000020756497 212170153 /nfs/dbraw/zinc/17/01/53/212170153.db2.gz ZHDOMMQABWFEMM-YAOJWGSESA-N 1 1 346.515 2.938 50 0 biogenic EFAAMO Clc1ccc(-c2ccc(NCCC[NH+]3CCOCC3)nn2)cc1 ZINC000020739926 212168837 /nfs/dbraw/zinc/16/88/37/212168837.db2.gz HMNJNQKBRSGLHP-UHFFFAOYSA-N 1 1 332.835 2.931 50 0 EFAAMO Cc1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020639142 212158802 /nfs/dbraw/zinc/15/88/02/212158802.db2.gz UIROVOQVAUEETI-HXUWFJFHSA-N 1 1 340.467 2.553 50 0 EFAAMO Cn1nc2c(c1NC(=O)c1ccc([C@@H]3CCC[N@H+]3C)s1)CCC2 ZINC000020638642 212158199 /nfs/dbraw/zinc/15/81/99/212158199.db2.gz YMETUARBPCUASG-ZDUSSCGKSA-N 1 1 330.457 2.989 50 0 EFAAMO Cc1[nH]c2ccc(C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)cc2c1C ZINC000020573775 212149292 /nfs/dbraw/zinc/14/92/92/212149292.db2.gz WMPOAIVQUNJVGH-KRWDZBQOSA-N 1 1 341.455 2.722 50 0 EFAAMO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nccn3C)C2)cc1F ZINC000252501535 243825763 /nfs/dbraw/zinc/82/57/63/243825763.db2.gz UHCNQKLUDKKKFF-AWEZNQCLSA-N 1 1 330.407 2.686 50 0 EFAAMO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nccn3C)C2)cc1F ZINC000252501535 243825772 /nfs/dbraw/zinc/82/57/72/243825772.db2.gz UHCNQKLUDKKKFF-AWEZNQCLSA-N 1 1 330.407 2.686 50 0 EFAAMO CC(=O)Oc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020310561 212117614 /nfs/dbraw/zinc/11/76/14/212117614.db2.gz KCFQGLDCNZFFBM-UHFFFAOYSA-N 1 1 338.407 2.570 50 0 EFAAMO OCC[C@H]1CN(Cc2ccc(O)cc2)CC[N@H+]1CC1CCCCC1 ZINC000020205266 212110637 /nfs/dbraw/zinc/11/06/37/212110637.db2.gz AYUUIBNPGCJDQS-IBGZPJMESA-N 1 1 332.488 2.841 50 0 EFAAMO OCC[C@H]1CN(Cc2nccs2)CC[N@H+]1CCCc1ccccc1 ZINC000020166278 212108723 /nfs/dbraw/zinc/10/87/23/212108723.db2.gz KBIBXGPHMTTYLS-SFHVURJKSA-N 1 1 345.512 2.645 50 0 EFAAMO COc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccccc3Cl)C2=O)cc1 ZINC000020136948 212105098 /nfs/dbraw/zinc/10/50/98/212105098.db2.gz FJPVJHFUFCCHOZ-MRXNPFEDSA-N 1 1 344.798 2.770 50 0 EFAAMO Cc1ccc2c(c1)c1c(n2C[C@H](O)C[NH+]2CCOCC2)CCCC1 ZINC000019908764 212082383 /nfs/dbraw/zinc/08/23/83/212082383.db2.gz TWQMQSYAXLUFCR-MRXNPFEDSA-N 1 1 328.456 2.522 50 0 EFAAMO Brc1ccccc1C[NH+]1CCC(N2CCOCC2)CC1 ZINC000019885746 212080176 /nfs/dbraw/zinc/08/01/76/212080176.db2.gz CGNISXONYMDEMH-UHFFFAOYSA-N 1 1 339.277 2.746 50 0 EFAAMO Brc1cccc(C[NH+]2CCC(N3CCOCC3)CC2)c1 ZINC000019868499 212077614 /nfs/dbraw/zinc/07/76/14/212077614.db2.gz YFQOFIJBMYVDPB-UHFFFAOYSA-N 1 1 339.277 2.746 50 0 EFAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cnn3ccccc23)CC1 ZINC000077522741 216927319 /nfs/dbraw/zinc/92/73/19/216927319.db2.gz SSDXFOXNHQDPGC-UHFFFAOYSA-N 1 1 334.423 2.601 50 0 EFAAMO CC(=O)c1cccc(CN2CCC[C@H](N(C)CCC[NH+](C)C)C2)c1 ZINC000019744466 212060353 /nfs/dbraw/zinc/06/03/53/212060353.db2.gz LDTQUWSQAKMFQE-FQEVSTJZSA-N 1 1 331.504 2.737 50 0 EFAAMO COc1ccc(F)c(CN2CC[N@@H+](CCC(C)C)[C@@H](CCO)C2)c1 ZINC000019742830 212060112 /nfs/dbraw/zinc/06/01/12/212060112.db2.gz QAWPBASEYNSNAD-KRWDZBQOSA-N 1 1 338.467 2.749 50 0 EFAAMO O=C(NCCC[NH+]1CCOCC1)Nc1cccc(C(F)(F)F)c1 ZINC000019681794 212054180 /nfs/dbraw/zinc/05/41/80/212054180.db2.gz NZFZWYWUXYAQDR-UHFFFAOYSA-N 1 1 331.338 2.549 50 0 EFAAMO COc1ccc(-c2nc(C[N@H+](C)[C@@H]3CCOC3)c(C)o2)c(OC)c1 ZINC000019595216 212050436 /nfs/dbraw/zinc/05/04/36/212050436.db2.gz ANIHLRDMSALESP-CYBMUJFWSA-N 1 1 332.400 2.888 50 0 EFAAMO COc1ccc(-c2nc(C[N@@H+](C)[C@@H]3CCOC3)c(C)o2)c(OC)c1 ZINC000019595216 212050437 /nfs/dbraw/zinc/05/04/37/212050437.db2.gz ANIHLRDMSALESP-CYBMUJFWSA-N 1 1 332.400 2.888 50 0 EFAAMO COc1cccc([C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000049420878 214007148 /nfs/dbraw/zinc/00/71/48/214007148.db2.gz AXLTZXBVULPBIT-LJQANCHMSA-N 1 1 330.403 2.690 50 0 EFAAMO COc1ccc([C@H](O)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1F ZINC000019229398 212007784 /nfs/dbraw/zinc/00/77/84/212007784.db2.gz RDWKKDSOTUKQKO-XLIONFOSSA-N 1 1 345.414 2.984 50 0 EFAAMO c1c[nH]c(C[N@H+]2CCC[C@@H](Cn3cc(C4CCCCC4)nn3)C2)n1 ZINC000019145463 212002236 /nfs/dbraw/zinc/00/22/36/212002236.db2.gz CELDYGKDIZDARN-OAHLLOKOSA-N 1 1 328.464 2.961 50 0 EFAAMO c1c[nH]c(C[N@@H+]2CCC[C@@H](Cn3cc(C4CCCCC4)nn3)C2)n1 ZINC000019145463 212002240 /nfs/dbraw/zinc/00/22/40/212002240.db2.gz CELDYGKDIZDARN-OAHLLOKOSA-N 1 1 328.464 2.961 50 0 EFAAMO COCCC[N@H+]1CC[C@H](CNC(=O)c2cc3cc(F)ccc3o2)C1 ZINC000426424223 247280098 /nfs/dbraw/zinc/28/00/98/247280098.db2.gz IIDAHOAGQUCVCW-CYBMUJFWSA-N 1 1 334.391 2.660 50 0 EFAAMO COc1ccccc1N1CC[N@H+](C[C@@H]2CCOC(C)(C)C2)CC1=O ZINC000426484427 247286223 /nfs/dbraw/zinc/28/62/23/247286223.db2.gz JUBZXXYIFZYFRL-OAHLLOKOSA-N 1 1 332.444 2.549 50 0 EFAAMO COc1ccccc1N1CC[N@@H+](C[C@@H]2CCOC(C)(C)C2)CC1=O ZINC000426484427 247286227 /nfs/dbraw/zinc/28/62/27/247286227.db2.gz JUBZXXYIFZYFRL-OAHLLOKOSA-N 1 1 332.444 2.549 50 0 EFAAMO Cc1ccc2nc(CNC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)[nH]c2c1 ZINC000426492741 247286512 /nfs/dbraw/zinc/28/65/12/247286512.db2.gz DKTUXQNLDQCVDC-OAHLLOKOSA-N 1 1 341.459 2.641 50 0 EFAAMO CC(C)[N@H+]1CCC[C@@H](C(=O)N2CCC(Cc3cccnc3)CC2)C1 ZINC000426486068 247286766 /nfs/dbraw/zinc/28/67/66/247286766.db2.gz TUGRMKWAXVTXAL-LJQANCHMSA-N 1 1 329.488 2.983 50 0 EFAAMO CCOc1ccccc1C[N@H+]1CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12 ZINC000426504483 247288254 /nfs/dbraw/zinc/28/82/54/247288254.db2.gz MRLRFWLCHYPZSO-YSIASYRMSA-N 1 1 349.471 2.606 50 0 EFAAMO Cc1ccc(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)cc1OCC[NH3+] ZINC000426515831 247290025 /nfs/dbraw/zinc/29/00/25/247290025.db2.gz ZWHTZSYQKFSEPP-UHFFFAOYSA-N 1 1 344.459 2.625 50 0 EFAAMO O=C(NC[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CCSCC1 ZINC000426727383 247294196 /nfs/dbraw/zinc/29/41/96/247294196.db2.gz HWCFMFCEMFVDLQ-SFHVURJKSA-N 1 1 347.528 2.700 50 0 EFAAMO O=C(CC[C@@H]1CCC[N@H+](C2CSCCSC2)C1)NC1CC1 ZINC000012437908 211381152 /nfs/dbraw/zinc/38/11/52/211381152.db2.gz UUXTVPNMOUWNIL-ZDUSSCGKSA-N 1 1 328.547 2.606 50 0 EFAAMO O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000012308267 211341498 /nfs/dbraw/zinc/34/14/98/211341498.db2.gz LTDXMMHCKOZATG-LJQANCHMSA-N 1 1 347.422 2.870 50 0 EFAAMO O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCC[N@H+]1Cc1cccnc1 ZINC000012308267 211341505 /nfs/dbraw/zinc/34/15/05/211341505.db2.gz LTDXMMHCKOZATG-LJQANCHMSA-N 1 1 347.422 2.870 50 0 EFAAMO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](CC4CC4)C3)C2=O)c1 ZINC000012373116 211359009 /nfs/dbraw/zinc/35/90/09/211359009.db2.gz KQHPSNWLLDSTTF-FQEVSTJZSA-N 1 1 328.456 2.920 50 0 EFAAMO CSC[C@@H](C)[N@H+]1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 ZINC000012300264 211336614 /nfs/dbraw/zinc/33/66/14/211336614.db2.gz OIZGBLGBANPPHS-LLVKDONJSA-N 1 1 331.441 2.915 50 0 EFAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)Cc2cc[nH]n2)C1 ZINC000012305743 211340266 /nfs/dbraw/zinc/34/02/66/211340266.db2.gz ZJJOJLLLZDXDRO-KRWDZBQOSA-N 1 1 342.487 2.805 50 0 EFAAMO COCCN1CCC[C@@]2(CC[N@@H+](Cc3cc4ccccc4o3)C2)C1=O ZINC000012297943 211337028 /nfs/dbraw/zinc/33/70/28/211337028.db2.gz JAVCPXSBBOXIRK-FQEVSTJZSA-N 1 1 342.439 2.894 50 0 EFAAMO CC(C)c1nnc2n1CC[N@@H+](Cc1cccn1-c1ccccn1)CC2 ZINC000012130636 211301082 /nfs/dbraw/zinc/30/10/82/211301082.db2.gz BHXXJYJPKCDCGH-UHFFFAOYSA-N 1 1 336.443 2.646 50 0 EFAAMO CC(C)c1nnc2n1CC[N@H+](Cc1cccn1-c1ccccn1)CC2 ZINC000012130636 211301085 /nfs/dbraw/zinc/30/10/85/211301085.db2.gz BHXXJYJPKCDCGH-UHFFFAOYSA-N 1 1 336.443 2.646 50 0 EFAAMO O=C(CCN1CCCCC1=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000011998875 211278287 /nfs/dbraw/zinc/27/82/87/211278287.db2.gz WQAUBGYZMVBFID-SFHVURJKSA-N 1 1 349.519 2.550 50 0 EFAAMO Cc1ccc2[nH]c(C[NH2+][C@@H](C)c3cn4ncsc4n3)cc(=O)c2c1 ZINC000091351014 217997032 /nfs/dbraw/zinc/99/70/32/217997032.db2.gz UBESYOPDZIXDEI-NSHDSACASA-N 1 1 339.424 2.792 50 0 EFAAMO C[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000091411872 218002536 /nfs/dbraw/zinc/00/25/36/218002536.db2.gz SPVARHQPOAIAKF-KRWDZBQOSA-N 1 1 348.512 2.680 50 0 EFAAMO COCCN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000091426064 218004437 /nfs/dbraw/zinc/00/44/37/218004437.db2.gz PNSFTIJUDAXBQU-RBUKOAKNSA-N 1 1 330.472 2.879 50 0 EFAAMO COCC[C@]1(O)CC[N@@H+](CC2=Cc3cccc(OC)c3OC2)C[C@H]1C ZINC000091434863 218004891 /nfs/dbraw/zinc/00/48/91/218004891.db2.gz QHYYHVPYFHBXRR-FOIQADDNSA-N 1 1 347.455 2.580 50 0 EFAAMO COc1ccc(C)cc1C(=O)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000091434529 218004907 /nfs/dbraw/zinc/00/49/07/218004907.db2.gz HVGSOHBPKKXHGB-IAGOWNOFSA-N 1 1 328.456 2.950 50 0 EFAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1cccc(C(F)(F)F)c1)C2 ZINC000091460837 218009793 /nfs/dbraw/zinc/00/97/93/218009793.db2.gz VICJBHAKGFNMOZ-DZGCQCFKSA-N 1 1 326.362 2.801 50 0 EFAAMO C[C@@H]([NH2+]Cc1cc(=O)c2cccc(F)c2[nH]1)c1cn2ncsc2n1 ZINC000091461656 218009990 /nfs/dbraw/zinc/00/99/90/218009990.db2.gz VQCAFXVLSZDOIB-SECBINFHSA-N 1 1 343.387 2.622 50 0 EFAAMO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccco1 ZINC000011905220 211266628 /nfs/dbraw/zinc/26/66/28/211266628.db2.gz PLDMBJZYTNDLBP-OAHLLOKOSA-N 1 1 325.368 2.967 50 0 EFAAMO Cc1cc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)no1 ZINC000091476363 218012170 /nfs/dbraw/zinc/01/21/70/218012170.db2.gz WJVIOLCXUONXNU-IAGOWNOFSA-N 1 1 325.412 2.720 50 0 EFAAMO CCCc1cc(C(=O)NCC[N@H+]2CCC[C@@H](c3ccccc3)C2)[nH]n1 ZINC000091624572 218033211 /nfs/dbraw/zinc/03/32/11/218033211.db2.gz LOTRJQTXGZZHEN-QGZVFWFLSA-N 1 1 340.471 2.972 50 0 EFAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000011821546 211251290 /nfs/dbraw/zinc/25/12/90/211251290.db2.gz CBXKMQBLDFUARP-IBGZPJMESA-N 1 1 347.422 2.870 50 0 EFAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@H+]1Cc1ccncc1 ZINC000011821546 211251292 /nfs/dbraw/zinc/25/12/92/211251292.db2.gz CBXKMQBLDFUARP-IBGZPJMESA-N 1 1 347.422 2.870 50 0 EFAAMO CCn1nccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000091505792 218015980 /nfs/dbraw/zinc/01/59/80/218015980.db2.gz NDMAPYLSLUMWHA-ZWKOTPCHSA-N 1 1 338.455 2.640 50 0 EFAAMO Cn1c(Cn2ccnc2)nnc1[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000091519092 218017137 /nfs/dbraw/zinc/01/71/37/218017137.db2.gz GHOBTEKTCSTWRK-HNNXBMFYSA-N 1 1 328.464 2.572 50 0 EFAAMO COCCC[C@@]1(CO)CCC[N@@H+](Cc2ccc(F)c(OC)c2)C1 ZINC000091562960 218022982 /nfs/dbraw/zinc/02/29/82/218022982.db2.gz KFNMHZATQRCJAE-SFHVURJKSA-N 1 1 325.424 2.835 50 0 EFAAMO CCOC(=O)[C@@]1(CCOC)CCC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000011842037 211256071 /nfs/dbraw/zinc/25/60/71/211256071.db2.gz KJJBMLVJJODFFI-LJQANCHMSA-N 1 1 349.427 2.597 50 0 EFAAMO C[N@@H+](CCc1ccccn1)[C@H]1CCCN(C(=O)Cc2ccsc2)C1 ZINC000011843739 211255765 /nfs/dbraw/zinc/25/57/65/211255765.db2.gz UPQVCFKBCDGWOL-SFHVURJKSA-N 1 1 343.496 2.851 50 0 EFAAMO CC(C)CN(C)c1ccc(C(=O)NCC[C@H]2CCCC[N@H+]2C)cn1 ZINC000011838879 211254374 /nfs/dbraw/zinc/25/43/74/211254374.db2.gz LWKSVJWOEVVTEW-QGZVFWFLSA-N 1 1 332.492 2.778 50 0 EFAAMO CCC[C@@H](C)C[N@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000091596156 218028968 /nfs/dbraw/zinc/02/89/68/218028968.db2.gz BZMKYLJTSUZYRT-OAHLLOKOSA-N 1 1 332.492 2.941 50 0 EFAAMO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000091691625 218047618 /nfs/dbraw/zinc/04/76/18/218047618.db2.gz KSWAWCLGGIVDBA-JKSUJKDBSA-N 1 1 348.443 2.575 50 0 EFAAMO CCn1nc(CC(C)C)cc1C(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000091695783 218050058 /nfs/dbraw/zinc/05/00/58/218050058.db2.gz PGPHGHMAULMZFE-SFHVURJKSA-N 1 1 340.471 2.888 50 0 EFAAMO CNC(=O)C1CC[NH+](Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000091695174 218050463 /nfs/dbraw/zinc/05/04/63/218050463.db2.gz GXWXTHIZIVOLRV-UHFFFAOYSA-N 1 1 335.757 2.712 50 0 EFAAMO CCCc1cc(C(=O)NCC[N@H+]2CC[C@H](c3ccccc3C)C2)[nH]n1 ZINC000091707088 218051256 /nfs/dbraw/zinc/05/12/56/218051256.db2.gz IXNXQPZARWHMNH-INIZCTEOSA-N 1 1 340.471 2.890 50 0 EFAAMO OCc1ccc(C[C@H]2CC[N@@H+](Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000091645499 218038830 /nfs/dbraw/zinc/03/88/30/218038830.db2.gz PONJZEBJUQTEKM-GOSISDBHSA-N 1 1 325.408 2.972 50 0 EFAAMO COc1ccc(F)cc1C[N@H+]1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000091656503 218040836 /nfs/dbraw/zinc/04/08/36/218040836.db2.gz COYSMPVGNNIZLM-KUHUBIRLSA-N 1 1 337.435 2.834 50 0 EFAAMO COc1ccc([C@@H]2C[N@H+](Cc3csc(C)n3)C[C@H]2NC(C)=O)cc1 ZINC000091724491 218053965 /nfs/dbraw/zinc/05/39/65/218053965.db2.gz NRVSNSOJIJKSBS-ZWKOTPCHSA-N 1 1 345.468 2.564 50 0 EFAAMO COc1ccc([C@@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]2NC(C)=O)cc1 ZINC000091724491 218053967 /nfs/dbraw/zinc/05/39/67/218053967.db2.gz NRVSNSOJIJKSBS-ZWKOTPCHSA-N 1 1 345.468 2.564 50 0 EFAAMO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC=C(C)C)cc1O ZINC000091757757 218061814 /nfs/dbraw/zinc/06/18/14/218061814.db2.gz LLMUERKCYLTVCX-DLBZAZTESA-N 1 1 344.455 2.790 50 0 EFAAMO COc1cccc([C@H]2C[N@@H+](C)C[C@@H]2NC(=O)CCC(F)(F)F)c1 ZINC000091792693 218066887 /nfs/dbraw/zinc/06/68/87/218066887.db2.gz JHADYVIPWSESRL-KGLIPLIRSA-N 1 1 330.350 2.552 50 0 EFAAMO CC(C)[C@@H]1C[N@@H+](Cc2cc3ccccc3n(C)c2=O)C[C@H]1N(C)C ZINC000091943905 218092419 /nfs/dbraw/zinc/09/24/19/218092419.db2.gz LJLHWOZEAJYURQ-PKOBYXMFSA-N 1 1 327.472 2.557 50 0 EFAAMO CC(C)[C@@H]1CN(Cc2cc3ccccc3n(C)c2=O)C[C@H]1[NH+](C)C ZINC000091943905 218092422 /nfs/dbraw/zinc/09/24/22/218092422.db2.gz LJLHWOZEAJYURQ-PKOBYXMFSA-N 1 1 327.472 2.557 50 0 EFAAMO Cc1nccc(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)n1 ZINC000091848325 218077206 /nfs/dbraw/zinc/07/72/06/218077206.db2.gz GLBFLXUZJKDUGH-KRWDZBQOSA-N 1 1 334.427 2.809 50 0 EFAAMO Cc1nnc(C[N@@H+]2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)[nH]1 ZINC000091859639 218077940 /nfs/dbraw/zinc/07/79/40/218077940.db2.gz LMPSXCRFQHTOEW-GOSISDBHSA-N 1 1 328.416 2.687 50 0 EFAAMO Cc1nnc(C[N@H+]2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)[nH]1 ZINC000091859639 218077943 /nfs/dbraw/zinc/07/79/43/218077943.db2.gz LMPSXCRFQHTOEW-GOSISDBHSA-N 1 1 328.416 2.687 50 0 EFAAMO CCCc1cc(C(=O)N[C@@H](C)C[N@H+]2CCc3ccccc3C2)[nH]n1 ZINC000091966320 218097374 /nfs/dbraw/zinc/09/73/74/218097374.db2.gz JGPDRKAAKBXBJU-AWEZNQCLSA-N 1 1 326.444 2.539 50 0 EFAAMO C[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1c(-c3ccccc3)nc3ncccn13)C2 ZINC000091985449 218098293 /nfs/dbraw/zinc/09/82/93/218098293.db2.gz GQWWXSWUNSFTRW-SJLPKXTDSA-N 1 1 347.466 2.922 50 0 EFAAMO O=C(C1CCOCC1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000091997279 218100455 /nfs/dbraw/zinc/10/04/55/218100455.db2.gz ZKNDMMXNKFOSEE-IEBWSBKVSA-N 1 1 328.456 2.536 50 0 EFAAMO CNc1cc[nH+]c(N2CCC(c3nccn3Cc3cccnc3)CC2)n1 ZINC000092038126 218107471 /nfs/dbraw/zinc/10/74/71/218107471.db2.gz XAJSDIULJVQSGF-UHFFFAOYSA-N 1 1 349.442 2.542 50 0 EFAAMO COCC[C@]1(O)CC[N@H+](Cc2c(F)c(F)ccc2OC)C[C@H]1C ZINC000091951457 218093196 /nfs/dbraw/zinc/09/31/96/218093196.db2.gz QRXASPJSZNTBPK-SJKOYZFVSA-N 1 1 329.387 2.583 50 0 EFAAMO COCC[C@]1(O)CC[N@@H+](Cc2c(F)c(F)ccc2OC)C[C@H]1C ZINC000091951457 218093197 /nfs/dbraw/zinc/09/31/97/218093197.db2.gz QRXASPJSZNTBPK-SJKOYZFVSA-N 1 1 329.387 2.583 50 0 EFAAMO C[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)CC[C@@]1(O)C1CCOCC1 ZINC000092081605 218117250 /nfs/dbraw/zinc/11/72/50/218117250.db2.gz CVUZHLVKCQZNIK-BEFAXECRSA-N 1 1 337.435 2.704 50 0 EFAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCn1cnc3ccccc31)C2 ZINC000092062512 218113333 /nfs/dbraw/zinc/11/33/33/218113333.db2.gz FLFWKPLBEHJJLH-IAGOWNOFSA-N 1 1 340.471 2.759 50 0 EFAAMO COc1ccc(Nc2nc(N)nc(C[N@@H+]3CCCC[C@@H]3C)n2)cc1 ZINC000009483758 211090602 /nfs/dbraw/zinc/09/06/02/211090602.db2.gz WKQDXEGWXKPGOT-LBPRGKRZSA-N 1 1 328.420 2.580 50 0 EFAAMO COc1ccc(Nc2nc(N)nc(C[N@H+]3CCCC[C@@H]3C)n2)cc1 ZINC000009483758 211090605 /nfs/dbraw/zinc/09/06/05/211090605.db2.gz WKQDXEGWXKPGOT-LBPRGKRZSA-N 1 1 328.420 2.580 50 0 EFAAMO Cc1cc(=O)n2c(n1)NC(NCc1ccco1)=[NH+][C@@H]2[C@@H]1CC=CCC1 ZINC000009426317 211083009 /nfs/dbraw/zinc/08/30/09/211083009.db2.gz YWJPGDKBNKRENO-CJNGLKHVSA-N 1 1 339.399 2.571 50 0 EFAAMO O=C(Nc1ccccc1Cl)[C@H]1C=C(O)NC(Nc2ccccc2)=[NH+]1 ZINC000009355694 211073757 /nfs/dbraw/zinc/07/37/57/211073757.db2.gz SAMBJBZLKHCNSB-CQSZACIVSA-N 1 1 342.786 2.635 50 0 EFAAMO Cc1csc(CCCNC(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC000095353542 218287219 /nfs/dbraw/zinc/28/72/19/218287219.db2.gz PZXUVDOWQYXJTD-INIZCTEOSA-N 1 1 335.448 2.942 50 0 EFAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)NCCc1cn2ccsc2n1 ZINC000095353379 218287314 /nfs/dbraw/zinc/28/73/14/218287314.db2.gz YORMMLMZWFNWRD-LBPRGKRZSA-N 1 1 331.445 2.636 50 0 EFAAMO CCCCn1ccnc1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000095353370 218287392 /nfs/dbraw/zinc/28/73/92/218287392.db2.gz HSBAEJDHAXMRTI-MRXNPFEDSA-N 1 1 329.448 2.594 50 0 EFAAMO COc1cccc(CCNC(=O)[C@H](c2cccnc2)[NH+]2CCCC2)c1 ZINC000095354037 218288280 /nfs/dbraw/zinc/28/82/80/218288280.db2.gz JETBUDAESDASNN-IBGZPJMESA-N 1 1 339.439 2.586 50 0 EFAAMO CCn1nc(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)c2ccccc21 ZINC000095352321 218286080 /nfs/dbraw/zinc/28/60/80/218286080.db2.gz CLMQLSMBTTWABD-HNNXBMFYSA-N 1 1 328.460 2.937 50 0 EFAAMO CCn1nc(C)c(CNC(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)c1C ZINC000095353337 218287030 /nfs/dbraw/zinc/28/70/30/218287030.db2.gz ABTWJUHEDUPRBU-QGZVFWFLSA-N 1 1 332.423 2.578 50 0 EFAAMO CCc1[nH+]ccn1CCC(=O)NC[C@H]1CCOc2ccccc2C1 ZINC000095358316 218292484 /nfs/dbraw/zinc/29/24/84/218292484.db2.gz FJXZYSMXBIIXSS-HNNXBMFYSA-N 1 1 327.428 2.593 50 0 EFAAMO CCOC(=O)c1[nH]c(C)c(C(=O)N2CC([N@H+]3CCCC[C@H]3C)C2)c1C ZINC000095359271 218292698 /nfs/dbraw/zinc/29/26/98/218292698.db2.gz OGNHRODDODZBQT-GFCCVEGCSA-N 1 1 347.459 2.507 50 0 EFAAMO C[NH+]1CCN(Cc2noc([C@]3(c4ccc(F)cc4)CC3(C)C)n2)CC1 ZINC000095359280 218293026 /nfs/dbraw/zinc/29/30/26/218293026.db2.gz ATUYENLOXMWTDY-LJQANCHMSA-N 1 1 344.434 2.672 50 0 EFAAMO O=C(NCCOCc1ccccc1)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095359451 218293568 /nfs/dbraw/zinc/29/35/68/218293568.db2.gz YEUSQWUCZHOILK-GOSISDBHSA-N 1 1 330.472 2.974 50 0 EFAAMO Cn1c(Cn2ccnc2)nnc1[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000095355512 218288976 /nfs/dbraw/zinc/28/89/76/218288976.db2.gz SLEIITSWUODQPN-INIZCTEOSA-N 1 1 342.491 2.962 50 0 EFAAMO CCCCc1nc(C)cc(NCCNC(=O)[C@@H]2CCCCC[N@H+]2C)n1 ZINC000095356030 218289457 /nfs/dbraw/zinc/28/94/57/218289457.db2.gz FZGCSAWPUZXFTM-INIZCTEOSA-N 1 1 347.507 2.530 50 0 EFAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000095369040 218300991 /nfs/dbraw/zinc/30/09/91/218300991.db2.gz SJJYDNRUUUTQFU-CQSZACIVSA-N 1 1 332.423 2.925 50 0 EFAAMO O=C(CCN1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1)N1CCCC1 ZINC000095368999 218300953 /nfs/dbraw/zinc/30/09/53/218300953.db2.gz LKAYHNVWDKVPNZ-VQTJNVASSA-N 1 1 341.499 2.595 50 0 EFAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000095369040 218300994 /nfs/dbraw/zinc/30/09/94/218300994.db2.gz SJJYDNRUUUTQFU-CQSZACIVSA-N 1 1 332.423 2.925 50 0 EFAAMO Cc1n[nH]c(C)c1CCN(C)C(=O)[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000095361589 218294708 /nfs/dbraw/zinc/29/47/08/218294708.db2.gz JLLQWBQLWUQHLL-GOSISDBHSA-N 1 1 328.460 2.639 50 0 EFAAMO CCCc1cc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)[nH]n1 ZINC000095362862 218296036 /nfs/dbraw/zinc/29/60/36/218296036.db2.gz UTZGDXLRZWKSSG-NVXWUHKLSA-N 1 1 330.476 2.699 50 0 EFAAMO CCCc1cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)n[nH]1 ZINC000095362862 218296038 /nfs/dbraw/zinc/29/60/38/218296038.db2.gz UTZGDXLRZWKSSG-NVXWUHKLSA-N 1 1 330.476 2.699 50 0 EFAAMO CCCc1cc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)n[nH]1 ZINC000095362862 218296039 /nfs/dbraw/zinc/29/60/39/218296039.db2.gz UTZGDXLRZWKSSG-NVXWUHKLSA-N 1 1 330.476 2.699 50 0 EFAAMO CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000095369040 218300987 /nfs/dbraw/zinc/30/09/87/218300987.db2.gz SJJYDNRUUUTQFU-CQSZACIVSA-N 1 1 332.423 2.925 50 0 EFAAMO Cc1ccn2cc(CNC(=O)[C@H](c3ccc(F)cc3)[NH+](C)C)nc2c1 ZINC000095370604 218302538 /nfs/dbraw/zinc/30/25/38/218302538.db2.gz NJQLFSRVGPHOOJ-SFHVURJKSA-N 1 1 340.402 2.701 50 0 EFAAMO Cc1nn(CCCNC(=O)[C@@H]2CCCCC[N@@H+]2C)c(C)c1Cl ZINC000095370915 218303662 /nfs/dbraw/zinc/30/36/62/218303662.db2.gz BQQWIPPFHJKPJO-AWEZNQCLSA-N 1 1 326.872 2.534 50 0 EFAAMO COCCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C)C2 ZINC000095371673 218303929 /nfs/dbraw/zinc/30/39/29/218303929.db2.gz VMWCKDUCWSQUOF-GOSISDBHSA-N 1 1 330.472 2.751 50 0 EFAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(Cl)c1)c1ccsc1 ZINC000008896005 211015723 /nfs/dbraw/zinc/01/57/23/211015723.db2.gz IMWPEPZGBSUPIB-CQSZACIVSA-N 1 1 344.889 2.983 50 0 EFAAMO CCCSCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000095387473 218319403 /nfs/dbraw/zinc/31/94/03/218319403.db2.gz LWGIHELJBWUTPV-DLBZAZTESA-N 1 1 333.501 2.648 50 0 EFAAMO CCCCSc1nc(N2CCC(N3CCCC3=O)CC2)cc(N)[nH+]1 ZINC000095387634 218319624 /nfs/dbraw/zinc/31/96/24/218319624.db2.gz 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330.407 2.630 50 0 EFAAMO CCOc1ccc2nc(C[N@@H+]3CCCC[C@@H]3C(=O)NC)ccc2c1 ZINC000097295308 219010256 /nfs/dbraw/zinc/01/02/56/219010256.db2.gz DDKXTJVQIRHJSJ-GOSISDBHSA-N 1 1 327.428 2.734 50 0 EFAAMO CCOc1ccc2nc(C[N@H+]3CCCC[C@@H]3C(=O)NC)ccc2c1 ZINC000097295308 219010258 /nfs/dbraw/zinc/01/02/58/219010258.db2.gz DDKXTJVQIRHJSJ-GOSISDBHSA-N 1 1 327.428 2.734 50 0 EFAAMO CC(=O)c1cc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000097413194 219022855 /nfs/dbraw/zinc/02/28/55/219022855.db2.gz JNOQPKYYRDOUJI-KRWDZBQOSA-N 1 1 342.464 2.884 50 0 EFAAMO COCC1(C(=O)NC[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC000097551221 219034761 /nfs/dbraw/zinc/03/47/61/219034761.db2.gz SZEKQHWPXISLLY-LJQANCHMSA-N 1 1 344.499 2.874 50 0 EFAAMO S=C(NCc1ccco1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000004750150 210270018 /nfs/dbraw/zinc/27/00/18/210270018.db2.gz HZPOOOWLUHUABG-UHFFFAOYSA-N 1 1 329.469 2.514 50 0 EFAAMO Cc1[nH+]ccn1CCCNC(=O)N1CCCC[C@@H]1c1ccccn1 ZINC000426691101 257958611 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CCc1[nH+]ccn1CC1(CNC(=O)c2ccccc2-n2cccn2)CC1 ZINC000299770778 258083735 /nfs/dbraw/zinc/08/37/35/258083735.db2.gz RGMJQZZXHJWYGS-UHFFFAOYSA-N 1 1 349.438 2.841 50 0 EFAAMO COCCOCc1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299773383 258085425 /nfs/dbraw/zinc/08/54/25/258085425.db2.gz GMCCXRGYNSPRJF-BBWFWOEESA-N 1 1 343.427 2.926 50 0 EFAAMO COc1ccc([C@H](NC(=O)Cn2cc[nH+]c2C)c2ccncc2)cc1 ZINC000299775267 258086146 /nfs/dbraw/zinc/08/61/46/258086146.db2.gz AZVRVYBXDYFPRQ-IBGZPJMESA-N 1 1 336.395 2.501 50 0 EFAAMO CO[C@H]1CC[C@@]2(OC)CC[N@@H+](Cc3c(C)nc4ccccn43)[C@H]2C1 ZINC000299783041 258091113 /nfs/dbraw/zinc/09/11/13/258091113.db2.gz IIHMKVOONDJJNO-VDZJLULYSA-N 1 1 329.444 2.801 50 0 EFAAMO O=C(Nc1ccc(Cl)nc1)NC1(C[NH+]2CCOCC2)CCCC1 ZINC000299786621 258093711 /nfs/dbraw/zinc/09/37/11/258093711.db2.gz WWYMTEJOOHZISX-UHFFFAOYSA-N 1 1 338.839 2.502 50 0 EFAAMO CCCn1nccc1C(=O)NCC[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000299787895 258094207 /nfs/dbraw/zinc/09/42/07/258094207.db2.gz 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ZINC000299791647 258097362 /nfs/dbraw/zinc/09/73/62/258097362.db2.gz DWMCXFSGWOUFEC-ZDUSSCGKSA-N 1 1 348.476 2.536 50 0 EFAAMO CO[C@]12CC[N@@H+](Cc3c[nH]nc3-c3ccccc3)[C@H]1C[C@H](O)CC2 ZINC000299793009 258097879 /nfs/dbraw/zinc/09/78/79/258097879.db2.gz INCPFBVDLVDDEQ-ZIFCJYIRSA-N 1 1 327.428 2.581 50 0 EFAAMO CO[C@]12CC[N@@H+](CCc3nc4c(ccc(C)c4C)[nH]3)[C@H]1C[C@@H](O)CC2 ZINC000299795216 258099740 /nfs/dbraw/zinc/09/97/40/258099740.db2.gz KMFAZQWKAZIVTG-RIFZZMRRSA-N 1 1 343.471 2.727 50 0 EFAAMO CO[C@]12CC[N@H+](CCc3nc4ccc(C)c(C)c4[nH]3)[C@H]1C[C@@H](O)CC2 ZINC000299795216 258099742 /nfs/dbraw/zinc/09/97/42/258099742.db2.gz KMFAZQWKAZIVTG-RIFZZMRRSA-N 1 1 343.471 2.727 50 0 EFAAMO CO[C@]12CC[N@@H+](CCc3nc4ccc(C)c(C)c4[nH]3)[C@H]1C[C@@H](O)CC2 ZINC000299795216 258099743 /nfs/dbraw/zinc/09/97/43/258099743.db2.gz KMFAZQWKAZIVTG-RIFZZMRRSA-N 1 1 343.471 2.727 50 0 EFAAMO COCC1(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)CC1 ZINC000299795517 258099793 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C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000000616977 273805200 /nfs/dbraw/zinc/80/52/00/273805200.db2.gz XXFLGWVLMQTFPL-INIZCTEOSA-N 1 1 338.860 2.921 50 0 EFAAMO COc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@H]4CCCC[C@H]43)C2=O)cc1 ZINC000239432910 274112909 /nfs/dbraw/zinc/11/29/09/274112909.db2.gz WWHFQRGCCRXFNB-OLMNPRSZSA-N 1 1 342.439 2.982 50 0 EFAAMO Cc1[nH+]ccn1-c1ccccc1-c1nc2c([nH]1)C(=O)NCC(C)(C)C2 ZINC000095384976 274859708 /nfs/dbraw/zinc/85/97/08/274859708.db2.gz FDTQLXDVEBWGLC-UHFFFAOYSA-N 1 1 335.411 2.883 50 0 EFAAMO O=c1c2cnccc2ncn1CC[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000032577799 275043423 /nfs/dbraw/zinc/04/34/23/275043423.db2.gz UJTVFPVULRXZGW-MRXNPFEDSA-N 1 1 326.444 2.979 50 0 EFAAMO c1ccc2c(c1)C[C@@H](C[NH+]1CCC(CN3CCOCC3)CC1)CCO2 ZINC000095528399 275070252 /nfs/dbraw/zinc/07/02/52/275070252.db2.gz UCBCYETYKYOQBX-IBGZPJMESA-N 1 1 344.499 2.672 50 0 EFAAMO CC1(C)CCCN1Cc1cn(C2CC[NH+]([C@H]3CCSC3)CC2)nn1 ZINC000023379900 276106213 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CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(-c2cccc(Cl)c2)nn1C ZINC000095476002 473211278 /nfs/dbraw/zinc/21/12/78/473211278.db2.gz YNXOUDNCMVYBNP-HNNXBMFYSA-N 1 1 346.862 2.955 50 0 EFAAMO CC(C)n1ccc2c1cccc2C(=O)NCCC[NH+]1CCOCC1 ZINC000095476664 473211313 /nfs/dbraw/zinc/21/13/13/473211313.db2.gz UFWYRIGXZBOSHN-UHFFFAOYSA-N 1 1 329.444 2.674 50 0 EFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CCOC)c2ccccc12 ZINC000095474525 473211968 /nfs/dbraw/zinc/21/19/68/473211968.db2.gz CSEFWAAJNNJZNA-OAHLLOKOSA-N 1 1 329.444 2.502 50 0 EFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1c(C)[nH]nc1-c1ccc(F)cc1 ZINC000095480848 473212353 /nfs/dbraw/zinc/21/23/53/473212353.db2.gz HRHUFYDCOPJHIY-MRXNPFEDSA-N 1 1 344.434 2.667 50 0 EFAAMO CN(C)c1cncc(N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)n1 ZINC000095496838 473213039 /nfs/dbraw/zinc/21/30/39/473213039.db2.gz SPCKWCTXTQZWRS-HNNXBMFYSA-N 1 1 326.448 2.533 50 0 EFAAMO Cc1nn(C)c2nc(NC3CC[NH+](Cc4cccnc4)CC3)sc12 ZINC000095499859 473213979 /nfs/dbraw/zinc/21/39/79/473213979.db2.gz 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CCc1nnc(CNC(=O)C[N@H+]2CCC[C@@H](c3ccccc3)C2)s1 ZINC000095520130 473219325 /nfs/dbraw/zinc/21/93/25/473219325.db2.gz VFXGJJQWUCPVBH-OAHLLOKOSA-N 1 1 344.484 2.596 50 0 EFAAMO OC1CCN(C2CC[NH+](C[C@@H]3CCOc4ccccc4C3)CC2)CC1 ZINC000095525377 473219745 /nfs/dbraw/zinc/21/97/45/473219745.db2.gz RTJUYZGOQQETCF-QGZVFWFLSA-N 1 1 344.499 2.549 50 0 EFAAMO OC1CC[NH+](C2CCN(C[C@@H]3CCOc4ccccc4C3)CC2)CC1 ZINC000095525377 473219749 /nfs/dbraw/zinc/21/97/49/473219749.db2.gz RTJUYZGOQQETCF-QGZVFWFLSA-N 1 1 344.499 2.549 50 0 EFAAMO CC(C)[N@H+]1CCC[C@H](C(=O)NCCc2noc(C3CCCC3)n2)C1 ZINC000095522828 473220318 /nfs/dbraw/zinc/22/03/18/473220318.db2.gz ZJMJOXJVFMOZFI-HNNXBMFYSA-N 1 1 334.464 2.506 50 0 EFAAMO Cc1ccc([C@@H]2C[N@@H+](Cc3ccc(N(C)C)nc3)C[C@H]2N(C)C)cc1 ZINC000095530174 473222439 /nfs/dbraw/zinc/22/24/39/473222439.db2.gz QHQIQTCERXLILQ-VQTJNVASSA-N 1 1 338.499 2.986 50 0 EFAAMO Cc1ccc([C@@H]2C[N@H+](Cc3ccc(N(C)C)nc3)C[C@H]2N(C)C)cc1 ZINC000095530174 473222442 /nfs/dbraw/zinc/22/24/42/473222442.db2.gz QHQIQTCERXLILQ-VQTJNVASSA-N 1 1 338.499 2.986 50 0 EFAAMO CCC[C@@H]1CN(C(=O)c2cc(-c3ccccc3O)[nH]n2)C[C@H]1[NH+](C)C ZINC000095531346 473222559 /nfs/dbraw/zinc/22/25/59/473222559.db2.gz NZTYYRGXJMHZLG-CXAGYDPISA-N 1 1 342.443 2.585 50 0 EFAAMO O=C1CC[C@@]2(CCC[N@H+](C3CCCC3)C2)CN1CCc1c[nH]cn1 ZINC000082106116 473289643 /nfs/dbraw/zinc/28/96/43/473289643.db2.gz KARKCHUJDQRTLA-LJQANCHMSA-N 1 1 330.476 2.599 50 0 EFAAMO O=C1CC[C@@]2(CCC[N@@H+](C3CCCC3)C2)CN1CCc1cnc[nH]1 ZINC000082106116 473289648 /nfs/dbraw/zinc/28/96/48/473289648.db2.gz KARKCHUJDQRTLA-LJQANCHMSA-N 1 1 330.476 2.599 50 0 EFAAMO O=C1CC[C@@]2(CCC[N@H+](C3CCCC3)C2)CN1CCc1cnc[nH]1 ZINC000082106116 473289655 /nfs/dbraw/zinc/28/96/55/473289655.db2.gz KARKCHUJDQRTLA-LJQANCHMSA-N 1 1 330.476 2.599 50 0 EFAAMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)s1 ZINC000082109162 473290930 /nfs/dbraw/zinc/29/09/30/473290930.db2.gz SQBJEEDNRLQFKW-GOSISDBHSA-N 1 1 336.501 2.644 50 0 EFAAMO O=C(NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2)N1CCCC1 ZINC000082120923 473291735 /nfs/dbraw/zinc/29/17/35/473291735.db2.gz GUUVVECNNSRWMG-UHFFFAOYSA-N 1 1 345.491 2.727 50 0 EFAAMO Cc1ncsc1CCC(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000082120180 473292203 /nfs/dbraw/zinc/29/22/03/473292203.db2.gz VYJMMKGPPMCTJI-UHFFFAOYSA-N 1 1 344.484 2.514 50 0 EFAAMO Cc1ncsc1CCC(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000082120180 473292210 /nfs/dbraw/zinc/29/22/10/473292210.db2.gz VYJMMKGPPMCTJI-UHFFFAOYSA-N 1 1 344.484 2.514 50 0 EFAAMO O=C(NCc1cc2n(n1)CCC[N@@H+](C[C@H]1CC=CCC1)C2)C1CCC1 ZINC000082136705 473294762 /nfs/dbraw/zinc/29/47/62/473294762.db2.gz VXHCSNIHEAZTBR-INIZCTEOSA-N 1 1 342.487 2.861 50 0 EFAAMO Cc1cc2cc(NC(=O)NCC[N@H+]3CCC[C@@H](CO)C3)ccc2o1 ZINC000096132045 473309921 /nfs/dbraw/zinc/30/99/21/473309921.db2.gz FHPIXTOQCHQMTB-CQSZACIVSA-N 1 1 331.416 2.567 50 0 EFAAMO CCc1nn(C)c(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1C ZINC000096142165 473312756 /nfs/dbraw/zinc/31/27/56/473312756.db2.gz 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COc1ccc([C@H](O)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1F ZINC000019229394 212007147 /nfs/dbraw/zinc/00/71/47/212007147.db2.gz RDWKKDSOTUKQKO-PXNSSMCTSA-N 1 1 345.414 2.984 50 0 EFAAMO CO[C@]12CC[N@@H+](Cc3ccc(C)s3)[C@H]1C[C@@H](OCCO)CC2 ZINC000426383806 247272115 /nfs/dbraw/zinc/27/21/15/247272115.db2.gz JXZQPDBDXJKHAU-BHYGNILZSA-N 1 1 325.474 2.577 50 0 EFAAMO C[C@@H](C(=O)N(Cc1ccsc1)C1CCCC1)N1CC[NH+](C)CC1 ZINC000426399436 247276515 /nfs/dbraw/zinc/27/65/15/247276515.db2.gz QOFFEPQAKKSQKF-HNNXBMFYSA-N 1 1 335.517 2.655 50 0 EFAAMO CCCC[N@H+]1CCn2nc(CNC(=O)c3csc(C)c3)cc2C1 ZINC000426410475 247278284 /nfs/dbraw/zinc/27/82/84/247278284.db2.gz JJCLWTMOULBEQM-UHFFFAOYSA-N 1 1 332.473 2.799 50 0 EFAAMO C[N@@H+]1CCN(C(=O)c2ccc(-c3cccs3)cc2)C[C@H]1CCO ZINC000426465495 247283778 /nfs/dbraw/zinc/28/37/78/247283778.db2.gz SNVRGJZSMPMUEK-MRXNPFEDSA-N 1 1 330.453 2.554 50 0 EFAAMO C[N@H+]1CCN(C(=O)c2ccc(-c3cccs3)cc2)C[C@H]1CCO ZINC000426465495 247283781 /nfs/dbraw/zinc/28/37/81/247283781.db2.gz 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/nfs/dbraw/zinc/08/55/52/258085552.db2.gz AQVBOILPLHACIS-VDZJLULYSA-N 1 1 330.403 2.878 50 0 EFAAMO C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)Cc1nc3ccc(Cl)cc3[nH]1)C2 ZINC000299775697 258086077 /nfs/dbraw/zinc/08/60/77/258086077.db2.gz HEYALWNULHSVOT-FVGIMDHTSA-N 1 1 346.862 2.557 50 0 EFAAMO COCCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc3[nH]ccc3c2)C1 ZINC000299779872 258089121 /nfs/dbraw/zinc/08/91/21/258089121.db2.gz QPRQTUORDQMUHO-AWEZNQCLSA-N 1 1 330.432 2.648 50 0 EFAAMO Cc1cc(CC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)on1 ZINC000299781360 258090187 /nfs/dbraw/zinc/09/01/87/258090187.db2.gz WVOQEPMQUWOGPO-UHFFFAOYSA-N 1 1 341.455 2.693 50 0 EFAAMO COc1ccc([C@@]2(C(=O)NCCn3c[nH+]c(C)c3C)CC2(C)C)cc1 ZINC000299782861 258091043 /nfs/dbraw/zinc/09/10/43/258091043.db2.gz QORMTFHXBICHPW-HXUWFJFHSA-N 1 1 341.455 2.993 50 0 EFAAMO Cc1[nH+]ccn1[C@H](C)CC(=O)NCc1csc(N2CCCC2)n1 ZINC000299786151 258093147 /nfs/dbraw/zinc/09/31/47/258093147.db2.gz WDNHWMPDNHRMBI-GFCCVEGCSA-N 1 1 333.461 2.516 50 0 EFAAMO O=C(CSCC1CC1)N[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000299789522 258095438 /nfs/dbraw/zinc/09/54/38/258095438.db2.gz YXVKTPLIFBLZSL-INIZCTEOSA-N 1 1 334.485 2.616 50 0 EFAAMO O=C(CSCC1CC1)N[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000299789522 258095439 /nfs/dbraw/zinc/09/54/39/258095439.db2.gz YXVKTPLIFBLZSL-INIZCTEOSA-N 1 1 334.485 2.616 50 0 EFAAMO CO[C@]12CC[N@@H+](Cc3cc4ccc(C)cc4[nH]c3=O)[C@H]1C[C@H](O)CC2 ZINC000299789670 258095856 /nfs/dbraw/zinc/09/58/56/258095856.db2.gz ZXJZBTDVFJLVNN-IMFGXOCKSA-N 1 1 342.439 2.753 50 0 EFAAMO C(=C/c1ccccc1)\C[N@H+]1CCn2nc(CNc3cnccn3)cc2C1 ZINC000299797194 258101259 /nfs/dbraw/zinc/10/12/59/258101259.db2.gz QBZWYUGPLRBVLB-QPJJXVBHSA-N 1 1 346.438 2.814 50 0 EFAAMO C(=C/c1ccccc1)\C[N@@H+]1CCn2nc(CNc3cnccn3)cc2C1 ZINC000299797194 258101261 /nfs/dbraw/zinc/10/12/61/258101261.db2.gz QBZWYUGPLRBVLB-QPJJXVBHSA-N 1 1 346.438 2.814 50 0 EFAAMO Cc1n[nH]c(C)c1CC[N@H+](C)C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000299798340 258102252 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C[NH+]1CCN(C2=Nc3ccccc3Nc3sc(CO)cc32)CC1 ZINC000053166256 273896692 /nfs/dbraw/zinc/89/66/92/273896692.db2.gz FPDIERBPQFAFSI-UHFFFAOYSA-N 1 1 328.441 2.623 50 0 world EFAAMO COc1ncccc1NC(=O)N(C)C[C@H]1Cc2ccccc2C[N@H+]1C ZINC000096180358 274170512 /nfs/dbraw/zinc/17/05/12/274170512.db2.gz XNFFREYHMXIMKY-MRXNPFEDSA-N 1 1 340.427 2.611 50 0 EFAAMO CC(C)c1cc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCOCC2)on1 ZINC000067920486 276044128 /nfs/dbraw/zinc/04/41/28/276044128.db2.gz YWOVKWNSABMJDR-OAHLLOKOSA-N 1 1 335.448 2.515 50 0 EFAAMO CC1(C)CNC(=O)c2[nH]c([C@@H]3CC[N@H+](C4CCCCC4)C3)nc2C1 ZINC000095501523 276137847 /nfs/dbraw/zinc/13/78/47/276137847.db2.gz RWCOSWXTCUZDQR-CYBMUJFWSA-N 1 1 330.476 2.844 50 0 EFAAMO CCOCC[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077407457 276318140 /nfs/dbraw/zinc/31/81/40/276318140.db2.gz VIDWLKPIIGVIGJ-OAQYLSRUSA-N 1 1 344.499 2.970 50 0 EFAAMO CC[C@H]([NH2+]CC(=O)Nc1nc(C(C)(C)C)cs1)c1ccnn1C ZINC000065394235 276583868 /nfs/dbraw/zinc/58/38/68/276583868.db2.gz 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ZINC000096180359 278096500 /nfs/dbraw/zinc/09/65/00/278096500.db2.gz XNFFREYHMXIMKY-INIZCTEOSA-N 1 1 340.427 2.611 50 0 EFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cn(CCOC)c2ccccc12 ZINC000095474526 473211507 /nfs/dbraw/zinc/21/15/07/473211507.db2.gz CSEFWAAJNNJZNA-HNNXBMFYSA-N 1 1 329.444 2.502 50 0 EFAAMO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCc2nc(-c3ccccc3)[nH]c2C1 ZINC000095504611 473215469 /nfs/dbraw/zinc/21/54/69/473215469.db2.gz HFNYCFMZTFFSPS-KRWDZBQOSA-N 1 1 346.434 2.531 50 0 EFAAMO Cc1noc(-c2ccc(N3C[C@H]4CC[C@H](C[N@@H+]4CC4CC4)C3)nc2)n1 ZINC000095506222 473215976 /nfs/dbraw/zinc/21/59/76/473215976.db2.gz UDXZBYMYRRTKSQ-NVXWUHKLSA-N 1 1 339.443 2.751 50 0 EFAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)NCCc1ccc2c(c1)OCO2 ZINC000095517380 473217913 /nfs/dbraw/zinc/21/79/13/473217913.db2.gz FXZMSECSQZLKBT-ZDUSSCGKSA-N 1 1 329.400 2.655 50 0 EFAAMO O=C(C[N@H+]1CCC[C@H](c2ccccc2)C1)N1CC(c2ccccn2)C1 ZINC000095515316 473218323 /nfs/dbraw/zinc/21/83/23/473218323.db2.gz UVYNIQOIGWLINF-SFHVURJKSA-N 1 1 335.451 2.887 50 0 EFAAMO Cc1cc(C)nc(CN(C)C(=O)[C@@H](c2cccnc2)[NH+]2CCCC2)c1 ZINC000095521694 473218491 /nfs/dbraw/zinc/21/84/91/473218491.db2.gz APVOQYKZDYYTEZ-LJQANCHMSA-N 1 1 338.455 2.889 50 0 EFAAMO Cc1c[nH]c(C(=O)N(CCc2ccccc2)C[C@H]2CCC[N@H+](C)C2)n1 ZINC000095529776 473221073 /nfs/dbraw/zinc/22/10/73/473221073.db2.gz IWIKEWNTMMJVJG-SFHVURJKSA-N 1 1 340.471 2.745 50 0 EFAAMO CC(C)[N@H+]1CCC[C@H](C(=O)NCCCc2nc3ccccc3n2C)C1 ZINC000095527110 473221342 /nfs/dbraw/zinc/22/13/42/473221342.db2.gz ZDYHLETWELXGKS-INIZCTEOSA-N 1 1 342.487 2.743 50 0 EFAAMO C[C@@H](O)c1cccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000095530453 473221873 /nfs/dbraw/zinc/22/18/73/473221873.db2.gz CCIPODQLAQRISF-OAHLLOKOSA-N 1 1 329.419 2.986 50 0 EFAAMO Cc1ccc(CN(CCO)C(=O)[C@H](C)n2cc[nH+]c2C(C)C)s1 ZINC000095530598 473222356 /nfs/dbraw/zinc/22/23/56/473222356.db2.gz NJQWHNNFHPSHRT-AWEZNQCLSA-N 1 1 335.473 2.959 50 0 EFAAMO COc1ccc(F)c(F)c1C[NH+]1CCC(Cc2nncn2C)CC1 ZINC000082097174 473287674 /nfs/dbraw/zinc/28/76/74/473287674.db2.gz XAPJPIHYLLTJOB-UHFFFAOYSA-N 1 1 336.386 2.557 50 0 EFAAMO CCc1cccc(OC2CN(C(=O)CC[N@H+]3C[C@@H]4CC[C@H]3C4)C2)c1 ZINC000082097662 473288287 /nfs/dbraw/zinc/28/82/87/473288287.db2.gz JESSJNUHNXNCTQ-SJORKVTESA-N 1 1 328.456 2.713 50 0 EFAAMO Cc1cccc(C)c1C[N@H+]1CCC[C@]2(CCC(=O)N(CCCO)C2)C1 ZINC000082107224 473289322 /nfs/dbraw/zinc/28/93/22/473289322.db2.gz PFJHCKBGHVHFAG-NRFANRHFSA-N 1 1 344.499 2.890 50 0 EFAAMO O=C(C[N@H+]1CCC[C@@H](c2nccn2CC2CC2)C1)N1CCCCCC1 ZINC000082108893 473290166 /nfs/dbraw/zinc/29/01/66/473290166.db2.gz PIMCXXPHYIRKRV-GOSISDBHSA-N 1 1 344.503 2.875 50 0 EFAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@H](NS(C)(=O)=O)CC2)s1 ZINC000082116351 473292388 /nfs/dbraw/zinc/29/23/88/473292388.db2.gz YUCUVYYNTIADLR-AWEZNQCLSA-N 1 1 344.546 2.850 50 0 EFAAMO CC[C@@H]1CN(C(=O)Cc2ccc(F)c(F)c2F)CC[N@H+]1C(C)C ZINC000082120182 473293071 /nfs/dbraw/zinc/29/30/71/473293071.db2.gz HNGAWGBHOCNLFR-CYBMUJFWSA-N 1 1 328.378 2.978 50 0 EFAAMO Cc1cc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)ccc1F ZINC000082136867 473293570 /nfs/dbraw/zinc/29/35/70/473293570.db2.gz HWBQHUQAIBCCCX-HXUWFJFHSA-N 1 1 348.462 2.721 50 0 EFAAMO CSc1ccc(CC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000082125513 473294347 /nfs/dbraw/zinc/29/43/47/473294347.db2.gz UIRODIDCMCCBMK-QGZVFWFLSA-N 1 1 348.512 2.664 50 0 EFAAMO Cc1[nH+]ccn1CC1CCN(C(=O)c2cc(CC(C)C)nn2C)CC1 ZINC000082147005 473296365 /nfs/dbraw/zinc/29/63/65/473296365.db2.gz HYHKUNDCZNKEDL-UHFFFAOYSA-N 1 1 343.475 2.676 50 0 EFAAMO O=C1CC[C@]2(CCC[N@H+](C3CCCCC3)C2)CN1CCc1c[nH]cn1 ZINC000082167017 473297122 /nfs/dbraw/zinc/29/71/22/473297122.db2.gz LZNLBCGBHPURCZ-FQEVSTJZSA-N 1 1 344.503 2.990 50 0 EFAAMO O=C1CC[C@]2(CCC[N@@H+](C3CCCCC3)C2)CN1CCc1cnc[nH]1 ZINC000082167017 473297127 /nfs/dbraw/zinc/29/71/27/473297127.db2.gz LZNLBCGBHPURCZ-FQEVSTJZSA-N 1 1 344.503 2.990 50 0 EFAAMO O=C1CC[C@]2(CCC[N@H+](C3CCCCC3)C2)CN1CCc1cnc[nH]1 ZINC000082167017 473297134 /nfs/dbraw/zinc/29/71/34/473297134.db2.gz LZNLBCGBHPURCZ-FQEVSTJZSA-N 1 1 344.503 2.990 50 0 EFAAMO Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)OCCO3)[NH+](C)C)o1 ZINC000096163872 473321787 /nfs/dbraw/zinc/32/17/87/473321787.db2.gz BZFWVFWUJDVOPW-AWEZNQCLSA-N 1 1 345.399 2.784 50 0 EFAAMO Cn1nc(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000096343513 473374523 /nfs/dbraw/zinc/37/45/23/473374523.db2.gz BVNOCQFUEAJMIL-GDBMZVCRSA-N 1 1 326.444 2.568 50 0 EFAAMO CCOC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000000176270 471331890 /nfs/dbraw/zinc/33/18/90/471331890.db2.gz DIPYKFHAIZSMGP-KRWDZBQOSA-N 1 1 344.455 2.779 50 0 EFAAMO C[NH+]1CCN(c2nc(-c3cccs3)cc(C(F)(F)F)n2)CC1 ZINC000000213275 471335563 /nfs/dbraw/zinc/33/55/63/471335563.db2.gz QKGONMGEFYJKEZ-UHFFFAOYSA-N 1 1 328.363 2.976 50 0 EFAAMO CCCN1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)CC1 ZINC000000212627 471335929 /nfs/dbraw/zinc/33/59/29/471335929.db2.gz VBMZEGHPTUQKPQ-GOSISDBHSA-N 1 1 335.536 2.975 50 0 EFAAMO CCCN1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)CC1 ZINC000000212627 471335933 /nfs/dbraw/zinc/33/59/33/471335933.db2.gz VBMZEGHPTUQKPQ-GOSISDBHSA-N 1 1 335.536 2.975 50 0 EFAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000000616978 471375195 /nfs/dbraw/zinc/37/51/95/471375195.db2.gz XXFLGWVLMQTFPL-MRXNPFEDSA-N 1 1 338.860 2.921 50 0 EFAAMO CCOC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000000766470 471376224 /nfs/dbraw/zinc/37/62/24/471376224.db2.gz COCHQTMBKQLTMT-SFHVURJKSA-N 1 1 330.472 2.926 50 0 EFAAMO CN(C)CCC[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000002459140 471408273 /nfs/dbraw/zinc/40/82/73/471408273.db2.gz NCGVVYRUGRNHOI-INIZCTEOSA-N 1 1 325.456 2.697 50 0 EFAAMO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004859870 471477817 /nfs/dbraw/zinc/47/78/17/471477817.db2.gz JFKFPKNQDPWYHP-BETUJISGSA-N 1 1 343.427 2.871 50 0 EFAAMO COc1cc(Br)c(C[N@@H+]2CCCC[C@@H]2CO)cc1OC ZINC000004985891 471481235 /nfs/dbraw/zinc/48/12/35/471481235.db2.gz XJYDLFYYKDXPDB-GFCCVEGCSA-N 1 1 344.249 2.813 50 0 EFAAMO COc1cc(Br)c(C[N@H+]2CCCC[C@@H]2CO)cc1OC ZINC000004985891 471481249 /nfs/dbraw/zinc/48/12/49/471481249.db2.gz XJYDLFYYKDXPDB-GFCCVEGCSA-N 1 1 344.249 2.813 50 0 EFAAMO CN1CCC([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000004981347 471481907 /nfs/dbraw/zinc/48/19/07/471481907.db2.gz UVLWLYGPCRPEJB-UHFFFAOYSA-N 1 1 327.394 2.922 50 0 EFAAMO COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)C[NH+]1CCC(C)CC1 ZINC000005163126 471488938 /nfs/dbraw/zinc/48/89/38/471488938.db2.gz JCLKNCIVQIZAHQ-UHFFFAOYSA-N 1 1 343.427 2.933 50 0 EFAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000006769327 471567982 /nfs/dbraw/zinc/56/79/82/471567982.db2.gz MFRVEGQORUJNNL-INIZCTEOSA-N 1 1 343.471 2.808 50 0 EFAAMO Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[N@@H+](C)C1CCN(C)CC1 ZINC000008717534 471701040 /nfs/dbraw/zinc/70/10/40/471701040.db2.gz NKKOZBDNURQYJW-UHFFFAOYSA-N 1 1 342.487 2.841 50 0 EFAAMO Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1CN(C)C1CC[NH+](C)CC1 ZINC000008717534 471701043 /nfs/dbraw/zinc/70/10/43/471701043.db2.gz NKKOZBDNURQYJW-UHFFFAOYSA-N 1 1 342.487 2.841 50 0 EFAAMO COc1ccccc1Nc1nc(N)nc(C[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000009328293 471714363 /nfs/dbraw/zinc/71/43/63/471714363.db2.gz DILOLUDXEVUMJH-STQMWFEESA-N 1 1 342.447 2.684 50 0 EFAAMO CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000011842287 471759821 /nfs/dbraw/zinc/75/98/21/471759821.db2.gz ZQIJEFBSKBFRKA-IBGZPJMESA-N 1 1 343.515 2.841 50 0 EFAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc3nsnc3c2)C1)NC1CC1 ZINC000011873786 471760206 /nfs/dbraw/zinc/76/02/06/471760206.db2.gz LYGHEJCPEGYHAR-ZDUSSCGKSA-N 1 1 344.484 2.962 50 0 EFAAMO CCOC(=O)[C@]1(CCOC)CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011841730 471760242 /nfs/dbraw/zinc/76/02/42/471760242.db2.gz OTCLXHMQQYILQS-FQEVSTJZSA-N 1 1 331.456 2.836 50 0 EFAAMO CN(C(=O)c1cnccn1)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012001825 471762221 /nfs/dbraw/zinc/76/22/21/471762221.db2.gz VGOVHWCLKVQXLW-SFHVURJKSA-N 1 1 338.455 2.646 50 0 EFAAMO CC(C)(C)C[N@H+]1CC[C@H](C2CCN(C(=O)c3csnn3)CC2)C1 ZINC000012023762 471762951 /nfs/dbraw/zinc/76/29/51/471762951.db2.gz ATOLYGXXIUPNAX-AWEZNQCLSA-N 1 1 336.505 2.758 50 0 EFAAMO O=C1CC[N@H+](C2C3CC4CC(C3)CC2C4)CCN1Cc1ccncc1 ZINC000012151711 471765806 /nfs/dbraw/zinc/76/58/06/471765806.db2.gz XSEUJRXTDSEYCO-UHFFFAOYSA-N 1 1 339.483 2.941 50 0 EFAAMO CCOC(=O)[C@@]1(CCOC)CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000012206733 471769344 /nfs/dbraw/zinc/76/93/44/471769344.db2.gz ZBEOIYWEIPIGHG-HXUWFJFHSA-N 1 1 347.455 2.803 50 0 EFAAMO Cc1cnc(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cn1 ZINC000012200980 471769480 /nfs/dbraw/zinc/76/94/80/471769480.db2.gz LILDCHXUNWDYNL-MRXNPFEDSA-N 1 1 342.418 2.661 50 0 EFAAMO Cc1cnc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cn1 ZINC000012200980 471769488 /nfs/dbraw/zinc/76/94/88/471769488.db2.gz LILDCHXUNWDYNL-MRXNPFEDSA-N 1 1 342.418 2.661 50 0 EFAAMO Cc1noc(C)c1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012297350 471770085 /nfs/dbraw/zinc/77/00/85/471770085.db2.gz LHBVKHDRAAXONY-MRXNPFEDSA-N 1 1 345.418 2.754 50 0 EFAAMO Cc1noc(C)c1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012297350 471770086 /nfs/dbraw/zinc/77/00/86/471770086.db2.gz LHBVKHDRAAXONY-MRXNPFEDSA-N 1 1 345.418 2.754 50 0 EFAAMO Cc1cc(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3F)C2)[nH]n1 ZINC000012433388 471774667 /nfs/dbraw/zinc/77/46/67/471774667.db2.gz QYUIQXOVNHMNFD-GOSISDBHSA-N 1 1 335.398 2.814 50 0 EFAAMO Cc1cc(C[N@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3F)C2)[nH]n1 ZINC000012433388 471774672 /nfs/dbraw/zinc/77/46/72/471774672.db2.gz QYUIQXOVNHMNFD-GOSISDBHSA-N 1 1 335.398 2.814 50 0 EFAAMO C[N@H+](Cc1c[nH]nc1-c1cc2ccccc2o1)C[C@@H]1COCCO1 ZINC000012445385 471776045 /nfs/dbraw/zinc/77/60/45/471776045.db2.gz STGQDRDXMIJIFW-OAHLLOKOSA-N 1 1 327.384 2.670 50 0 EFAAMO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000012438949 471776716 /nfs/dbraw/zinc/77/67/16/471776716.db2.gz OHCVGDQGSFNPCJ-MRXNPFEDSA-N 1 1 328.416 2.663 50 0 EFAAMO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000012438949 471776722 /nfs/dbraw/zinc/77/67/22/471776722.db2.gz OHCVGDQGSFNPCJ-MRXNPFEDSA-N 1 1 328.416 2.663 50 0 EFAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccncc2)C1)c1ccc(F)cc1 ZINC000012448774 471776781 /nfs/dbraw/zinc/77/67/81/471776781.db2.gz KUJCSMNDMFWZFZ-INIZCTEOSA-N 1 1 327.403 2.863 50 0 EFAAMO Cc1nnsc1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000012762513 471794359 /nfs/dbraw/zinc/79/43/59/471794359.db2.gz RMZYRMQLPVVICF-HNNXBMFYSA-N 1 1 330.457 2.583 50 0 EFAAMO Cc1cccc(OCC(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000013744789 471842539 /nfs/dbraw/zinc/84/25/39/471842539.db2.gz PVGJNYHPYIBYPA-UHFFFAOYSA-N 1 1 338.451 2.761 50 0 EFAAMO COc1ccc(CN2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000013748068 471843242 /nfs/dbraw/zinc/84/32/42/471843242.db2.gz YODNBRNXOMARSA-IYBDPMFKSA-N 1 1 348.487 2.777 50 0 EFAAMO COc1ccc(C[NH+]2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000013748068 471843245 /nfs/dbraw/zinc/84/32/45/471843245.db2.gz YODNBRNXOMARSA-IYBDPMFKSA-N 1 1 348.487 2.777 50 0 EFAAMO CCNC(=O)c1nn(CC2CC2)c2c1C[N@H+](Cc1ccccc1)CC2 ZINC000014537022 471873802 /nfs/dbraw/zinc/87/38/02/471873802.db2.gz SVJYHTGCOQZMFX-UHFFFAOYSA-N 1 1 338.455 2.601 50 0 EFAAMO CCNC(=O)c1nn(CC2CC2)c2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000014537022 471873808 /nfs/dbraw/zinc/87/38/08/471873808.db2.gz SVJYHTGCOQZMFX-UHFFFAOYSA-N 1 1 338.455 2.601 50 0 EFAAMO Clc1cccc(C[N@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)c1 ZINC000014883845 471880855 /nfs/dbraw/zinc/88/08/55/471880855.db2.gz ALBPHRRMNWWXGK-HNNXBMFYSA-N 1 1 332.835 2.841 50 0 EFAAMO Clc1cccc(C[N@@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)c1 ZINC000014883845 471880859 /nfs/dbraw/zinc/88/08/59/471880859.db2.gz ALBPHRRMNWWXGK-HNNXBMFYSA-N 1 1 332.835 2.841 50 0 EFAAMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(NC(C)(C)C)nc2)C1 ZINC000014950831 471882932 /nfs/dbraw/zinc/88/29/32/471882932.db2.gz XBJFOZCGAWZEIB-OAHLLOKOSA-N 1 1 332.492 3.000 50 0 EFAAMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CCC(N)=O)CC2 ZINC000015083053 471889275 /nfs/dbraw/zinc/88/92/75/471889275.db2.gz YMVNEOZGJQBOGY-HXUWFJFHSA-N 1 1 340.423 2.527 50 0 biogenic EFAAMO CCc1noc(C)c1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000016579928 471941827 /nfs/dbraw/zinc/94/18/27/471941827.db2.gz WUKPFIPUSAKIEF-UHFFFAOYSA-N 1 1 327.428 2.546 50 0 EFAAMO CC[NH+]1CCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000016604250 471944371 /nfs/dbraw/zinc/94/43/71/471944371.db2.gz HJFWHPPPQCZLAI-LLVKDONJSA-N 1 1 331.243 2.925 50 0 EFAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CC[NH+](C)CC4)[C@H]3C=C12 ZINC000019703189 471983199 /nfs/dbraw/zinc/98/31/99/471983199.db2.gz GGQNKELRRAZPBI-CZMKXJCESA-N 1 1 332.488 2.548 50 0 biogenic EFAAMO COc1ccc(CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)c(F)c1 ZINC000039413266 472022836 /nfs/dbraw/zinc/02/28/36/472022836.db2.gz MXLYAIRFZVNUPP-QGZVFWFLSA-N 1 1 336.451 2.646 50 0 EFAAMO CCCCc1nc(CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)c[nH]1 ZINC000039533778 472024396 /nfs/dbraw/zinc/02/43/96/472024396.db2.gz HJWZPLXCWRKCFH-GOSISDBHSA-N 1 1 334.508 2.564 50 0 EFAAMO CCCCc1ncc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)[nH]1 ZINC000039533778 472024399 /nfs/dbraw/zinc/02/43/99/472024399.db2.gz HJWZPLXCWRKCFH-GOSISDBHSA-N 1 1 334.508 2.564 50 0 EFAAMO CCCCc1ncc(CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)[nH]1 ZINC000039533778 472024400 /nfs/dbraw/zinc/02/44/00/472024400.db2.gz HJWZPLXCWRKCFH-GOSISDBHSA-N 1 1 334.508 2.564 50 0 EFAAMO CC(C)c1cc(CN2CC[N@@H+](CC3CCCCC3)[C@H](CCO)C2)[nH]n1 ZINC000039537778 472024429 /nfs/dbraw/zinc/02/44/29/472024429.db2.gz AZHDJHDLWIAHQY-LJQANCHMSA-N 1 1 348.535 2.982 50 0 EFAAMO CC(C)c1cc(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)n[nH]1 ZINC000039537778 472024432 /nfs/dbraw/zinc/02/44/32/472024432.db2.gz AZHDJHDLWIAHQY-LJQANCHMSA-N 1 1 348.535 2.982 50 0 EFAAMO CC(C)c1cc(CN2CC[N@@H+](CC3CCCCC3)[C@H](CCO)C2)n[nH]1 ZINC000039537778 472024435 /nfs/dbraw/zinc/02/44/35/472024435.db2.gz AZHDJHDLWIAHQY-LJQANCHMSA-N 1 1 348.535 2.982 50 0 EFAAMO Cc1c2cc(C)ccc2[nH]c1C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000067431817 472033825 /nfs/dbraw/zinc/03/38/25/472033825.db2.gz YJTXQBCMLMIBOY-OAHLLOKOSA-N 1 1 349.500 2.546 50 0 EFAAMO c1ccc(CNc2ncc(CN3CCC[N@H+]4CCC[C@H]4C3)cn2)cc1 ZINC000067446578 472034914 /nfs/dbraw/zinc/03/49/14/472034914.db2.gz YLJVYPDSRRTFDJ-IBGZPJMESA-N 1 1 337.471 2.759 50 0 EFAAMO O=C(Cc1cccc(F)c1F)NC[C@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000067458231 472037142 /nfs/dbraw/zinc/03/71/42/472037142.db2.gz ZXSKSDGSPLQMEL-CYBMUJFWSA-N 1 1 334.366 2.739 50 0 EFAAMO CCn1nc(C)c(C[N@H+]2CCC[C@H](CNC(=O)C=C(C)C)C2)c1C ZINC000067540753 472046591 /nfs/dbraw/zinc/04/65/91/472046591.db2.gz PNBMHLGVCMMFOQ-QGZVFWFLSA-N 1 1 332.492 2.814 50 0 EFAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccncc2Cl)C1)c1ccc[nH]1 ZINC000067560287 472049524 /nfs/dbraw/zinc/04/95/24/472049524.db2.gz FCJZDMMYNJPNRK-CYBMUJFWSA-N 1 1 332.835 2.705 50 0 EFAAMO O=C(NC[C@H]1CCC[N@H+](Cc2ccncc2Cl)C1)c1ccc[nH]1 ZINC000067560287 472049528 /nfs/dbraw/zinc/04/95/28/472049528.db2.gz FCJZDMMYNJPNRK-CYBMUJFWSA-N 1 1 332.835 2.705 50 0 EFAAMO CCOC(=O)N1CCC([NH2+]CCc2nc3ccc(C)c(C)c3[nH]2)CC1 ZINC000067562019 472050545 /nfs/dbraw/zinc/05/05/45/472050545.db2.gz CCKAEQRCMKOWCZ-UHFFFAOYSA-N 1 1 344.459 2.933 50 0 EFAAMO C[C@@H]1CCC[N@@H+](CCCOc2ccc(CNN3CCOCC3)cc2)C1 ZINC000067601786 472056784 /nfs/dbraw/zinc/05/67/84/472056784.db2.gz XHADEFFEQIDTHY-GOSISDBHSA-N 1 1 347.503 2.524 50 0 EFAAMO COCC(=O)Nc1ccc(Nc2cc(C)[nH+]c(N3CCCC3)n2)cc1 ZINC000067629659 472062636 /nfs/dbraw/zinc/06/26/36/472062636.db2.gz XCJFQEGCFXPLKH-UHFFFAOYSA-N 1 1 341.415 2.714 50 0 EFAAMO O=C1CC[C@H]([NH2+]Cc2noc(C3CCCC3)n2)CCN1CC1CC1 ZINC000067641199 472063717 /nfs/dbraw/zinc/06/37/17/472063717.db2.gz VTJIDDKTZMQEMP-HNNXBMFYSA-N 1 1 332.448 2.608 50 0 EFAAMO CCCC(=O)NCC1CC[NH+](Cc2c(C)nn(C)c2Cl)CC1 ZINC000067688381 472072120 /nfs/dbraw/zinc/07/21/20/472072120.db2.gz ZXLBWAFCPHFQOE-UHFFFAOYSA-N 1 1 326.872 2.510 50 0 EFAAMO CN(Cc1nc(-c2cccnc2)no1)C1CCC2(CC[NH2+]CC2)CC1 ZINC000067691784 472073279 /nfs/dbraw/zinc/07/32/79/472073279.db2.gz BIVYVJOYVLOEGD-UHFFFAOYSA-N 1 1 341.459 2.876 50 0 EFAAMO CCc1ccc(C[N@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)o1 ZINC000067712807 472078180 /nfs/dbraw/zinc/07/81/80/472078180.db2.gz KOEPKQFPXCLAAQ-DLBZAZTESA-N 1 1 329.396 2.921 50 0 EFAAMO C/C(=C\c1ccco1)C[N@H+]1CC[C@H](CNC(=O)c2cncs2)C1 ZINC000067714158 472078756 /nfs/dbraw/zinc/07/87/56/472078756.db2.gz IUHWCKHDTSXDSE-WTWVRAIASA-N 1 1 331.441 2.891 50 0 EFAAMO CC(C)n1ccc(C[N@H+]2CC[C@H](CNC(=O)c3ccncc3)C2)c1 ZINC000067725516 472079138 /nfs/dbraw/zinc/07/91/38/472079138.db2.gz TWANTXJGFNMWGL-MRXNPFEDSA-N 1 1 326.444 2.716 50 0 EFAAMO Cc1cccc2nc([C@H]3CCCN3c3cc(CC[NH3+])nc(C)n3)[nH]c21 ZINC000067741576 472081887 /nfs/dbraw/zinc/08/18/87/472081887.db2.gz CXHQSYSVILNAQB-MRXNPFEDSA-N 1 1 336.443 2.812 50 0 EFAAMO Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)Cn3ccnc3)C2)cc1 ZINC000067774588 472088442 /nfs/dbraw/zinc/08/84/42/472088442.db2.gz SLDRWYLMRQWQKK-KRWDZBQOSA-N 1 1 349.438 2.988 50 0 EFAAMO C[C@@H]1C[N@@H+](C2CCN(Cc3cc(C(C)(C)C)n[nH]3)CC2)C[C@H](C)O1 ZINC000067789600 472089130 /nfs/dbraw/zinc/08/91/30/472089130.db2.gz WAPFOLFTKWGKAL-GASCZTMLSA-N 1 1 334.508 2.781 50 0 EFAAMO Cc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3nc4ccccc4[nH]3)C2)cn1 ZINC000067788327 472089303 /nfs/dbraw/zinc/08/93/03/472089303.db2.gz FZEJNSNDCRZASP-OAHLLOKOSA-N 1 1 349.438 2.518 50 0 EFAAMO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3nc4ccccc4[nH]3)C2)cn1 ZINC000067788327 472089307 /nfs/dbraw/zinc/08/93/07/472089307.db2.gz FZEJNSNDCRZASP-OAHLLOKOSA-N 1 1 349.438 2.518 50 0 EFAAMO C=Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)COC)C3)C2)c1 ZINC000067788266 472089997 /nfs/dbraw/zinc/08/99/97/472089997.db2.gz SUWQZKKHVHCPBT-FQEVSTJZSA-N 1 1 328.456 2.791 50 0 EFAAMO COc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC000067805416 472091851 /nfs/dbraw/zinc/09/18/51/472091851.db2.gz UPKBYTVCGLNWOG-AWEZNQCLSA-N 1 1 335.448 2.946 50 0 EFAAMO CC(C)n1ccnc1C[N@@H+]1CC[C@H](CNC(=O)c2ccsc2)C1 ZINC000067841792 472096843 /nfs/dbraw/zinc/09/68/43/472096843.db2.gz XPNRLORLKUYMGQ-CQSZACIVSA-N 1 1 332.473 2.777 50 0 EFAAMO CC(C)n1ccnc1C[N@H+]1CC[C@H](CNC(=O)c2ccsc2)C1 ZINC000067841792 472096848 /nfs/dbraw/zinc/09/68/48/472096848.db2.gz XPNRLORLKUYMGQ-CQSZACIVSA-N 1 1 332.473 2.777 50 0 EFAAMO CCc1ccc(C[N@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)nc1 ZINC000067854814 472098555 /nfs/dbraw/zinc/09/85/55/472098555.db2.gz ZRAFFOZRSWDHQF-ZWKOTPCHSA-N 1 1 340.423 2.723 50 0 EFAAMO COc1ccc(-c2nc(C[N@@H+]3CC[C@H](O)C3)c(C)o2)c(OC)c1C ZINC000067867339 472101376 /nfs/dbraw/zinc/10/13/76/472101376.db2.gz BMNXVUOZNJGCET-ZDUSSCGKSA-N 1 1 332.400 2.542 50 0 EFAAMO COc1ccc(-c2nc(C[N@H+]3CC[C@H](O)C3)c(C)o2)c(OC)c1C ZINC000067867339 472101381 /nfs/dbraw/zinc/10/13/81/472101381.db2.gz BMNXVUOZNJGCET-ZDUSSCGKSA-N 1 1 332.400 2.542 50 0 EFAAMO CCc1nn(C)c(Cl)c1CN1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000067868770 472102094 /nfs/dbraw/zinc/10/20/94/472102094.db2.gz SLBZEVPHNAONHO-UHFFFAOYSA-N 1 1 347.894 2.739 50 0 EFAAMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3cnco3)C2)c(C)c1F ZINC000067868844 472102233 /nfs/dbraw/zinc/10/22/33/472102233.db2.gz XSLAIMWNCJESRT-CQSZACIVSA-N 1 1 331.391 2.682 50 0 EFAAMO Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccncn3)C2)cc1C ZINC000067879015 472103060 /nfs/dbraw/zinc/10/30/60/472103060.db2.gz SOOIBDFFMQJYHY-SFHVURJKSA-N 1 1 338.455 2.735 50 0 EFAAMO Cc1c(NCc2ccccn2)cccc1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000067896345 472106939 /nfs/dbraw/zinc/10/69/39/472106939.db2.gz GULMKTKENMHLNV-MRXNPFEDSA-N 1 1 338.455 2.684 50 0 EFAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(c1cc(Sc3cccs3)nc(N)n1)C2 ZINC000067921090 472109667 /nfs/dbraw/zinc/10/96/67/472109667.db2.gz QPIMEFGAPMDSCQ-NWDGAFQWSA-N 1 1 347.513 2.944 50 0 EFAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccncc2)C1)C1(C(F)(F)F)CC1 ZINC000067935432 472111334 /nfs/dbraw/zinc/11/13/34/472111334.db2.gz ZXBDBXAWLWZIQP-AWEZNQCLSA-N 1 1 341.377 2.752 50 0 EFAAMO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@H+]1CCC(=O)NC[C@H]1C ZINC000067934950 472111630 /nfs/dbraw/zinc/11/16/30/472111630.db2.gz HNYAXRAQHVNYJO-SNVBAGLBSA-N 1 1 335.354 2.639 50 0 EFAAMO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@@H+]1CCC(=O)NC[C@H]1C ZINC000067934950 472111636 /nfs/dbraw/zinc/11/16/36/472111636.db2.gz HNYAXRAQHVNYJO-SNVBAGLBSA-N 1 1 335.354 2.639 50 0 EFAAMO CCc1nc(C)c(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccco3)C2)o1 ZINC000067956431 472115647 /nfs/dbraw/zinc/11/56/47/472115647.db2.gz AAFHWBCTNFHVKR-CQSZACIVSA-N 1 1 331.416 2.780 50 0 EFAAMO Cc1cnc(C(=O)NC[C@H]2CCC[N@@H+](C/C=C/c3ccco3)C2)cn1 ZINC000067967501 472117447 /nfs/dbraw/zinc/11/74/47/472117447.db2.gz ASOOJGBPVHQMRD-WUTVXBCWSA-N 1 1 340.427 2.533 50 0 EFAAMO O=C([C@@H]1CCC[NH2+]1)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 ZINC000067973838 472118555 /nfs/dbraw/zinc/11/85/55/472118555.db2.gz IZQQPMZCALSMJC-KRWDZBQOSA-N 1 1 342.418 2.674 50 0 EFAAMO CCc1[nH+]ccn1CCCNC(=O)[C@@H](CC)Nc1cccc(OC)c1 ZINC000055053725 472135347 /nfs/dbraw/zinc/13/53/47/472135347.db2.gz VLLJTJRAMLLBHL-QGZVFWFLSA-N 1 1 344.459 2.851 50 0 EFAAMO CNc1ncccc1C[N@H+](CCCn1ccnc1)Cc1cccnc1 ZINC000055107835 472140733 /nfs/dbraw/zinc/14/07/33/472140733.db2.gz ISFUZJYORURKCV-UHFFFAOYSA-N 1 1 336.443 2.807 50 0 EFAAMO CNc1ncccc1C[N@@H+](CCCn1ccnc1)Cc1cccnc1 ZINC000055107835 472140737 /nfs/dbraw/zinc/14/07/37/472140737.db2.gz ISFUZJYORURKCV-UHFFFAOYSA-N 1 1 336.443 2.807 50 0 EFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)ccc1NC(=O)C(C)C ZINC000055183205 472149146 /nfs/dbraw/zinc/14/91/46/472149146.db2.gz HCZGHXPETDMZEC-OAHLLOKOSA-N 1 1 331.460 2.804 50 0 EFAAMO Cc1ccc(C)c(O[C@@H](C)C(=O)N(C)CCCC[NH+]2CCOCC2)c1 ZINC000055226157 472155802 /nfs/dbraw/zinc/15/58/02/472155802.db2.gz UQQHIQVGFCUQLZ-SFHVURJKSA-N 1 1 348.487 2.642 50 0 EFAAMO CCCc1nc(CN(CC)C(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)no1 ZINC000055270391 472160181 /nfs/dbraw/zinc/16/01/81/472160181.db2.gz XKIYAHJZUISXMV-QGZVFWFLSA-N 1 1 348.422 2.813 50 0 EFAAMO Cc1ccnc(C[C@@H](C)[N@@H+](C)CCn2c3ccccc3oc2=O)c1 ZINC000055271812 472160232 /nfs/dbraw/zinc/16/02/32/472160232.db2.gz 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Cc1cc(Cl)ccc1C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000164279644 473484488 /nfs/dbraw/zinc/48/44/88/473484488.db2.gz JKWFHFVNOIVDES-UHFFFAOYSA-N 1 1 346.862 2.730 50 0 EFAAMO Cc1cccc(OCC[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000195520681 474087605 /nfs/dbraw/zinc/08/76/05/474087605.db2.gz GDNXRXXAOWNAEG-MRXNPFEDSA-N 1 1 326.444 2.791 50 0 EFAAMO Fc1cccc(OCC[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000195520647 474087971 /nfs/dbraw/zinc/08/79/71/474087971.db2.gz UQLNVIYTCYOZRV-AWEZNQCLSA-N 1 1 330.407 2.622 50 0 EFAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)Cc1ccc2c(c1)OCO2 ZINC000198183686 474106229 /nfs/dbraw/zinc/10/62/29/474106229.db2.gz MXJAAKBTSIEOOY-UHFFFAOYSA-N 1 1 349.390 2.768 50 0 EFAAMO COc1ccc([C@H]2CCCCN(C(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000206887352 474125415 /nfs/dbraw/zinc/12/54/15/474125415.db2.gz JDWUWUNHMQWNDL-KRWDZBQOSA-N 1 1 331.460 2.632 50 0 EFAAMO CCCO[C@H]1CCC[N@@H+](Cc2ccc(OCC(N)=O)c(Cl)c2)C1 ZINC000215945297 474139698 /nfs/dbraw/zinc/13/96/98/474139698.db2.gz KIKCJEIPFCVZAQ-AWEZNQCLSA-N 1 1 340.851 2.595 50 0 EFAAMO Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)CCc2ccncc2)C1 ZINC000215940963 474139770 /nfs/dbraw/zinc/13/97/70/474139770.db2.gz AZGCDVZCZRGPJE-IBGZPJMESA-N 1 1 337.467 2.961 50 0 EFAAMO Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)CCc2ccncc2)C1 ZINC000215940912 474140083 /nfs/dbraw/zinc/14/00/83/474140083.db2.gz AZGCDVZCZRGPJE-LJQANCHMSA-N 1 1 337.467 2.961 50 0 EFAAMO CC(C)Cc1ccc(C[N@@H+]2CCCn3nc([C@@H](O)CO)cc3C2)cc1 ZINC000219853813 474149167 /nfs/dbraw/zinc/14/91/67/474149167.db2.gz LREZRGNZYFLIEZ-FQEVSTJZSA-N 1 1 343.471 2.513 50 0 EFAAMO CC(C)Cc1ccc(C[N@H+]2CCCn3nc([C@@H](O)CO)cc3C2)cc1 ZINC000219853813 474149173 /nfs/dbraw/zinc/14/91/73/474149173.db2.gz LREZRGNZYFLIEZ-FQEVSTJZSA-N 1 1 343.471 2.513 50 0 EFAAMO O=C(Cc1ccc(F)cc1F)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000221269425 474159475 /nfs/dbraw/zinc/15/94/75/474159475.db2.gz YGHCBPOZUAVXHL-UHFFFAOYSA-N 1 1 345.393 2.637 50 0 EFAAMO O=C(Cc1ccc(F)cc1F)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000221269425 474159481 /nfs/dbraw/zinc/15/94/81/474159481.db2.gz YGHCBPOZUAVXHL-UHFFFAOYSA-N 1 1 345.393 2.637 50 0 EFAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000222255383 474166792 /nfs/dbraw/zinc/16/67/92/474166792.db2.gz MLEHJNIQMMRXTA-KBPBESRZSA-N 1 1 331.243 2.831 50 0 EFAAMO CN(Cc1ccc2c(c1)C[N@H+](C)C2)C(=O)Cc1ccc2c(c1)OCO2 ZINC000222619100 474171251 /nfs/dbraw/zinc/17/12/51/474171251.db2.gz WNBDOGMQEYKAOU-UHFFFAOYSA-N 1 1 338.407 2.562 50 0 EFAAMO c1ccc(O[C@@H]2COCC[C@H]2NC2CC[NH+](C3CCCC3)CC2)nc1 ZINC000223062994 474178546 /nfs/dbraw/zinc/17/85/46/474178546.db2.gz GQWBTQMAMMSOMJ-RTBURBONSA-N 1 1 345.487 2.615 50 0 EFAAMO CN(Cc1ccccc1-n1cccn1)C(=O)C[N@@H+](C)C1CCCC1 ZINC000223139294 474180959 /nfs/dbraw/zinc/18/09/59/474180959.db2.gz MAPKDRVLCVYBMV-UHFFFAOYSA-N 1 1 326.444 2.705 50 0 EFAAMO Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000223421984 474185773 /nfs/dbraw/zinc/18/57/73/474185773.db2.gz FWMJADBVGCOBNZ-GOSISDBHSA-N 1 1 346.450 2.860 50 0 EFAAMO Cc1ccc[nH+]c1N1CCN(C(=O)[C@H]2CCc3ccccc3C2)CC1 ZINC000223598586 474186543 /nfs/dbraw/zinc/18/65/43/474186543.db2.gz HHSYXTVMBJBQQO-IBGZPJMESA-N 1 1 335.451 2.844 50 0 EFAAMO O=C(NC[C@@H](c1ccsc1)[NH+]1CCC1)c1ccc2nsnc2c1 ZINC000225593668 474227120 /nfs/dbraw/zinc/22/71/20/474227120.db2.gz KJIJMJHKGXWJDK-HNNXBMFYSA-N 1 1 344.465 2.930 50 0 EFAAMO COc1cccc(C(=O)N2CC[C@@H]([N@H+]3CCc4ccccc4C3)C2)c1 ZINC000225684532 474236221 /nfs/dbraw/zinc/23/62/21/474236221.db2.gz QFUJDMHLRACTQU-LJQANCHMSA-N 1 1 336.435 2.968 50 0 EFAAMO C[C@@H](Cc1cnccn1)[N@@H+](C)CCC(=O)Nc1ccc(F)cc1F ZINC000244724462 474564485 /nfs/dbraw/zinc/56/44/85/474564485.db2.gz MUNXAWZOKIZKCZ-LBPRGKRZSA-N 1 1 334.370 2.646 50 0 EFAAMO COc1cccc(OCC[N@H+]2CCC[C@H]2C(=O)N2CCCCC2)c1 ZINC000244795119 474566673 /nfs/dbraw/zinc/56/66/73/474566673.db2.gz QZVKCIFARJEXQY-SFHVURJKSA-N 1 1 332.444 2.551 50 0 EFAAMO Cc1cccc(N2CC[C@H](CNC(=O)C[N@H+](C)C3CCCC3)C2)c1 ZINC000244794901 474566728 /nfs/dbraw/zinc/56/67/28/474566728.db2.gz QVXSALRXXNMYPN-QGZVFWFLSA-N 1 1 329.488 2.812 50 0 EFAAMO Cc1nnc([C@H]2CCC[N@@H+]2CCC(=O)NCc2cccc(Cl)c2)[nH]1 ZINC000244900265 474569985 /nfs/dbraw/zinc/56/99/85/474569985.db2.gz ZYUROGVJVYATKZ-OAHLLOKOSA-N 1 1 347.850 2.610 50 0 EFAAMO Cc1nnc([C@H]2CCC[N@H+]2CCC(=O)NCc2cccc(Cl)c2)[nH]1 ZINC000244900265 474569994 /nfs/dbraw/zinc/56/99/94/474569994.db2.gz ZYUROGVJVYATKZ-OAHLLOKOSA-N 1 1 347.850 2.610 50 0 EFAAMO Cc1ccc(C)c(NC(=O)CC[N@H+](C)Cc2[nH]nc3c2CCC3)c1 ZINC000252482280 474666959 /nfs/dbraw/zinc/66/69/59/474666959.db2.gz DCFUZURRFMHOIC-UHFFFAOYSA-N 1 1 326.444 2.976 50 0 EFAAMO c1c(C[NH+]2CCC(Oc3ncccn3)CC2)onc1-c1ccncc1 ZINC000252481662 474667547 /nfs/dbraw/zinc/66/75/47/474667547.db2.gz CQCDVESIKQUONX-UHFFFAOYSA-N 1 1 337.383 2.570 50 0 EFAAMO Cc1nnsc1C[N@H+](C)CCC(=O)NCc1cccc(Cl)c1 ZINC000252491491 474676938 /nfs/dbraw/zinc/67/69/38/474676938.db2.gz LNKJHOWAMPHPNZ-UHFFFAOYSA-N 1 1 338.864 2.638 50 0 EFAAMO Cc1nnsc1C[N@@H+](C)CCC(=O)NCc1cccc(Cl)c1 ZINC000252491491 474676947 /nfs/dbraw/zinc/67/69/47/474676947.db2.gz LNKJHOWAMPHPNZ-UHFFFAOYSA-N 1 1 338.864 2.638 50 0 EFAAMO COc1ccccc1CNC(=O)CC[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1 ZINC000252491605 474677164 /nfs/dbraw/zinc/67/71/64/474677164.db2.gz LOLGQDQNUQQFLL-LVYXFOGZSA-N 1 1 328.456 2.679 50 0 EFAAMO COc1ccc(C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)nc1 ZINC000338288924 475750703 /nfs/dbraw/zinc/75/07/03/475750703.db2.gz RWGYPDHOCDOWBO-LBPRGKRZSA-N 1 1 332.400 2.967 50 0 EFAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)Nc1ccc2ncsc2c1 ZINC000299763450 476150976 /nfs/dbraw/zinc/15/09/76/476150976.db2.gz WTFLXNGBPUOLBE-KBPBESRZSA-N 1 1 334.445 2.525 50 0 EFAAMO CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)[nH]n1 ZINC000299754479 476151159 /nfs/dbraw/zinc/15/11/59/476151159.db2.gz VPXZLXSEMWRTJR-YJBOKZPZSA-N 1 1 332.492 2.945 50 0 biogenic EFAAMO CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n[nH]1 ZINC000299754479 476151168 /nfs/dbraw/zinc/15/11/68/476151168.db2.gz VPXZLXSEMWRTJR-YJBOKZPZSA-N 1 1 332.492 2.945 50 0 biogenic EFAAMO CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)n[nH]1 ZINC000299754479 476151183 /nfs/dbraw/zinc/15/11/83/476151183.db2.gz VPXZLXSEMWRTJR-YJBOKZPZSA-N 1 1 332.492 2.945 50 0 biogenic EFAAMO CCC1=NO[C@@H](CNC(=O)Nc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000299794684 476153313 /nfs/dbraw/zinc/15/33/13/476153313.db2.gz LRGIDAQLYRQRGF-MRXNPFEDSA-N 1 1 327.388 2.857 50 0 EFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)N(C)Cc1cccc2cnccc21 ZINC000426527671 477716041 /nfs/dbraw/zinc/71/60/41/477716041.db2.gz FIFHSFGRDLWDNF-KRWDZBQOSA-N 1 1 326.444 2.861 50 0 EFAAMO Cc1cnc2nc(-c3ccc([C@@H](C)[NH+]4CCOCC4)cc3)cnc2n1 ZINC000426541807 477718587 /nfs/dbraw/zinc/71/85/87/477718587.db2.gz ZGCIVMLPVKAOFC-CQSZACIVSA-N 1 1 335.411 2.788 50 0 EFAAMO C[C@H](c1ccc(-c2nc(C(F)(F)F)nn2C)cc1)[NH+]1CCOCC1 ZINC000426544659 477718893 /nfs/dbraw/zinc/71/88/93/477718893.db2.gz FWLRFSLRZNYNKX-LLVKDONJSA-N 1 1 340.349 2.894 50 0 EFAAMO O=C(NCCC[NH+]1CCOCC1)[C@@]1(c2ccccc2)CC12CCCC2 ZINC000426552325 477720097 /nfs/dbraw/zinc/72/00/97/477720097.db2.gz KXXAHYFJHJIGDV-NRFANRHFSA-N 1 1 342.483 2.727 50 0 EFAAMO CC(C)[N@H+]1CC[C@H](CNC(=O)N(C)Cc2ccc3nsnc3c2)C1 ZINC000426613577 477726456 /nfs/dbraw/zinc/72/64/56/477726456.db2.gz GYPFTCWKYOXZPV-CQSZACIVSA-N 1 1 347.488 2.563 50 0 EFAAMO CN1CC[C@@H]([N@@H+](C)CCC(=O)NCc2ccc3sccc3c2)C1 ZINC000426647895 477733036 /nfs/dbraw/zinc/73/30/36/477733036.db2.gz HSHVWTRTKCCKQB-MRXNPFEDSA-N 1 1 331.485 2.544 50 0 EFAAMO CN(CCC(=O)NCc1ccc2sccc2c1)[C@@H]1CC[N@H+](C)C1 ZINC000426647895 477733041 /nfs/dbraw/zinc/73/30/41/477733041.db2.gz HSHVWTRTKCCKQB-MRXNPFEDSA-N 1 1 331.485 2.544 50 0 EFAAMO CN(CCC(=O)NCc1ccc2sccc2c1)[C@@H]1CC[N@@H+](C)C1 ZINC000426647895 477733046 /nfs/dbraw/zinc/73/30/46/477733046.db2.gz HSHVWTRTKCCKQB-MRXNPFEDSA-N 1 1 331.485 2.544 50 0 EFAAMO OCCn1ccc([C@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)n1 ZINC000426662057 477734175 /nfs/dbraw/zinc/73/41/75/477734175.db2.gz FSAGWNQWMNLKIS-KRWDZBQOSA-N 1 1 336.439 2.803 50 0 EFAAMO Cc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(OCc2ccccn2)CC1 ZINC000426707162 477740963 /nfs/dbraw/zinc/74/09/63/477740963.db2.gz HHZUOLIISYTIGJ-OAHLLOKOSA-N 1 1 342.443 2.745 50 0 EFAAMO COc1ccc(-c2ccc(C(=O)NCC[C@@H]3CCC[N@H+]3C)cc2)cn1 ZINC000426739848 477743524 /nfs/dbraw/zinc/74/35/24/477743524.db2.gz SVAAACGGLJWQTD-SFHVURJKSA-N 1 1 339.439 2.971 50 0 EFAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC(c2ccncc2)CC1 ZINC000534590123 478161160 /nfs/dbraw/zinc/16/11/60/478161160.db2.gz XXFPEPHTJBLJBG-INIZCTEOSA-N 1 1 330.476 2.845 50 0 EFAAMO CCCOc1ccc(C(=O)N[C@H]2C[N@@H+](CC)C[C@@H]2OC)cc1Cl ZINC000534639412 478164263 /nfs/dbraw/zinc/16/42/63/478164263.db2.gz HWZWIEIVEQSHIL-HOCLYGCPSA-N 1 1 340.851 2.578 50 0 EFAAMO CC[N@H+]1CCC[C@@H](NC(=O)N(C)CCCOc2ccccc2OC)C1 ZINC000534655886 478167039 /nfs/dbraw/zinc/16/70/39/478167039.db2.gz WDECPZSOUZGKNM-MRXNPFEDSA-N 1 1 349.475 2.590 50 0 EFAAMO C[N@H+]1CCC[C@@H](CCNC(=O)N(Cc2cccc(O)c2)C2CC2)C1 ZINC000584892319 479273034 /nfs/dbraw/zinc/27/30/34/479273034.db2.gz JEFBWXMTYRTWIM-HNNXBMFYSA-N 1 1 331.460 2.798 50 0 EFAAMO CC1(C(=O)N2CCC[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2)COC1 ZINC000584902970 479277042 /nfs/dbraw/zinc/27/70/42/479277042.db2.gz MTEOAURXEUWZFY-NRFANRHFSA-N 1 1 342.483 2.928 50 0 EFAAMO CCOc1ccc(CCCNC(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000584901119 479277289 /nfs/dbraw/zinc/27/72/89/479277289.db2.gz OTLUBNNUHPUAGD-KRWDZBQOSA-N 1 1 331.460 2.508 50 0 EFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(OC)ccn2)cc1 ZINC000584900568 479277302 /nfs/dbraw/zinc/27/73/02/479277302.db2.gz UGLDDGBKQOYHGN-QGZVFWFLSA-N 1 1 339.439 2.971 50 0 EFAAMO CCc1ocnc1C(=O)NC[C@@H](c1cccnc1)[NH+]1CCCCC1 ZINC000584904150 479277876 /nfs/dbraw/zinc/27/78/76/479277876.db2.gz GYUJJMNBFLMMFY-HNNXBMFYSA-N 1 1 328.416 2.589 50 0 EFAAMO CC(C)(C)OC(=O)Nc1cnccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000585136509 479296637 /nfs/dbraw/zinc/29/66/37/479296637.db2.gz ISVDHTKSRFYVDX-UHFFFAOYSA-N 1 1 349.431 2.768 50 0 EFAAMO O=C(NCc1cccs1)N1CCC[N@H+](C2CCSCC2)CC1 ZINC000575616366 479456692 /nfs/dbraw/zinc/45/66/92/479456692.db2.gz JAEHXOYCTZAYML-UHFFFAOYSA-N 1 1 339.530 2.861 50 0 EFAAMO Cc1cccc([C@@H](C(=O)NCCC(=O)NC2CCCCC2)[NH+](C)C)c1 ZINC000091636702 524814065 /nfs/dbraw/zinc/81/40/65/524814065.db2.gz XWZCWZFOHPMVGS-IBGZPJMESA-N 1 1 345.487 2.553 50 0 EFAAMO Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)CCCn2cccn2)C1 ZINC000299764387 525147026 /nfs/dbraw/zinc/14/70/26/525147026.db2.gz VFCRNVDOUCYJHK-GOSISDBHSA-N 1 1 340.471 2.610 50 0 EFAAMO CCc1ccc2occ(CC(=O)NCC[N@H+]3CCCC[C@H]3CO)c2c1 ZINC000216080408 535839712 /nfs/dbraw/zinc/83/97/12/535839712.db2.gz STLHAJXHDGSQLG-KRWDZBQOSA-N 1 1 344.455 2.501 50 0 EFAAMO C[NH+](C)CCOC1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000215034674 535893214 /nfs/dbraw/zinc/89/32/14/535893214.db2.gz GHZOXPCPJJPMNG-UHFFFAOYSA-N 1 1 346.450 2.554 50 0 EFAAMO CN(C(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000426383998 536033357 /nfs/dbraw/zinc/03/33/57/536033357.db2.gz VRXLDIAVORUCFA-SFHVURJKSA-N 1 1 345.487 2.719 50 0 EFAAMO Cc1ccc(-n2cccn2)c(C[N@H+](CCN(C)C)C[C@H]2CCCO2)c1 ZINC000216239262 545559494 /nfs/dbraw/zinc/55/94/94/545559494.db2.gz QVQZJICKIBSQQO-LJQANCHMSA-N 1 1 342.487 2.723 50 0 EFAAMO Cc1ccc(-n2cccn2)c(C[N@@H+](CCN(C)C)C[C@H]2CCCO2)c1 ZINC000216239262 545559497 /nfs/dbraw/zinc/55/94/97/545559497.db2.gz QVQZJICKIBSQQO-LJQANCHMSA-N 1 1 342.487 2.723 50 0 EFAAMO COc1cc(F)c(C[NH+]2CCC(O)(c3ccccn3)CC2)cc1OC ZINC000670440487 547489300 /nfs/dbraw/zinc/48/93/00/547489300.db2.gz YAILATXLLXHQAF-UHFFFAOYSA-N 1 1 346.402 2.722 50 0 EFAAMO O=S(=O)(CC1CCCC1)NCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000670436359 547489566 /nfs/dbraw/zinc/48/95/66/547489566.db2.gz MJBBZMALMMNCFR-GOSISDBHSA-N 1 1 336.501 2.586 50 0 EFAAMO CC(C)[C@H](CNC(=O)c1cc(=O)c2cccc(F)c2[nH]1)[NH+]1CCCC1 ZINC000670441788 547489956 /nfs/dbraw/zinc/48/99/56/547489956.db2.gz XEYVVTZKKZANMJ-INIZCTEOSA-N 1 1 345.418 2.930 50 0 EFAAMO Cc1nnc(CN2C[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)s1 ZINC000670446012 547490074 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CC(C)c1[nH+]ccn1[C@@H](C)C(=O)NCCN1CCc2ccccc21 ZINC000095366354 218299593 /nfs/dbraw/zinc/29/95/93/218299593.db2.gz KHEOWMMBTPMJRP-HNNXBMFYSA-N 1 1 326.444 2.746 50 0 EFAAMO CC(C)c1noc(CCNC(=O)[C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000095368312 218299858 /nfs/dbraw/zinc/29/98/58/218299858.db2.gz YCGCRWQQMQFVQB-CQSZACIVSA-N 1 1 334.464 2.506 50 0 EFAAMO CN(Cc1nccn1Cc1ccccc1)C(=O)[C@@H]1CCCCC[N@H+]1C ZINC000095367278 218299944 /nfs/dbraw/zinc/29/99/44/218299944.db2.gz FRZQUVKWRDTGLP-SFHVURJKSA-N 1 1 340.471 2.764 50 0 EFAAMO Cc1nc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n[nH]1 ZINC000095362172 218295974 /nfs/dbraw/zinc/29/59/74/218295974.db2.gz DRMPEWSIWXKWJJ-ZDUSSCGKSA-N 1 1 327.432 2.590 50 0 EFAAMO Cc1ccc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)nn1 ZINC000095364554 218298081 /nfs/dbraw/zinc/29/80/81/218298081.db2.gz BIEKNGOCYZIEHF-MRXNPFEDSA-N 1 1 334.427 2.809 50 0 EFAAMO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000095375327 218307212 /nfs/dbraw/zinc/30/72/12/218307212.db2.gz HRHNNOSNNWXBRL-FQEVSTJZSA-N 1 1 346.434 2.545 50 0 EFAAMO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000095375327 218307214 /nfs/dbraw/zinc/30/72/14/218307214.db2.gz HRHNNOSNNWXBRL-FQEVSTJZSA-N 1 1 346.434 2.545 50 0 EFAAMO C[N@H+]1CCC[C@@H](CCC(=O)N2CCCN(c3ccccc3)CC2)C1 ZINC000095374865 218307482 /nfs/dbraw/zinc/30/74/82/218307482.db2.gz DFBBXPBSQXNNDF-SFHVURJKSA-N 1 1 329.488 2.847 50 0 EFAAMO C[N@H+]1CCCCC[C@H]1C(=O)N(C/C=C/c1ccccc1)CCCO ZINC000095374916 218307666 /nfs/dbraw/zinc/30/76/66/218307666.db2.gz AHZSZNIZWSEOEE-BEBFYNPSSA-N 1 1 330.472 2.785 50 0 EFAAMO O=C(NCCSc1ccccn1)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095370308 218303031 /nfs/dbraw/zinc/30/30/31/218303031.db2.gz MDPCDVAOEDDLIC-OAHLLOKOSA-N 1 1 333.501 2.945 50 0 EFAAMO Cc1ccc([C@H](C(=O)NCCCn2cc(Cl)cn2)[NH+](C)C)cc1 ZINC000095371000 218304098 /nfs/dbraw/zinc/30/40/98/218304098.db2.gz IYEYQBVNJVKULB-MRXNPFEDSA-N 1 1 334.851 2.654 50 0 EFAAMO CCCCSc1nc(NCc2cn3c(n2)SCC3)cc(N)[nH+]1 ZINC000095371403 218304183 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Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000095379477 218312320 /nfs/dbraw/zinc/31/23/20/218312320.db2.gz WWQXDWZFBUKYGA-SFHVURJKSA-N 1 1 346.450 2.860 50 0 EFAAMO COc1nc(C)cc(C)c1CNC(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000095379791 218312476 /nfs/dbraw/zinc/31/24/76/218312476.db2.gz HDEFHDLUMPOKGO-QGZVFWFLSA-N 1 1 345.418 2.765 50 0 EFAAMO COc1nc(C)cc(C)c1CNC(=O)[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000095379792 218312557 /nfs/dbraw/zinc/31/25/57/218312557.db2.gz HDEFHDLUMPOKGO-KRWDZBQOSA-N 1 1 345.418 2.765 50 0 EFAAMO C[N@H+]1CCCC[C@H]1CCC(=O)N1CC(OCc2ccccc2F)C1 ZINC000095381067 218313655 /nfs/dbraw/zinc/31/36/55/218313655.db2.gz KHCMHUFQPOHVNG-INIZCTEOSA-N 1 1 334.435 2.818 50 0 EFAAMO Cc1ccc([C@H](C(=O)N(C)Cc2cc(C3CC3)n[nH]2)[NH+](C)C)cc1 ZINC000095382130 218314315 /nfs/dbraw/zinc/31/43/15/218314315.db2.gz PVUMCQBSAXDWGX-GOSISDBHSA-N 1 1 326.444 2.857 50 0 EFAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccccc1Cl)c1ccsc1 ZINC000008896022 211015634 /nfs/dbraw/zinc/01/56/34/211015634.db2.gz UDRLCRFGVNJHCI-ZDUSSCGKSA-N 1 1 344.889 2.983 50 0 EFAAMO Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H](c1ccccc1C)[NH+](C)C ZINC000095375959 218308837 /nfs/dbraw/zinc/30/88/37/218308837.db2.gz HHOBJUBJXBUCDR-GOSISDBHSA-N 1 1 328.460 2.607 50 0 EFAAMO Cc1cc(C(F)(F)F)nn1CCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000095376270 218309155 /nfs/dbraw/zinc/30/91/55/218309155.db2.gz MXIQKYUECZGJBB-CYBMUJFWSA-N 1 1 346.397 2.591 50 0 EFAAMO Cc1nc(-c2ccc(CNC(=O)[C@H]3CCCCC[N@@H+]3C)cc2)no1 ZINC000095390453 218321657 /nfs/dbraw/zinc/32/16/57/218321657.db2.gz WXXSLPXPOZSVQF-MRXNPFEDSA-N 1 1 328.416 2.536 50 0 EFAAMO COc1cccc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)c1O ZINC000095390789 218322326 /nfs/dbraw/zinc/32/23/26/218322326.db2.gz KUIXJGQSSVHABY-HZPDHXFCSA-N 1 1 344.455 2.737 50 0 EFAAMO Cc1cc(C(F)(F)F)nc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000095391080 218322658 /nfs/dbraw/zinc/32/26/58/218322658.db2.gz PKOXGIJNYJKRQL-LBPRGKRZSA-N 1 1 344.381 2.685 50 0 EFAAMO C[NH+](C)[C@@H](Cn1cc(-c2cncnc2)nn1)c1ccccc1Cl ZINC000095391640 218322866 /nfs/dbraw/zinc/32/28/66/218322866.db2.gz FIEZHLSNLCFJEL-INIZCTEOSA-N 1 1 328.807 2.691 50 0 EFAAMO CN(C)C(=O)N1C[C@H]2CC[C@H](C[N@@H+]2C/C=C/c2ccc(F)cc2)C1 ZINC000095391649 218323020 /nfs/dbraw/zinc/32/30/20/218323020.db2.gz DKJJWBZYBTWNCM-CMDLKFMISA-N 1 1 331.435 2.917 50 0 EFAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000095386641 218317630 /nfs/dbraw/zinc/31/76/30/218317630.db2.gz IZLSHFKUZYAETQ-KBPBESRZSA-N 1 1 331.243 2.751 50 0 EFAAMO Cc1ccnc(NCCNC(=O)C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000095386377 218317734 /nfs/dbraw/zinc/31/77/34/218317734.db2.gz MMNDRDSFXHMSHE-UHFFFAOYSA-N 1 1 344.503 2.963 50 0 EFAAMO Cc1n[nH]c(C)c1CCCNC(=O)[C@H](c1ccccc1C)[NH+](C)C ZINC000095392740 218324092 /nfs/dbraw/zinc/32/40/92/218324092.db2.gz AWPMJCWMLPEOAP-SFHVURJKSA-N 1 1 328.460 2.687 50 0 EFAAMO O[C@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)C[C@@H]1N1CCCC1 ZINC000097334289 219013053 /nfs/dbraw/zinc/01/30/53/219013053.db2.gz RBRWHOIBIRVSEA-VXKWHMMOSA-N 1 1 336.479 2.959 50 0 EFAAMO O[C@H]1CN(CC(c2ccccc2)c2ccccc2)C[C@@H]1[NH+]1CCCC1 ZINC000097334289 219013056 /nfs/dbraw/zinc/01/30/56/219013056.db2.gz RBRWHOIBIRVSEA-VXKWHMMOSA-N 1 1 336.479 2.959 50 0 EFAAMO CCn1cc(NC(=O)NCC[N@H+]2CC[C@H](c3ccccc3C)C2)cn1 ZINC000097436944 219024955 /nfs/dbraw/zinc/02/49/55/219024955.db2.gz CCBRFNSRMMDPGZ-INIZCTEOSA-N 1 1 341.459 2.822 50 0 EFAAMO CC1(C)C[C@H](C(=O)N2CCC[N@@H+](Cc3cccs3)CC2)CCO1 ZINC000097394047 219021500 /nfs/dbraw/zinc/02/15/00/219021500.db2.gz HWDDWQAHBDLHDS-OAHLLOKOSA-N 1 1 336.501 2.988 50 0 EFAAMO CC1(C)C[C@@H](C(=O)N2CCC[N@@H+](Cc3cccs3)CC2)CCO1 ZINC000097394049 219021905 /nfs/dbraw/zinc/02/19/05/219021905.db2.gz HWDDWQAHBDLHDS-HNNXBMFYSA-N 1 1 336.501 2.988 50 0 EFAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(CO)n3C)C2)s1 ZINC000097492559 219029656 /nfs/dbraw/zinc/02/96/56/219029656.db2.gz LFAWBSDTDWXLHZ-CQSZACIVSA-N 1 1 348.516 2.947 50 0 EFAAMO Cc1[nH]nc(C2CC2)c1C(=O)NCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000097522022 219032310 /nfs/dbraw/zinc/03/23/10/219032310.db2.gz AQSIHJJQJGRXOL-KRWDZBQOSA-N 1 1 338.455 2.815 50 0 EFAAMO Cc1n[nH]c(C2CC2)c1C(=O)NCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000097522022 219032312 /nfs/dbraw/zinc/03/23/12/219032312.db2.gz AQSIHJJQJGRXOL-KRWDZBQOSA-N 1 1 338.455 2.815 50 0 EFAAMO Cc1n[nH]c(C2CC2)c1C(=O)NCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000097522022 219032315 /nfs/dbraw/zinc/03/23/15/219032315.db2.gz AQSIHJJQJGRXOL-KRWDZBQOSA-N 1 1 338.455 2.815 50 0 EFAAMO COc1cc2c(cc1C[N@H+]1CC[C@@H](n3nc(C)cc3C)C1)OCO2 ZINC000097528886 219033878 /nfs/dbraw/zinc/03/38/78/219033878.db2.gz UDOHTCWCJFYPLI-OAHLLOKOSA-N 1 1 329.400 2.684 50 0 EFAAMO c1ccc(C[NH+]2CCC(Cc3nc([C@@H]4CCOC4)n[nH]3)CC2)cc1 ZINC000097547879 219034277 /nfs/dbraw/zinc/03/42/77/219034277.db2.gz HIMHCJCWMMDVCZ-QGZVFWFLSA-N 1 1 326.444 2.763 50 0 EFAAMO c1ccc(C[NH+]2CCC(Cc3n[nH]c([C@@H]4CCOC4)n3)CC2)cc1 ZINC000097547879 219034279 /nfs/dbraw/zinc/03/42/79/219034279.db2.gz HIMHCJCWMMDVCZ-QGZVFWFLSA-N 1 1 326.444 2.763 50 0 EFAAMO Cn1c(CO)nnc1[C@@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000097604119 219039620 /nfs/dbraw/zinc/03/96/20/219039620.db2.gz KCRTUARQXMTBCI-CQSZACIVSA-N 1 1 342.468 2.902 50 0 EFAAMO CC(C)CCc1cc(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)[nH]n1 ZINC000334160883 258016449 /nfs/dbraw/zinc/01/64/49/258016449.db2.gz ODADKPKOSPDBQD-QAPCUYQASA-N 1 1 332.492 2.993 50 0 EFAAMO Cc1[nH+]cn(CC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1C ZINC000299773510 258085160 /nfs/dbraw/zinc/08/51/60/258085160.db2.gz DLKHCPIWYADVBA-HNNXBMFYSA-N 1 1 337.427 2.782 50 0 EFAAMO Cc1[nH+]cn(CC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1C ZINC000299773511 258085666 /nfs/dbraw/zinc/08/56/66/258085666.db2.gz DLKHCPIWYADVBA-OAHLLOKOSA-N 1 1 337.427 2.782 50 0 EFAAMO O=C(NCCc1cnccn1)[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000299776165 258086472 /nfs/dbraw/zinc/08/64/72/258086472.db2.gz NVILERHLDBCAKN-SFHVURJKSA-N 1 1 342.418 2.502 50 0 EFAAMO Cc1[nH+]ccn1CC1(CNc2cc([C@@H]3CCOC3)nc(C)n2)CC1 ZINC000299778567 258088217 /nfs/dbraw/zinc/08/82/17/258088217.db2.gz PGOVYEUGPIUFFP-OAHLLOKOSA-N 1 1 327.432 2.686 50 0 EFAAMO CCc1c(C)nn(CC(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)c1C ZINC000299779714 258089009 /nfs/dbraw/zinc/08/90/09/258089009.db2.gz VDQORFUGKWUTGF-IBGZPJMESA-N 1 1 340.471 2.578 50 0 EFAAMO CCc1c(C)nn(CC(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1C ZINC000299779714 258089010 /nfs/dbraw/zinc/08/90/10/258089010.db2.gz VDQORFUGKWUTGF-IBGZPJMESA-N 1 1 340.471 2.578 50 0 EFAAMO c1nnn2c1CO[C@@H]1CC[N@@H+](Cc3cc(C4CCCCC4)no3)C[C@@H]12 ZINC000299782373 258090733 /nfs/dbraw/zinc/09/07/33/258090733.db2.gz HDRDOWFIPVFICS-ZWKOTPCHSA-N 1 1 343.431 2.660 50 0 EFAAMO c1nnn2c1CO[C@@H]1CC[N@H+](Cc3cc(C4CCCCC4)no3)C[C@@H]12 ZINC000299782373 258090734 /nfs/dbraw/zinc/09/07/34/258090734.db2.gz HDRDOWFIPVFICS-ZWKOTPCHSA-N 1 1 343.431 2.660 50 0 EFAAMO O=C(NCC[N@@H+]1CCCC[C@@H]1CO)Nc1ccc(-c2ccco2)cc1 ZINC000299784481 258091961 /nfs/dbraw/zinc/09/19/61/258091961.db2.gz OOPXEVDIMZWTBV-QGZVFWFLSA-N 1 1 343.427 2.915 50 0 EFAAMO CCn1cc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000299785059 258092605 /nfs/dbraw/zinc/09/26/05/258092605.db2.gz ZCFRELLYGCHOIY-QGZVFWFLSA-N 1 1 341.459 2.855 50 0 EFAAMO CO[C@]12CC[N@@H+](Cc3cc4ccc(C)cc4[nH]c3=O)[C@H]1C[C@@H](O)CC2 ZINC000299789420 258095473 /nfs/dbraw/zinc/09/54/73/258095473.db2.gz ZXJZBTDVFJLVNN-XKGZKEIXSA-N 1 1 342.439 2.753 50 0 EFAAMO CCc1noc(-c2cccc(NC(=O)NCC[C@H]3CCC[N@H+]3C)c2)n1 ZINC000299791845 258097230 /nfs/dbraw/zinc/09/72/30/258097230.db2.gz DGDKYTQBIIHDTL-OAHLLOKOSA-N 1 1 343.431 2.905 50 0 EFAAMO CCCC[N@H+]1CCn2nc(CNC(=O)c3sc(C)nc3C)cc2C1 ZINC000299792999 258097860 /nfs/dbraw/zinc/09/78/60/258097860.db2.gz IGHIFDPLXDCZEY-UHFFFAOYSA-N 1 1 347.488 2.502 50 0 EFAAMO COc1ccccc1CN(c1cc([C@H]2CCOC2)[nH+]c(N)n1)C1CC1 ZINC000299793710 258098709 /nfs/dbraw/zinc/09/87/09/258098709.db2.gz JKCDLFBFTCZWHH-AWEZNQCLSA-N 1 1 340.427 2.740 50 0 EFAAMO CO[C@]12CC[N@H+](Cc3coc(C)n3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000299793520 258098780 /nfs/dbraw/zinc/09/87/80/258098780.db2.gz IIDDWJDWZBNDBX-ZIFCJYIRSA-N 1 1 343.427 2.969 50 0 EFAAMO CO[C@]12CC[N@@H+](Cc3coc(C)n3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000299793520 258098781 /nfs/dbraw/zinc/09/87/81/258098781.db2.gz IIDDWJDWZBNDBX-ZIFCJYIRSA-N 1 1 343.427 2.969 50 0 EFAAMO CCc1[nH+]ccn1CCCNC(=O)c1c(C)oc2c1C(=O)CCC2 ZINC000299796517 258100962 /nfs/dbraw/zinc/10/09/62/258100962.db2.gz OITHWFXIVFQLFM-UHFFFAOYSA-N 1 1 329.400 2.686 50 0 EFAAMO C[N@H+]1CCC[C@@H](CCC(=O)NCc2nc(C3CCCCC3)no2)C1 ZINC000299802074 258104777 /nfs/dbraw/zinc/10/47/77/258104777.db2.gz WNYIIDQHTDKTNZ-AWEZNQCLSA-N 1 1 334.464 2.856 50 0 EFAAMO C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc3ncccc3c2)C[C@H](C)O1 ZINC000299802551 258105343 /nfs/dbraw/zinc/10/53/43/258105343.db2.gz ZGSCVKSFYQRHHP-GASCZTMLSA-N 1 1 342.443 2.856 50 0 EFAAMO O=C1C[C@H]([NH+]2CCCCC2)C(=O)N1c1cccc(Br)c1 ZINC000020082899 258057020 /nfs/dbraw/zinc/05/70/20/258057020.db2.gz LAYKXBMYXJVWKH-ZDUSSCGKSA-N 1 1 337.217 2.567 50 0 EFAAMO CO[C@]12CC[N@@H+](Cc3ccccc3Cl)[C@H]1C[C@H](OCCO)CC2 ZINC000299759575 258076592 /nfs/dbraw/zinc/07/65/92/258076592.db2.gz USKBLEZDOVDZLK-BPQIPLTHSA-N 1 1 339.863 2.861 50 0 EFAAMO O=c1cc([C@@H]2CCC[N@@H+](Cc3cncn3Cc3ccccc3)C2)nc[nH]1 ZINC000299759821 258077574 /nfs/dbraw/zinc/07/75/74/258077574.db2.gz NHMXWDPTOKYKTI-QGZVFWFLSA-N 1 1 349.438 2.807 50 0 EFAAMO Cc1[nH+]ccn1[C@H](C)CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000299761881 258078670 /nfs/dbraw/zinc/07/86/70/258078670.db2.gz ZOVDGXZDGSBFFJ-CQSZACIVSA-N 1 1 332.473 2.549 50 0 EFAAMO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000056997250 132198279 /nfs/dbraw/zinc/19/82/79/132198279.db2.gz RQYVIADGUPHTLJ-UHFFFAOYSA-N 1 1 345.393 2.517 50 0 EFAAMO C[C@@H](C1CCN(Cc2cnc(N3CCCCC3)nc2)CC1)[NH+](C)C ZINC000077287498 286793017 /nfs/dbraw/zinc/79/30/17/286793017.db2.gz DXVWIFIDXVBJRO-INIZCTEOSA-N 1 1 331.508 2.629 50 0 EFAAMO CCn1nc(C)c(C[N@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)c1C ZINC000015076383 544427656 /nfs/dbraw/zinc/42/76/56/544427656.db2.gz NWSMERCEHOSFJE-FQEVSTJZSA-N 1 1 344.503 2.744 50 0 EFAAMO O=C(C[N@H+](CCO)C1CCCCC1)NC12CC3CC(CC(C3)C1)C2 ZINC000023114754 544430987 /nfs/dbraw/zinc/43/09/87/544430987.db2.gz RHEAJPVCKUDLKA-UHFFFAOYSA-N 1 1 334.504 2.698 50 0 EFAAMO COc1cc2c(cc1C[N@H+]1CCC[C@@]3(CN(C)C(=O)O3)CC1)CCC2 ZINC000072133236 274100768 /nfs/dbraw/zinc/10/07/68/274100768.db2.gz BALJCTWHXUXRLX-FQEVSTJZSA-N 1 1 344.455 2.991 50 0 EFAAMO COc1ccc2c(C)cc(N3CCC4(CNC(=O)C4)CC3)[nH+]c2c1 ZINC000065428002 274120960 /nfs/dbraw/zinc/12/09/60/274120960.db2.gz ZICGAQSPMPKLEE-UHFFFAOYSA-N 1 1 325.412 2.658 50 0 EFAAMO C[C@@]1(C(=O)N2CCC[N@H+](C3Cc4ccccc4C3)CC2)CCCCO1 ZINC000077419943 278117460 /nfs/dbraw/zinc/11/74/60/278117460.db2.gz LCDBCXOGABYLLI-NRFANRHFSA-N 1 1 342.483 2.647 50 0 EFAAMO CC(=O)c1c(C)n(-c2ccccc2)c(=S)nc1N1CC[NH+](C)CC1 ZINC000004168972 278241543 /nfs/dbraw/zinc/24/15/43/278241543.db2.gz 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Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000095379476 293098126 /nfs/dbraw/zinc/09/81/26/293098126.db2.gz WWQXDWZFBUKYGA-GOSISDBHSA-N 1 1 346.450 2.860 50 0 EFAAMO Cc1cc(CN2CCC[C@H]2C(N)=O)c(C)c(C[NH+]2CCC(C)CC2)c1 ZINC000223330039 301273439 /nfs/dbraw/zinc/27/34/39/301273439.db2.gz GYFZMGAALAZRBL-FQEVSTJZSA-N 1 1 343.515 2.985 50 0 EFAAMO O=C(CCn1cnc2ccccc21)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000549729110 318181016 /nfs/dbraw/zinc/18/10/16/318181016.db2.gz HPYZKIITRGRUHS-UHFFFAOYSA-N 1 1 340.471 2.761 50 0 EFAAMO Cc1nc(-c2ccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)cc2)n[nH]1 ZINC000566892540 319119345 /nfs/dbraw/zinc/11/93/45/319119345.db2.gz XKIPJQRFGFRVKZ-INIZCTEOSA-N 1 1 327.432 2.983 50 0 EFAAMO CCOc1ccc(Nc2nc(N)nc(C[NH+]3CCCCCC3)n2)cc1 ZINC000001237429 462577908 /nfs/dbraw/zinc/57/79/08/462577908.db2.gz ZJNSDNXMXNLDSH-UHFFFAOYSA-N 1 1 342.447 2.972 50 0 EFAAMO Cc1sc2ncnc(N3CCC([NH2+]Cc4ccn[nH]4)CC3)c2c1C ZINC000095499988 473213517 /nfs/dbraw/zinc/21/35/17/473213517.db2.gz 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329.897 2.884 50 0 EFAAMO COCCCC[NH+]1CCN(C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095528315 473221293 /nfs/dbraw/zinc/22/12/93/473221293.db2.gz HYSVWEJZWHCSKM-GOSISDBHSA-N 1 1 332.488 2.672 50 0 EFAAMO CN(C(=O)[C@@H](c1cccnc1)[NH+]1CCCC1)C1Cc2ccccc2C1 ZINC000095529636 473221436 /nfs/dbraw/zinc/22/14/36/473221436.db2.gz MINROTBXHUHZOL-HXUWFJFHSA-N 1 1 335.451 2.844 50 0 EFAAMO Cc1cc(N2CCC([N@@H+](C)C[C@H]3CCOC3)CC2)nc(C(C)C)n1 ZINC000095531472 473222396 /nfs/dbraw/zinc/22/23/96/473222396.db2.gz NQWJYTXTPRVPPM-MRXNPFEDSA-N 1 1 332.492 2.846 50 0 EFAAMO CC(C)C[N@H+]1CCCn2nc(CNC(=O)Cc3ccccc3)cc2C1 ZINC000082096582 473288140 /nfs/dbraw/zinc/28/81/40/473288140.db2.gz GKAXPVFVVILQNX-UHFFFAOYSA-N 1 1 340.471 2.604 50 0 EFAAMO C[NH+](C)[C@H]1CCCCN(C(=O)Cc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000082125386 473292305 /nfs/dbraw/zinc/29/23/05/473292305.db2.gz SMSXGROPHPZWRX-ZDUSSCGKSA-N 1 1 334.851 2.702 50 0 EFAAMO Nc1ccsc1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000082120737 473292337 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OC[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000012710882 471790374 /nfs/dbraw/zinc/79/03/74/471790374.db2.gz FVVPYBGALMZFRU-LBPRGKRZSA-N 1 1 327.306 2.712 50 0 EFAAMO O=C(COc1ccccc1)N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012713410 471791456 /nfs/dbraw/zinc/79/14/56/471791456.db2.gz NZGJSFNNJDDMOJ-KRWDZBQOSA-N 1 1 342.414 2.985 50 0 EFAAMO O=C(COc1ccccc1)N[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012713410 471791462 /nfs/dbraw/zinc/79/14/62/471791462.db2.gz NZGJSFNNJDDMOJ-KRWDZBQOSA-N 1 1 342.414 2.985 50 0 EFAAMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(N(C)C(C)C)nc2)C1 ZINC000012717981 471791998 /nfs/dbraw/zinc/79/19/98/471791998.db2.gz IAINNDKNOVLGSP-MRXNPFEDSA-N 1 1 332.492 2.634 50 0 EFAAMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(N(C)C(C)C)nc2)C1 ZINC000012717979 471792032 /nfs/dbraw/zinc/79/20/32/471792032.db2.gz IAINNDKNOVLGSP-INIZCTEOSA-N 1 1 332.492 2.634 50 0 EFAAMO CC(C)C[C@H](O)C1CC[NH+](Cc2nc(-c3ccccn3)no2)CC1 ZINC000012746172 471793073 /nfs/dbraw/zinc/79/30/73/471793073.db2.gz 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ZINC000015066792 471888153 /nfs/dbraw/zinc/88/81/53/471888153.db2.gz IPQDPQAHXGLQMC-OAQYLSRUSA-N 1 1 344.499 2.847 50 0 EFAAMO COc1cc(Br)c(C[N@@H+]2CCC[C@@H](CO)C2)cc1OC ZINC000015261104 471894764 /nfs/dbraw/zinc/89/47/64/471894764.db2.gz JTFXTVMDKYJJJH-LLVKDONJSA-N 1 1 344.249 2.671 50 0 EFAAMO COc1cc(Br)c(C[N@H+]2CCC[C@@H](CO)C2)cc1OC ZINC000015261104 471894772 /nfs/dbraw/zinc/89/47/72/471894772.db2.gz JTFXTVMDKYJJJH-LLVKDONJSA-N 1 1 344.249 2.671 50 0 EFAAMO Cc1ccc([C@@H](CNC(=O)c2ccc(Br)o2)[NH+](C)C)o1 ZINC000015860153 471920564 /nfs/dbraw/zinc/92/05/64/471920564.db2.gz WPPZKKYCNACHCR-SNVBAGLBSA-N 1 1 341.205 2.976 50 0 EFAAMO Cc1ccc(C[NH+]2CCN(C(=O)COc3ccccc3F)CC2)cc1 ZINC000016602810 471943924 /nfs/dbraw/zinc/94/39/24/471943924.db2.gz BDGRTYIZHDSPGR-UHFFFAOYSA-N 1 1 342.414 2.857 50 0 EFAAMO C[C@@H]1C[N@H+](C[C@H](O)COCC23CC4CC(CC(C4)C2)C3)C[C@H](C)O1 ZINC000016624236 471944020 /nfs/dbraw/zinc/94/40/20/471944020.db2.gz FBOZRYQGULRQCH-UGNPJNSGSA-N 1 1 337.504 2.690 50 0 EFAAMO CC(=O)N1CCN(c2nc(Nc3ccc(C)cc3)cc(C)[nH+]2)CC1 ZINC000017042537 471952896 /nfs/dbraw/zinc/95/28/96/471952896.db2.gz UUZHUMFMNMFOOY-UHFFFAOYSA-N 1 1 325.416 2.506 50 0 EFAAMO CC(C)c1n[nH]c2c1CN(c1nc(N(C)C)[nH+]c3c1CCCC3)CC2 ZINC000019607210 471981456 /nfs/dbraw/zinc/98/14/56/471981456.db2.gz ZEZUBEIEMROPOC-UHFFFAOYSA-N 1 1 340.475 2.831 50 0 EFAAMO CC(C)c1[nH]nc2c1CN(c1nc(N(C)C)[nH+]c3c1CCCC3)CC2 ZINC000019607210 471981461 /nfs/dbraw/zinc/98/14/61/471981461.db2.gz ZEZUBEIEMROPOC-UHFFFAOYSA-N 1 1 340.475 2.831 50 0 EFAAMO CCOc1ccc(N2C(=O)C[C@@H]([N@H+]3CCCC[C@H]3CC)C2=O)cc1 ZINC000033293646 471981592 /nfs/dbraw/zinc/98/15/92/471981592.db2.gz DEYMRGFPFBMRFM-RHSMWYFYSA-N 1 1 330.428 2.982 50 0 EFAAMO Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000035107843 471994342 /nfs/dbraw/zinc/99/43/42/471994342.db2.gz WETNHZVOLPIATI-CRAIPNDOSA-N 1 1 339.487 2.699 50 0 biogenic EFAAMO O=S(=O)(c1ccccc1Cl)N1CC[NH+](C2CCCCC2)CC1 ZINC000036520575 472001557 /nfs/dbraw/zinc/00/15/57/472001557.db2.gz ADZNYXMAGFOBIF-UHFFFAOYSA-N 1 1 342.892 2.979 50 0 EFAAMO Nc1cc(N2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)nc[nH+]1 ZINC000067690524 472073058 /nfs/dbraw/zinc/07/30/58/472073058.db2.gz RNYMHRQAHOVOFW-CYBMUJFWSA-N 1 1 338.390 2.972 50 0 EFAAMO Cc1ccc[nH+]c1N1CCN(C(=O)c2nc(C(C)C)cs2)CC1 ZINC000067726405 472079674 /nfs/dbraw/zinc/07/96/74/472079674.db2.gz RSZNEQLKSIZQBI-UHFFFAOYSA-N 1 1 330.457 2.932 50 0 EFAAMO Nc1cc[nH+]c(N2CCC(CO)(Cc3ccc(Cl)cc3)CC2)n1 ZINC000067821394 472094135 /nfs/dbraw/zinc/09/41/35/472094135.db2.gz OOVMWRXAJSHQSK-UHFFFAOYSA-N 1 1 332.835 2.534 50 0 EFAAMO CCn1cc(NC(=O)N2CCC[N@@H+](Cc3cccs3)CC2)cn1 ZINC000043644926 472250318 /nfs/dbraw/zinc/25/03/18/472250318.db2.gz LMMHSXRTAPHHRV-UHFFFAOYSA-N 1 1 333.461 2.704 50 0 EFAAMO Cn1cc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000069454079 472347971 /nfs/dbraw/zinc/34/79/71/472347971.db2.gz PLHQDJNAVFKZIO-OALUTQOASA-N 1 1 338.455 2.689 50 0 EFAAMO COc1ccccc1NC(=S)NC[C@@H](c1cccnc1)[NH+](C)C ZINC000057011206 472373232 /nfs/dbraw/zinc/37/32/32/472373232.db2.gz FBQAZQMISHOYQX-HNNXBMFYSA-N 1 1 330.457 2.680 50 0 EFAAMO Cc1nnsc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000032497954 472440906 /nfs/dbraw/zinc/44/09/06/472440906.db2.gz QXWCLBLSCRKWTJ-HNNXBMFYSA-N 1 1 330.457 2.804 50 0 EFAAMO CCc1[nH]nc(C(=O)NCC[N@H+]2CC[C@H](c3ccccc3C)C2)c1C ZINC000097155857 472465627 /nfs/dbraw/zinc/46/56/27/472465627.db2.gz DTHSNLWJSXYDEP-INIZCTEOSA-N 1 1 340.471 2.808 50 0 EFAAMO CCc1n[nH]c(C(=O)NCC[N@@H+]2CC[C@H](c3ccccc3C)C2)c1C ZINC000097155857 472465634 /nfs/dbraw/zinc/46/56/34/472465634.db2.gz DTHSNLWJSXYDEP-INIZCTEOSA-N 1 1 340.471 2.808 50 0 EFAAMO CCc1n[nH]c(C(=O)NCC[N@H+]2CC[C@H](c3ccccc3C)C2)c1C ZINC000097155857 472465641 /nfs/dbraw/zinc/46/56/41/472465641.db2.gz DTHSNLWJSXYDEP-INIZCTEOSA-N 1 1 340.471 2.808 50 0 EFAAMO Cc1ccnc(NC[C@H]2CC[N@H+](CC(=O)N3CCCCCC3)C2)c1 ZINC000097200686 472476148 /nfs/dbraw/zinc/47/61/48/472476148.db2.gz NXEQFEGQGPAIIH-QGZVFWFLSA-N 1 1 330.476 2.526 50 0 EFAAMO Cc1ccnc(NC[C@H]2CC[N@@H+](CC(=O)N3CCCCCC3)C2)c1 ZINC000097200686 472476156 /nfs/dbraw/zinc/47/61/56/472476156.db2.gz NXEQFEGQGPAIIH-QGZVFWFLSA-N 1 1 330.476 2.526 50 0 EFAAMO Cc1ccc(NC[C@@H]2CC[N@H+](CC(=O)NCc3cccs3)C2)nc1 ZINC000097200757 472476782 /nfs/dbraw/zinc/47/67/82/472476782.db2.gz WUOKIQGGEZRKFL-HNNXBMFYSA-N 1 1 344.484 2.502 50 0 EFAAMO Cc1ccc(NC[C@@H]2CC[N@@H+](CC(=O)NCc3cccs3)C2)nc1 ZINC000097200757 472476791 /nfs/dbraw/zinc/47/67/91/472476791.db2.gz WUOKIQGGEZRKFL-HNNXBMFYSA-N 1 1 344.484 2.502 50 0 EFAAMO CN(C)c1nc(N2CCC[C@H](c3ncc[nH]3)C2)c2c([nH+]1)CCCC2 ZINC000077301031 472497434 /nfs/dbraw/zinc/49/74/34/472497434.db2.gz ABMVFKJAJYUSSZ-ZDUSSCGKSA-N 1 1 326.448 2.529 50 0 EFAAMO O=C1N[C@H]2CCC[C@@H]1C[N@@H+](CC1=Cc3cc(Cl)ccc3OC1)C2 ZINC000097743217 472507328 /nfs/dbraw/zinc/50/73/28/472507328.db2.gz WEWPODNQSZGIML-CJNGLKHVSA-N 1 1 332.831 2.716 50 0 EFAAMO C[NH+](C)Cc1ccc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)o1 ZINC000097784852 472507549 /nfs/dbraw/zinc/50/75/49/472507549.db2.gz YBYUYTMOWATYQN-CYBMUJFWSA-N 1 1 327.306 2.770 50 0 EFAAMO CC[C@@H]1CN(C(=O)c2ccc(SCCO)cc2)CC[N@H+]1C(C)C ZINC000077355485 472511357 /nfs/dbraw/zinc/51/13/57/472511357.db2.gz PQYUNHMSIHYKSH-MRXNPFEDSA-N 1 1 336.501 2.716 50 0 EFAAMO COCc1ccc(C(=O)N2CCC[N@H+](Cc3cccs3)CC2)o1 ZINC000077375191 472514938 /nfs/dbraw/zinc/51/49/38/472514938.db2.gz IJUGKFORFMIQPD-UHFFFAOYSA-N 1 1 334.441 2.836 50 0 EFAAMO COCc1ccc(C(=O)N2CCC[N@@H+](Cc3cccs3)CC2)o1 ZINC000077375191 472514941 /nfs/dbraw/zinc/51/49/41/472514941.db2.gz IJUGKFORFMIQPD-UHFFFAOYSA-N 1 1 334.441 2.836 50 0 EFAAMO Cc1ccnn1CC[N@H+]1CCC[C@]2(CCC(=O)N(C3CCCC3)C2)C1 ZINC000077377260 472515479 /nfs/dbraw/zinc/51/54/79/472515479.db2.gz MYERKZMUABYWOJ-FQEVSTJZSA-N 1 1 344.503 2.839 50 0 EFAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)Cn1cnc2ccccc21 ZINC000077376597 472515577 /nfs/dbraw/zinc/51/55/77/472515577.db2.gz SHOHHWDYXXXVEA-SFHVURJKSA-N 1 1 348.450 2.551 50 0 EFAAMO CCOC(=O)C[C@@H]1CCCC[N@H+]1Cc1[nH]nc2ccc(OC)cc21 ZINC000077379876 472516909 /nfs/dbraw/zinc/51/69/09/472516909.db2.gz ZZFNHFASLYZFAO-ZDUSSCGKSA-N 1 1 331.416 2.879 50 0 EFAAMO C[N@H+]1CC[C@H]2CN(C(=O)c3csc(Cc4ccccc4)n3)C[C@H]21 ZINC000077379010 472517159 /nfs/dbraw/zinc/51/71/59/472517159.db2.gz KVLQQYQUVJCJPT-GOEBONIOSA-N 1 1 327.453 2.510 50 0 EFAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1ccc2c(c1)CCO2 ZINC000077385916 472518148 /nfs/dbraw/zinc/51/81/48/472518148.db2.gz RAOXHMOKESYHNF-IBGZPJMESA-N 1 1 336.435 2.750 50 0 EFAAMO O=C(c1ccc2nonc2c1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000077407022 472522367 /nfs/dbraw/zinc/52/23/67/472522367.db2.gz NXVPFIAVYYZMMX-UHFFFAOYSA-N 1 1 342.424 2.632 50 0 EFAAMO CC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2nc1C ZINC000077438586 472527717 /nfs/dbraw/zinc/52/77/17/472527717.db2.gz RRLVDOVYJWMEIU-INIZCTEOSA-N 1 1 326.444 2.819 50 0 EFAAMO O=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000077470761 472532637 /nfs/dbraw/zinc/53/26/37/472532637.db2.gz PMBKZESWDGJOKS-QYZOEREBSA-N 1 1 325.456 2.718 50 0 EFAAMO O=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000077470761 472532641 /nfs/dbraw/zinc/53/26/41/472532641.db2.gz PMBKZESWDGJOKS-QYZOEREBSA-N 1 1 325.456 2.718 50 0 EFAAMO CCCCc1noc([C@@H](C)[NH+]2CCC(c3ccnn3CCO)CC2)n1 ZINC000058298968 472539704 /nfs/dbraw/zinc/53/97/04/472539704.db2.gz GADQAHFGMNAVAP-CQSZACIVSA-N 1 1 347.463 2.542 50 0 EFAAMO CC[N@H+]1C[C@H](NC(=O)c2cc(C)nc3c(C)cc(C)cc23)[C@@H](OC)C1 ZINC000077503299 472541231 /nfs/dbraw/zinc/54/12/31/472541231.db2.gz MCQBOSJPASNQNZ-ROUUACIJSA-N 1 1 341.455 2.609 50 0 EFAAMO O[C@]1(C[NH+]2CCCCC2)CCN(Cc2cnc(CC3CCCC3)[nH]2)C1 ZINC000077505042 472541432 /nfs/dbraw/zinc/54/14/32/472541432.db2.gz DCXHUGNPBRKBPA-FQEVSTJZSA-N 1 1 346.519 2.565 50 0 EFAAMO Cc1ncc(C[N@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)s1 ZINC000071278835 472545966 /nfs/dbraw/zinc/54/59/66/472545966.db2.gz DCQUHFLFCAAVST-LSDHHAIUSA-N 1 1 332.425 2.531 50 0 EFAAMO CCc1oc(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1CN1CCCC1 ZINC000071278657 472546466 /nfs/dbraw/zinc/54/64/66/472546466.db2.gz NVDRMPXSRKDHER-OAHLLOKOSA-N 1 1 333.476 2.509 50 0 EFAAMO CCc1oc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1CN1CCCC1 ZINC000071278657 472546473 /nfs/dbraw/zinc/54/64/73/472546473.db2.gz NVDRMPXSRKDHER-OAHLLOKOSA-N 1 1 333.476 2.509 50 0 EFAAMO c1ncn(C2CCCC2)c1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000077520434 472546438 /nfs/dbraw/zinc/54/64/38/472546438.db2.gz SRUYTCWVQYGBTB-SFHVURJKSA-N 1 1 332.492 2.685 50 0 EFAAMO COc1c(CNCC(C)(C)[N@@H+]2CCc3ccccc3C2)c(C)nn1C ZINC000058329513 472547797 /nfs/dbraw/zinc/54/77/97/472547797.db2.gz DTVBZUNMPLDBRX-UHFFFAOYSA-N 1 1 342.487 2.664 50 0 EFAAMO COc1c(CNCC(C)(C)[N@H+]2CCc3ccccc3C2)c(C)nn1C ZINC000058329513 472547802 /nfs/dbraw/zinc/54/78/02/472547802.db2.gz DTVBZUNMPLDBRX-UHFFFAOYSA-N 1 1 342.487 2.664 50 0 EFAAMO COc1c(C[NH2+]Cc2ccc(N3CCC(C)CC3)nc2)c(C)nn1C ZINC000058332743 472549551 /nfs/dbraw/zinc/54/95/51/472549551.db2.gz PJLOHGHHFHDPGF-UHFFFAOYSA-N 1 1 343.475 2.658 50 0 EFAAMO CC(C)=CC[N@H+]1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077538193 472550475 /nfs/dbraw/zinc/55/04/75/472550475.db2.gz UQOHGENMHHJZAO-HXUWFJFHSA-N 1 1 342.487 2.956 50 0 EFAAMO CNC(=O)c1ccc(CN2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)o1 ZINC000071745302 472555720 /nfs/dbraw/zinc/55/57/20/472555720.db2.gz PTHTWAMDHUFVPK-KRWDZBQOSA-N 1 1 333.476 2.582 50 0 EFAAMO CC[C@@H]1C[N@H+](Cc2ccc(CO)o2)CCC(=O)N1Cc1ccccc1 ZINC000071714917 472556291 /nfs/dbraw/zinc/55/62/91/472556291.db2.gz NKOOKCLKWKYZBK-QGZVFWFLSA-N 1 1 342.439 2.785 50 0 EFAAMO CC[C@@H]1C[N@@H+](Cc2ccc(CO)o2)CCC(=O)N1Cc1ccccc1 ZINC000071714917 472556295 /nfs/dbraw/zinc/55/62/95/472556295.db2.gz NKOOKCLKWKYZBK-QGZVFWFLSA-N 1 1 342.439 2.785 50 0 EFAAMO COCCC[N@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071735596 472557015 /nfs/dbraw/zinc/55/70/15/472557015.db2.gz XGNWXTOPZGZXIZ-GOSISDBHSA-N 1 1 336.451 2.921 50 0 EFAAMO CCC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071750235 472557965 /nfs/dbraw/zinc/55/79/65/472557965.db2.gz FWNSVWAJGZZEQN-QGZVFWFLSA-N 1 1 334.435 2.864 50 0 EFAAMO CCC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071750235 472557972 /nfs/dbraw/zinc/55/79/72/472557972.db2.gz FWNSVWAJGZZEQN-QGZVFWFLSA-N 1 1 334.435 2.864 50 0 EFAAMO CC[N@@H+](C)CC(=O)N1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1 ZINC000071747191 472558540 /nfs/dbraw/zinc/55/85/40/472558540.db2.gz NKFRYUPBSRYGKF-LJQANCHMSA-N 1 1 342.439 2.700 50 0 EFAAMO O=C([C@@H]1CCC[N@H+](C2CCN(Cc3ccco3)CC2)C1)N1CCCC1 ZINC000071747317 472558861 /nfs/dbraw/zinc/55/88/61/472558861.db2.gz HWACAVZHRNYMNB-QGZVFWFLSA-N 1 1 345.487 2.578 50 0 EFAAMO Cc1cccnc1N1CC[NH+](Cc2c[nH]c3cc(=O)ccc-3c2)CC1 ZINC000071752439 472559704 /nfs/dbraw/zinc/55/97/04/472559704.db2.gz SSDHFYHDAGGGCR-UHFFFAOYSA-N 1 1 334.423 2.966 50 0 EFAAMO CC[C@@H]1C[N@@H+](C2CCN(CC)CC2)CCC(=O)N1Cc1ccccc1 ZINC000071753280 472560657 /nfs/dbraw/zinc/56/06/57/472560657.db2.gz CDZIMGXZQCUSEP-LJQANCHMSA-N 1 1 343.515 2.984 50 0 EFAAMO CC[C@@H]1C[N@H+](C2CCN(CC)CC2)CCC(=O)N1Cc1ccccc1 ZINC000071753280 472560664 /nfs/dbraw/zinc/56/06/64/472560664.db2.gz CDZIMGXZQCUSEP-LJQANCHMSA-N 1 1 343.515 2.984 50 0 EFAAMO COc1cccnc1C(=O)N1CCC[N@@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000071763492 472561657 /nfs/dbraw/zinc/56/16/57/472561657.db2.gz HSCKIMRRQQWHKL-MRXNPFEDSA-N 1 1 331.460 2.673 50 0 EFAAMO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@H+](C)C[C@@H](O)CO ZINC000071767454 472563219 /nfs/dbraw/zinc/56/32/19/472563219.db2.gz UFZVNTHDCMDBKC-QGZVFWFLSA-N 1 1 326.396 2.588 50 0 EFAAMO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@@H+](C)C[C@@H](O)CO ZINC000071767454 472563223 /nfs/dbraw/zinc/56/32/23/472563223.db2.gz UFZVNTHDCMDBKC-QGZVFWFLSA-N 1 1 326.396 2.588 50 0 EFAAMO CC(C)c1ccc(C(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)c(=O)[nH]1 ZINC000071774471 472563963 /nfs/dbraw/zinc/56/39/63/472563963.db2.gz KWOXHJCWPXYTAH-SFHVURJKSA-N 1 1 339.439 2.627 50 0 EFAAMO CC(C)c1ccc(C(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(=O)[nH]1 ZINC000071774471 472563970 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336.395 2.978 50 0 EFAAMO Cc1ccc(OCCCN(C)C(=O)NC[C@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000426535886 477716571 /nfs/dbraw/zinc/71/65/71/477716571.db2.gz NWUYOUKYJROCJS-QGZVFWFLSA-N 1 1 333.476 2.665 50 0 EFAAMO CCc1[nH+]ccn1CCNC(=O)c1ccc(-c2ccc(C)nn2)cc1 ZINC000426535961 477716741 /nfs/dbraw/zinc/71/67/41/477716741.db2.gz VUTMREHZYPLBFP-UHFFFAOYSA-N 1 1 335.411 2.641 50 0 EFAAMO CC[N@H+]1CC[C@@H](CNC(=O)N(C)Cc2cc(-c3ccccc3)on2)C1 ZINC000426535907 477717071 /nfs/dbraw/zinc/71/70/71/477717071.db2.gz PSCYTNXMAKHQCQ-HNNXBMFYSA-N 1 1 342.443 2.825 50 0 EFAAMO CO[C@]12CC[N@@H+](Cc3cc(C)ccc3F)[C@H]1C[C@H](OCCO)CC2 ZINC000426555893 477720444 /nfs/dbraw/zinc/72/04/44/477720444.db2.gz LTKKVQRCBDXWDV-NZSAHSFTSA-N 1 1 337.435 2.655 50 0 EFAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)CCCO2 ZINC000426584144 477722075 /nfs/dbraw/zinc/72/20/75/477722075.db2.gz WFSJYUMHVAPPAH-UHFFFAOYSA-N 1 1 336.435 2.800 50 0 EFAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)c2cccc(-c3cncnc3)c2)C1 ZINC000426589965 477723250 /nfs/dbraw/zinc/72/32/50/477723250.db2.gz LCFZEOZGQYRLIZ-OAHLLOKOSA-N 1 1 336.439 2.842 50 0 EFAAMO COCCN(Cc1ccc(C)s1)C(=O)NC[C@@]1(C)CC[N@@H+](C)C1 ZINC000426589944 477723364 /nfs/dbraw/zinc/72/33/64/477723364.db2.gz HAGPPZJTOZNSGY-QGZVFWFLSA-N 1 1 339.505 2.556 50 0 EFAAMO CO[C@]12CC[N@@H+](Cc3cc(C)n[nH]3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426606805 477724323 /nfs/dbraw/zinc/72/43/23/477724323.db2.gz VEPQBQOUWHUCBY-JENIJYKNSA-N 1 1 342.443 2.704 50 0 EFAAMO CO[C@]12CC[N@@H+](Cc3cc(C)no3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426634292 477729214 /nfs/dbraw/zinc/72/92/14/477729214.db2.gz ODKSDOLVXVGNJQ-HHXXYDBFSA-N 1 1 343.427 2.969 50 0 EFAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(c4ncccn4)C3)C2)c1 ZINC000426683796 477737568 /nfs/dbraw/zinc/73/75/68/477737568.db2.gz KISWJUGOXOCGDF-FQEVSTJZSA-N 1 1 338.455 2.978 50 0 EFAAMO CC[N@@H+]1CCC[C@@H]1CSc1nnc(CN)n1-c1ccccc1C ZINC000426693868 477739207 /nfs/dbraw/zinc/73/92/07/477739207.db2.gz UIQURJDIVCJMMP-CQSZACIVSA-N 1 1 331.489 2.611 50 0 EFAAMO CC[N@H+]1CCC[C@@H]1CSc1nnc(CN)n1-c1ccccc1C ZINC000426693868 477739212 /nfs/dbraw/zinc/73/92/12/477739212.db2.gz UIQURJDIVCJMMP-CQSZACIVSA-N 1 1 331.489 2.611 50 0 EFAAMO COc1ccc(Cl)cc1CN(C)c1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000426705634 477740037 /nfs/dbraw/zinc/74/00/37/477740037.db2.gz GYYPDCMTYBBIJN-NSHDSACASA-N 1 1 348.834 2.861 50 0 EFAAMO COCC[N@H+]1CCC[C@H](CNC(=O)N(C)C/C=C/c2ccccc2)C1 ZINC000426740380 477745590 /nfs/dbraw/zinc/74/55/90/477745590.db2.gz GHOTWVRRPRAMNW-ZAOIQFLMSA-N 1 1 345.487 2.700 50 0 EFAAMO O=C(c1ccc(-c2ccc(O)cn2)cc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000534578234 478160078 /nfs/dbraw/zinc/16/00/78/478160078.db2.gz ODVADUSYZIUIQX-KRWDZBQOSA-N 1 1 337.423 2.765 50 0 EFAAMO CC[N@@H+](C)[C@H](C)CCNC(=O)N1CCCOc2c(cccc2OC)C1 ZINC000534584079 478160798 /nfs/dbraw/zinc/16/07/98/478160798.db2.gz GWKUXUMGSXGJLL-OAHLLOKOSA-N 1 1 349.475 2.720 50 0 EFAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC(c2ccncc2)CC1 ZINC000534590124 478161012 /nfs/dbraw/zinc/16/10/12/478161012.db2.gz XXFPEPHTJBLJBG-MRXNPFEDSA-N 1 1 330.476 2.845 50 0 EFAAMO O=C(NCc1cc(Cl)ccc1Cl)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000534658867 478166737 /nfs/dbraw/zinc/16/67/37/478166737.db2.gz AAZFVMRPRHCRHP-CYBMUJFWSA-N 1 1 328.243 2.983 50 0 EFAAMO Cc1nc2ccc(C(=O)NC[C@@H]3Cc4ccccc4C[N@H+]3C)cc2o1 ZINC000584885938 479271507 /nfs/dbraw/zinc/27/15/07/479271507.db2.gz OKIZGVVOCIHBMU-KRWDZBQOSA-N 1 1 335.407 2.923 50 0 EFAAMO Cc1nc2ccc(C(=O)NC[C@@H]3Cc4ccccc4C[N@@H+]3C)cc2o1 ZINC000584885938 479271516 /nfs/dbraw/zinc/27/15/16/479271516.db2.gz OKIZGVVOCIHBMU-KRWDZBQOSA-N 1 1 335.407 2.923 50 0 EFAAMO CCc1[nH+]ccn1CCC(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000584898810 479275945 /nfs/dbraw/zinc/27/59/45/479275945.db2.gz XMSDNJOUFLNENV-OAHLLOKOSA-N 1 1 337.427 2.899 50 0 EFAAMO Cc1cc(C)nc(C[N@H+](C)[C@@H](C)Cn2cnc3ccccc3c2=O)c1 ZINC000584900654 479276859 /nfs/dbraw/zinc/27/68/59/479276859.db2.gz ZMCVGKGDOHFVOZ-INIZCTEOSA-N 1 1 336.439 2.929 50 0 EFAAMO CC(=O)N1CCC([N@H+]2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)CC1 ZINC000584904391 479277758 /nfs/dbraw/zinc/27/77/58/479277758.db2.gz BFRAASKCBXSFQW-PMACEKPBSA-N 1 1 333.520 2.726 50 0 EFAAMO CC(=O)N1CCC(N2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)CC1 ZINC000584904391 479277764 /nfs/dbraw/zinc/27/77/64/479277764.db2.gz BFRAASKCBXSFQW-PMACEKPBSA-N 1 1 333.520 2.726 50 0 EFAAMO CC(=O)N1CCC(N2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)CC1 ZINC000584904391 479277767 /nfs/dbraw/zinc/27/77/67/479277767.db2.gz BFRAASKCBXSFQW-PMACEKPBSA-N 1 1 333.520 2.726 50 0 EFAAMO CCc1ocnc1C(=O)NC[C@H](c1cccnc1)[NH+]1CCCCC1 ZINC000584904151 479277783 /nfs/dbraw/zinc/27/77/83/479277783.db2.gz GYUJJMNBFLMMFY-OAHLLOKOSA-N 1 1 328.416 2.589 50 0 EFAAMO CC(C)(C)OC(=O)Nc1ccsc1C[N@@H+]1CCCN(C=O)CC1 ZINC000585136298 479296542 /nfs/dbraw/zinc/29/65/42/479296542.db2.gz ABWLSFROTRBNQE-UHFFFAOYSA-N 1 1 339.461 2.759 50 0 EFAAMO CC(C)(C)OC(=O)Nc1ccsc1C[N@H+]1CCCN(C=O)CC1 ZINC000585136298 479296545 /nfs/dbraw/zinc/29/65/45/479296545.db2.gz ABWLSFROTRBNQE-UHFFFAOYSA-N 1 1 339.461 2.759 50 0 EFAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC(Oc3ccc(F)cc3)C2)C1 ZINC000426370096 535170219 /nfs/dbraw/zinc/17/02/19/535170219.db2.gz SQGNQTRYPWOLCK-OAHLLOKOSA-N 1 1 349.450 2.719 50 0 EFAAMO CN(C)Cc1csc(C[NH+]2CCC(O)(c3cccnc3)CC2)c1 ZINC000215987544 536060146 /nfs/dbraw/zinc/06/01/46/536060146.db2.gz KOPSBDRUQBXPKY-UHFFFAOYSA-N 1 1 331.485 2.688 50 0 EFAAMO C[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)CC(C)(C)N1CCOCC1 ZINC000215160622 536434475 /nfs/dbraw/zinc/43/44/75/536434475.db2.gz ZWYAKSNNZKQWON-FQEVSTJZSA-N 1 1 345.531 2.551 50 0 EFAAMO C[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)CC(C)(C)N1CCOCC1 ZINC000215160622 536434478 /nfs/dbraw/zinc/43/44/78/536434478.db2.gz ZWYAKSNNZKQWON-FQEVSTJZSA-N 1 1 345.531 2.551 50 0 EFAAMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)C1CCOCC1 ZINC000244659709 536572811 /nfs/dbraw/zinc/57/28/11/536572811.db2.gz HHQIBNWNSOPGFG-UHFFFAOYSA-N 1 1 326.824 2.788 50 0 EFAAMO Cc1[nH+]cn(CCNC(=O)N(Cc2ccncc2)CC(C)C)c1C ZINC000670434040 547488319 /nfs/dbraw/zinc/48/83/19/547488319.db2.gz 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ZINC000670451568 547491774 /nfs/dbraw/zinc/49/17/74/547491774.db2.gz YUWGVRNMFIYTEO-QGZVFWFLSA-N 1 1 328.391 2.573 50 0 EFAAMO O=C(CSc1ccccn1)NCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000670454422 547492379 /nfs/dbraw/zinc/49/23/79/547492379.db2.gz WRMMFLZANKURDR-KRWDZBQOSA-N 1 1 341.480 2.779 50 0 EFAAMO O=C(CN1CCCC1)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000670456659 547492996 /nfs/dbraw/zinc/49/29/96/547492996.db2.gz ODFKOJPLOJMHMB-LJQANCHMSA-N 1 1 329.488 2.816 50 0 EFAAMO COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3cc[nH]n3)C1)OCCCO2 ZINC000670465591 547494352 /nfs/dbraw/zinc/49/43/52/547494352.db2.gz SHSUAVVCCIPDSG-CQSZACIVSA-N 1 1 343.427 2.959 50 0 EFAAMO COc1cccc(N2CCC([N@H+]3CCC[C@H](c4nnc[nH]4)C3)CC2)c1 ZINC000670469578 547495170 /nfs/dbraw/zinc/49/51/70/547495170.db2.gz LTXDYKXIZIYPKP-HNNXBMFYSA-N 1 1 341.459 2.662 50 0 EFAAMO COc1cccc(N2CCC([N@H+]3CCC[C@@H](c4nnc[nH]4)C3)CC2)c1 ZINC000670469579 547495288 /nfs/dbraw/zinc/49/52/88/547495288.db2.gz LTXDYKXIZIYPKP-OAHLLOKOSA-N 1 1 341.459 2.662 50 0 EFAAMO CCc1nccc(C[N@@H+](C)CC2(N3CCOCC3)CCCCC2)n1 ZINC000216002625 564033742 /nfs/dbraw/zinc/03/37/42/564033742.db2.gz VTBAAIYOQGCESE-UHFFFAOYSA-N 1 1 332.492 2.506 50 0 EFAAMO CCc1nccc(CN(C)CC2([NH+]3CCOCC3)CCCCC2)n1 ZINC000216002625 564033743 /nfs/dbraw/zinc/03/37/43/564033743.db2.gz VTBAAIYOQGCESE-UHFFFAOYSA-N 1 1 332.492 2.506 50 0 EFAAMO Cc1cc(C)cc(N2CCC([N@@H+]3C[C@H]4CCCN4C(=O)[C@H]3C)CC2)c1 ZINC001772704216 1249288957 /nfs/dbraw/zinc/28/89/57/1249288957.db2.gz PRBAPUXZEZJTEM-IEBWSBKVSA-N 1 1 341.499 2.967 50 0 EFAAMO OC[C@@]12C[N@@H+](Cc3ccc4cc(Cl)ccc4n3)C[C@@H]1COCC2 ZINC001772705960 1249291310 /nfs/dbraw/zinc/29/13/10/1249291310.db2.gz LIIMVFIZGNGRRJ-RDTXWAMCSA-N 1 1 332.831 2.719 50 0 EFAAMO CN(C)c1nc(NC[C@H]2CCC[N@@H+](Cc3ccco3)C2)ncc1F ZINC001772710482 1249297755 /nfs/dbraw/zinc/29/77/55/1249297755.db2.gz ARPJBBVFWMWMDY-CYBMUJFWSA-N 1 1 333.411 2.599 50 0 EFAAMO O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000012307097 1265850399 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CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1CN1CCOCC1 ZINC000822718117 1265125348 /nfs/dbraw/zinc/12/53/48/1265125348.db2.gz ARFCTJRHEMHTCB-SFHVURJKSA-N 1 1 345.487 2.722 50 0 EFAAMO CN(CC[N@@H+](C)C1CCCC1)C(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 ZINC000012597617 1265317572 /nfs/dbraw/zinc/31/75/72/1265317572.db2.gz BDSMFSUWPGLICC-INIZCTEOSA-N 1 1 349.519 2.500 50 0 EFAAMO CN(C)C(=O)c1cccc(NC[C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000823639132 1265403629 /nfs/dbraw/zinc/40/36/29/1265403629.db2.gz ABRDTUMJOTUMQW-HNNXBMFYSA-N 1 1 330.476 2.850 50 0 EFAAMO COc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3F)C2)ccn1 ZINC000824852078 1266956998 /nfs/dbraw/zinc/95/69/98/1266956998.db2.gz PMMGSNAEXLAJGD-INIZCTEOSA-N 1 1 343.402 2.624 50 0 EFAAMO COc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)ccn1 ZINC000824852078 1266957004 /nfs/dbraw/zinc/95/70/04/1266957004.db2.gz PMMGSNAEXLAJGD-INIZCTEOSA-N 1 1 343.402 2.624 50 0 EFAAMO CSc1ncc(C[NH2+]C2CCN(CCc3ccccc3)CC2)n1C ZINC000824958816 1266972546 /nfs/dbraw/zinc/97/25/46/1266972546.db2.gz 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ZINC000828925473 1268000399 /nfs/dbraw/zinc/00/03/99/1268000399.db2.gz YAMHGCZXUQDCJE-MRXNPFEDSA-N 1 1 342.443 2.564 50 0 EFAAMO O=C(NCC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1cccc(=O)[nH]1 ZINC000828928391 1268000485 /nfs/dbraw/zinc/00/04/85/1268000485.db2.gz QTILEGUXXWCCPI-KRWDZBQOSA-N 1 1 339.439 2.962 50 0 EFAAMO Cc1ccc([C@H]2N[C@@H](CO)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(F)c1 ZINC000065397083 1271192433 /nfs/dbraw/zinc/19/24/33/1271192433.db2.gz WFJRGIOZHHQZSG-IZZBFERCSA-N 1 1 340.442 2.888 50 0 EFAAMO Cc1ccc([C@H]2N[C@@H](CO)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(F)c1 ZINC000065397083 1271192438 /nfs/dbraw/zinc/19/24/38/1271192438.db2.gz WFJRGIOZHHQZSG-IZZBFERCSA-N 1 1 340.442 2.888 50 0 EFAAMO Clc1ccccc1C[N@H+]1CCc2nnc([C@@H]3CCCO3)n2CC1 ZINC000200542463 1275492069 /nfs/dbraw/zinc/49/20/69/1275492069.db2.gz RYPIOXXCDGDQCR-HNNXBMFYSA-N 1 1 332.835 2.841 50 0 EFAAMO Clc1ccccc1C[N@@H+]1CCc2nnc([C@@H]3CCCO3)n2CC1 ZINC000200542463 1275492073 /nfs/dbraw/zinc/49/20/73/1275492073.db2.gz 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C[C@@H](C[NH+]1CCC(CN2CCOCC2)CC1)n1cnc2ccccc21 ZINC000019112625 1314393899 /nfs/dbraw/zinc/39/38/99/1314393899.db2.gz HMMOMFKCWLQBTP-KRWDZBQOSA-N 1 1 342.487 2.642 50 0 EFAAMO CC(C)CN1C[C@H](OCc2ccccc2)C[N@@H+](C2CCC2)CC1=O ZINC000014732049 1311230121 /nfs/dbraw/zinc/23/01/21/1311230121.db2.gz PTYXEIOIRMWKRG-LJQANCHMSA-N 1 1 330.472 2.925 50 0 EFAAMO CC(C)CN1C[C@H](OCc2ccccc2)C[N@H+](C2CCC2)CC1=O ZINC000014732049 1311230126 /nfs/dbraw/zinc/23/01/26/1311230126.db2.gz PTYXEIOIRMWKRG-LJQANCHMSA-N 1 1 330.472 2.925 50 0 EFAAMO COc1ccc2c(c1)C[C@@H]([N@@H+]1CCC(=O)N(CC(C)C)CC1)CC2 ZINC000014962926 1311408824 /nfs/dbraw/zinc/40/88/24/1311408824.db2.gz NZYCLHLKBKMQLX-SFHVURJKSA-N 1 1 330.472 2.743 50 0 EFAAMO Cc1nc2cc(-c3nc(-c4c(C)ncc5c4CC[NH2+]C5)no3)ccc2[nH]1 ZINC000020907833 1314739248 /nfs/dbraw/zinc/73/92/48/1314739248.db2.gz QDFCRRPLDOSBJC-UHFFFAOYSA-N 1 1 346.394 2.937 50 0 EFAAMO Fc1cccc([C@@]2(C[NH2+]CCc3n[nH]c4c3CCCC4)CCOC2)c1 ZINC000020999070 1314755669 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CC(C)Sc1nnc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)s1 ZINC001506420532 1405760841 /nfs/dbraw/zinc/76/08/41/1405760841.db2.gz HPOUXAQSQTVMLL-GFCCVEGCSA-N 1 1 334.470 2.692 50 0 EFAAMO COCC[N@H+]1CC[C@H](C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC001506420552 1405761135 /nfs/dbraw/zinc/76/11/35/1405761135.db2.gz ISFDITLCIKWEPB-ZDUSSCGKSA-N 1 1 349.431 2.856 50 0 EFAAMO Cc1[nH+]c(N)nc(N2CCC[C@H](OCc3ccccn3)C2)c1Cl ZINC001506419464 1405761397 /nfs/dbraw/zinc/76/13/97/1405761397.db2.gz CIPTVGWPCWSMMT-ZDUSSCGKSA-N 1 1 333.823 2.601 50 0 EFAAMO Cc1cnc(C[NH+]2CCC(C(=O)N(C)Cc3ccccc3)CC2)cn1 ZINC001506423803 1405763001 /nfs/dbraw/zinc/76/30/01/1405763001.db2.gz XASICWSEZPXYRZ-UHFFFAOYSA-N 1 1 338.455 2.656 50 0 EFAAMO CCc1ccccc1NC(=O)CCC(=O)N(C)C[C@]1(C)CC[N@@H+](C)C1 ZINC001506427611 1405764662 /nfs/dbraw/zinc/76/46/62/1405764662.db2.gz RGTRAPUYLKNSOI-HXUWFJFHSA-N 1 1 345.487 2.768 50 0 EFAAMO CCc1ccccc1NC(=O)CCC(=O)N(C)C[C@@]1(C)CC[N@@H+](C)C1 ZINC001506427610 1405764883 /nfs/dbraw/zinc/76/48/83/1405764883.db2.gz RGTRAPUYLKNSOI-FQEVSTJZSA-N 1 1 345.487 2.768 50 0 EFAAMO C[N@H+]1C[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1-c1ccccc1)C2 ZINC001704316074 1417905897 /nfs/dbraw/zinc/90/58/97/1417905897.db2.gz UVJQMUQSKLYGPS-AEFFLSMTSA-N 1 1 336.435 2.756 50 0 EFAAMO C[N@H+]1CCC[C@]2(CO)CCN(Cc3cccc(F)c3Cl)C[C@@H]12 ZINC001704342582 1417912677 /nfs/dbraw/zinc/91/26/77/1417912677.db2.gz ONWJZQRIBPDYDF-NVXWUHKLSA-N 1 1 326.843 2.758 50 0 EFAAMO CCc1cc(C[N@@H+]2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)on1 ZINC001704358757 1417915416 /nfs/dbraw/zinc/91/54/16/1417915416.db2.gz SCGQKIWQZBJLPY-FOIQADDNSA-N 1 1 337.423 2.821 50 0 EFAAMO Cc1cc(Cl)ccc1OC[C@@H](O)C[N@@H+](CCO)Cc1ccccc1 ZINC000022147111 713853624 /nfs/dbraw/zinc/85/36/24/713853624.db2.gz FJZSPVYGGKOIHV-SFHVURJKSA-N 1 1 349.858 2.883 50 0 EFAAMO OCC[C@H]1C[N@H+](C2CCSCC2)CCN1CCCc1ccccc1 ZINC000022918419 715440792 /nfs/dbraw/zinc/44/07/92/715440792.db2.gz RUYXXDASSNLDAG-FQEVSTJZSA-N 1 1 348.556 2.883 50 0 EFAAMO OCC[C@H]1CN(C2CCSCC2)CC[N@@H+]1CCCc1ccccc1 ZINC000022918419 715440793 /nfs/dbraw/zinc/44/07/93/715440793.db2.gz RUYXXDASSNLDAG-FQEVSTJZSA-N 1 1 348.556 2.883 50 0 EFAAMO OCC[C@H]1CN(C2CCSCC2)CC[N@H+]1CCCc1ccccc1 ZINC000022918419 715440794 /nfs/dbraw/zinc/44/07/94/715440794.db2.gz RUYXXDASSNLDAG-FQEVSTJZSA-N 1 1 348.556 2.883 50 0 EFAAMO CCCC[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCOC2)Cc2ccccc2O1 ZINC000104345404 716133437 /nfs/dbraw/zinc/13/34/37/716133437.db2.gz YQTQFULRFZQOOT-ZWKOTPCHSA-N 1 1 346.471 2.593 50 0 EFAAMO CCCC[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCOC2)Cc2ccccc2O1 ZINC000104345404 716133439 /nfs/dbraw/zinc/13/34/39/716133439.db2.gz YQTQFULRFZQOOT-ZWKOTPCHSA-N 1 1 346.471 2.593 50 0 EFAAMO CCCC[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCOC2)Cc2ccccc2O1 ZINC000014887451 716486752 /nfs/dbraw/zinc/48/67/52/716486752.db2.gz YQTQFULRFZQOOT-MSOLQXFVSA-N 1 1 346.471 2.593 50 0 EFAAMO CCCC[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCOC2)Cc2ccccc2O1 ZINC000014887451 716486755 /nfs/dbraw/zinc/48/67/55/716486755.db2.gz YQTQFULRFZQOOT-MSOLQXFVSA-N 1 1 346.471 2.593 50 0 EFAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)OCCCO2 ZINC000888088898 717236814 /nfs/dbraw/zinc/23/68/14/717236814.db2.gz WRRHZZIOLIWAPV-SJORKVTESA-N 1 1 344.455 2.842 50 0 EFAAMO c1csc(C[NH+]2CCC(Cn3cc(-c4ccncc4)nn3)CC2)n1 ZINC000020600403 719478316 /nfs/dbraw/zinc/47/83/16/719478316.db2.gz UFZYIFVEFCYCGR-UHFFFAOYSA-N 1 1 340.456 2.709 50 0 EFAAMO CCc1[nH+]ccn1CCCNC(=O)N(C)[C@@H](C)c1c(C)n[nH]c1C ZINC000426474176 720989753 /nfs/dbraw/zinc/98/97/53/720989753.db2.gz GVLGKCRGBBBSTK-AWEZNQCLSA-N 1 1 332.452 2.578 50 0 EFAAMO CCOc1ncccc1C(=O)N1CCC[N@H+](Cc2ccsc2)CC1 ZINC000989591219 1106459304 /nfs/dbraw/zinc/45/93/04/1106459304.db2.gz MXAPABGAGXQJMI-UHFFFAOYSA-N 1 1 345.468 2.890 50 0 EFAAMO CCOc1ncccc1C(=O)N1CCC[N@@H+](Cc2ccsc2)CC1 ZINC000989591219 1106459307 /nfs/dbraw/zinc/45/93/07/1106459307.db2.gz MXAPABGAGXQJMI-UHFFFAOYSA-N 1 1 345.468 2.890 50 0 EFAAMO COc1cccc(CC(=O)N2CCC[N@H+](CCC(F)(F)F)CC2)c1 ZINC000989604077 1106474004 /nfs/dbraw/zinc/47/40/04/1106474004.db2.gz QIDRZDXEBAQQRZ-UHFFFAOYSA-N 1 1 344.377 2.724 50 0 EFAAMO COc1cccc(CC(=O)N2CCC[N@@H+](CCC(F)(F)F)CC2)c1 ZINC000989604077 1106474007 /nfs/dbraw/zinc/47/40/07/1106474007.db2.gz QIDRZDXEBAQQRZ-UHFFFAOYSA-N 1 1 344.377 2.724 50 0 EFAAMO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000004728862 210262337 /nfs/dbraw/zinc/26/23/37/210262337.db2.gz JDTMDOTZAVACMX-GFCCVEGCSA-N 1 1 329.400 2.625 50 0 EFAAMO Cc1cc2occ(CC(=O)NCC[N@H+]3CCCC[C@H]3CO)c2c(C)c1 ZINC000097732725 219052959 /nfs/dbraw/zinc/05/29/59/219052959.db2.gz GKBGNTATCKLYTJ-KRWDZBQOSA-N 1 1 344.455 2.555 50 0 EFAAMO Cc1cc(F)ccc1NC(=O)N1CC[N@H+](CC(C)C)[C@@H](CCO)C1 ZINC000097743012 219053482 /nfs/dbraw/zinc/05/34/82/219053482.db2.gz ISNIARFAFYYHRZ-INIZCTEOSA-N 1 1 337.439 2.691 50 0 EFAAMO Cc1cc(F)ccc1NC(=O)N1CC[N@H+](CC(C)C)[C@H](CCO)C1 ZINC000097743011 219053606 /nfs/dbraw/zinc/05/36/06/219053606.db2.gz ISNIARFAFYYHRZ-MRXNPFEDSA-N 1 1 337.439 2.691 50 0 EFAAMO COCC[N@H+]1CCC[C@]2(CCN(Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC000055271228 214299382 /nfs/dbraw/zinc/29/93/82/214299382.db2.gz DPTOFSOUNQXMIG-FQEVSTJZSA-N 1 1 345.487 2.579 50 0 EFAAMO COCCN1CCC[C@]2(CC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC000055271228 214299398 /nfs/dbraw/zinc/29/93/98/214299398.db2.gz DPTOFSOUNQXMIG-FQEVSTJZSA-N 1 1 345.487 2.579 50 0 EFAAMO COCCN1CCC[C@]2(CC[N@@H+](Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC000055271228 214299401 /nfs/dbraw/zinc/29/94/01/214299401.db2.gz DPTOFSOUNQXMIG-FQEVSTJZSA-N 1 1 345.487 2.579 50 0 EFAAMO c1cn(CCC[N@H+](Cc2cccnc2)Cc2ccc3nonc3c2)cn1 ZINC000055386208 214315563 /nfs/dbraw/zinc/31/55/63/214315563.db2.gz DAOPCCJGULSXCD-UHFFFAOYSA-N 1 1 348.410 2.907 50 0 EFAAMO CC(C)c1nnsc1CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000055393215 214317066 /nfs/dbraw/zinc/31/70/66/214317066.db2.gz LSAWPICOVXGXPR-CYBMUJFWSA-N 1 1 348.472 2.783 50 0 EFAAMO c1cncc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCOC2)c1 ZINC000055393649 214317838 /nfs/dbraw/zinc/31/78/38/214317838.db2.gz FWPKIZDRKFYXPZ-KRWDZBQOSA-N 1 1 326.396 2.849 50 0 EFAAMO Cc1cccc2nc(C(=O)N3CC[NH2+][C@H](c4ccccc4)C3)c(F)n21 ZINC000097813862 219058686 /nfs/dbraw/zinc/05/86/86/219058686.db2.gz YSLWFZNJMZAQKX-HNNXBMFYSA-N 1 1 338.386 2.569 50 0 EFAAMO O=C(NCCc1nccs1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000174403255 231199740 /nfs/dbraw/zinc/19/97/40/231199740.db2.gz ZGEMLDMBFNAYCW-MRXNPFEDSA-N 1 1 329.469 2.857 50 0 EFAAMO CCOc1ccc(N2C(=O)C[C@@H]([N@H+]3CCCC[C@@H]3CC)C2=O)cc1 ZINC000004648940 210236273 /nfs/dbraw/zinc/23/62/73/210236273.db2.gz DEYMRGFPFBMRFM-WMLDXEAASA-N 1 1 330.428 2.982 50 0 EFAAMO COc1ccc(Br)cc1C[N@H+](C)C1CCN(C)CC1 ZINC000003684167 210074084 /nfs/dbraw/zinc/07/40/84/210074084.db2.gz JXLLHRSYNPUQRC-UHFFFAOYSA-N 1 1 327.266 2.984 50 0 EFAAMO COc1ccc(Br)cc1C[N@@H+](C)C1CCN(C)CC1 ZINC000003684167 210074087 /nfs/dbraw/zinc/07/40/87/210074087.db2.gz JXLLHRSYNPUQRC-UHFFFAOYSA-N 1 1 327.266 2.984 50 0 EFAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](O)C3)c(C)o2)c(OC)c1C ZINC000067432189 215143818 /nfs/dbraw/zinc/14/38/18/215143818.db2.gz ICEOZCYTKBIXPZ-AWEZNQCLSA-N 1 1 346.427 2.932 50 0 EFAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](O)C3)c(C)o2)c(OC)c1C ZINC000067432189 215143821 /nfs/dbraw/zinc/14/38/21/215143821.db2.gz ICEOZCYTKBIXPZ-AWEZNQCLSA-N 1 1 346.427 2.932 50 0 EFAAMO Cc1c2cc(C)ccc2[nH]c1C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000067431822 215144125 /nfs/dbraw/zinc/14/41/25/215144125.db2.gz YJTXQBCMLMIBOY-HNNXBMFYSA-N 1 1 349.500 2.546 50 0 EFAAMO Cc1nnsc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000067489625 215152984 /nfs/dbraw/zinc/15/29/84/215152984.db2.gz FSLUIXNIEJKNMM-ZDUSSCGKSA-N 1 1 348.447 2.628 50 0 EFAAMO COc1cccc(C(=O)N(C)Cc2cc(C3=CCC[N@H+](C)C3)no2)c1 ZINC000067490284 215153468 /nfs/dbraw/zinc/15/34/68/215153468.db2.gz HVNMSSRTMDBSQH-UHFFFAOYSA-N 1 1 341.411 2.674 50 0 EFAAMO COc1cccc(C(=O)N(C)Cc2cc(C3=CCC[N@@H+](C)C3)no2)c1 ZINC000067490284 215153472 /nfs/dbraw/zinc/15/34/72/215153472.db2.gz HVNMSSRTMDBSQH-UHFFFAOYSA-N 1 1 341.411 2.674 50 0 EFAAMO Cc1cc(C)c2[nH]c(=O)c(CN3CC[C@@]4(C3)CCC[NH2+]C4)cc2c1 ZINC000067490903 215155073 /nfs/dbraw/zinc/15/50/73/215155073.db2.gz PKLUVFXBAIEZPC-FQEVSTJZSA-N 1 1 325.456 2.720 50 0 EFAAMO C[C@H]1CCC[N@@H+](CCCOc2ccc(CNN3CCOCC3)cc2)C1 ZINC000067601787 215165797 /nfs/dbraw/zinc/16/57/97/215165797.db2.gz XHADEFFEQIDTHY-SFHVURJKSA-N 1 1 347.503 2.524 50 0 EFAAMO CC(C)[N@@H+]1CCCn2nc(C(=O)N[C@H](C)c3ccccc3)cc2C1 ZINC000067605862 215169237 /nfs/dbraw/zinc/16/92/37/215169237.db2.gz WBEOAMZOQYGJSV-OAHLLOKOSA-N 1 1 326.444 2.988 50 0 EFAAMO CC(C)[N@H+]1CCCn2nc(C(=O)N[C@H](C)c3ccccc3)cc2C1 ZINC000067605862 215169240 /nfs/dbraw/zinc/16/92/40/215169240.db2.gz WBEOAMZOQYGJSV-OAHLLOKOSA-N 1 1 326.444 2.988 50 0 EFAAMO Cc1nc(-c2cccc(C(=O)NCC[C@H]3CCC[N@H+](C)C3)c2)no1 ZINC000067605475 215167620 /nfs/dbraw/zinc/16/76/20/215167620.db2.gz XVLFKAGDDZXBFI-CQSZACIVSA-N 1 1 328.416 2.507 50 0 EFAAMO O=C(NCc1ccccc1)NC[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000067688785 215184483 /nfs/dbraw/zinc/18/44/83/215184483.db2.gz GSRNLNRPRUKITB-SFHVURJKSA-N 1 1 338.455 2.793 50 0 EFAAMO CC[N@@H+](Cc1cnn(C)c1)Cc1cc2ccc(Cl)cc2[nH]c1=O ZINC000067712922 215191685 /nfs/dbraw/zinc/19/16/85/215191685.db2.gz CMRPRFVXVGVGEM-UHFFFAOYSA-N 1 1 330.819 2.937 50 0 EFAAMO O=C(NCC[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1O ZINC000067692109 215187385 /nfs/dbraw/zinc/18/73/85/215187385.db2.gz OIIQSPASHJNYBU-MRXNPFEDSA-N 1 1 339.439 2.819 50 0 EFAAMO CN(C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCOCc1ccccc1)C2 ZINC000067692730 215187727 /nfs/dbraw/zinc/18/77/27/215187727.db2.gz XTEPDQMOZLKQPC-HXUWFJFHSA-N 1 1 345.487 2.673 50 0 EFAAMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)C3([NH3+])CCCC3)C2)cc1C ZINC000067726103 215196422 /nfs/dbraw/zinc/19/64/22/215196422.db2.gz DCZSVLPEUVSDEA-GOSISDBHSA-N 1 1 329.488 2.513 50 0 EFAAMO Cc1cc(C[N@H+]2CCC[C@H](CNC(=O)C3CCOCC3)C2)ccc1F ZINC000067740757 215199122 /nfs/dbraw/zinc/19/91/22/215199122.db2.gz YARHGCLMCPYFSF-QGZVFWFLSA-N 1 1 348.462 2.889 50 0 EFAAMO COc1ccccc1-c1ncc(C[N@H+]2CCC(=O)NC[C@H]2C)s1 ZINC000067741606 215200956 /nfs/dbraw/zinc/20/09/56/215200956.db2.gz ZKRAWDKSXSIOTI-GFCCVEGCSA-N 1 1 331.441 2.529 50 0 EFAAMO COc1cc(-c2ccc(C)s2)cc2c1OCC[N@@H+](CCC(N)=O)C2 ZINC000067769604 215207927 /nfs/dbraw/zinc/20/79/27/215207927.db2.gz PFRXHVHOFCLVLN-UHFFFAOYSA-N 1 1 346.452 2.802 50 0 EFAAMO Cc1ccc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)o1 ZINC000067773234 215209643 /nfs/dbraw/zinc/20/96/43/215209643.db2.gz LCDUZLGFSALBIG-MRXNPFEDSA-N 1 1 345.487 2.543 50 0 EFAAMO CCC[NH+]1CCC(CC(=O)N(C)Cc2n[nH]c3c2CCCC3)CC1 ZINC000067784466 215210626 /nfs/dbraw/zinc/21/06/26/215210626.db2.gz ZLCYPZAISDJYJI-UHFFFAOYSA-N 1 1 332.492 2.759 50 0 EFAAMO CC[N@@H+](Cc1cc(=O)n2c3c(cccc13)CCC2)C[C@H]1CCN(C)C1 ZINC000067788550 215213877 /nfs/dbraw/zinc/21/38/77/215213877.db2.gz AYBPXKIKPMHREL-INIZCTEOSA-N 1 1 339.483 2.721 50 0 EFAAMO CC[N@H+](Cc1cc(=O)n2c3c(cccc13)CCC2)C[C@H]1CCN(C)C1 ZINC000067788550 215213880 /nfs/dbraw/zinc/21/38/80/215213880.db2.gz AYBPXKIKPMHREL-INIZCTEOSA-N 1 1 339.483 2.721 50 0 EFAAMO CN(Cc1nc(-c2ccncc2)no1)C1CCC2(CC[NH2+]CC2)CC1 ZINC000067803162 215214493 /nfs/dbraw/zinc/21/44/93/215214493.db2.gz AHCONXBOEYNNQA-UHFFFAOYSA-N 1 1 341.459 2.876 50 0 EFAAMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(-c3cccs3)nn2C)C1 ZINC000067817542 215220526 /nfs/dbraw/zinc/22/05/26/215220526.db2.gz ICMKRBHNFBDOOK-CYBMUJFWSA-N 1 1 332.473 2.610 50 0 EFAAMO CC(=O)Nc1cccc(C(=O)NCC[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000067805206 215217686 /nfs/dbraw/zinc/21/76/86/215217686.db2.gz WZUWTJHPDAWUCV-INIZCTEOSA-N 1 1 331.460 2.885 50 0 EFAAMO COc1nc2ccccc2cc1C[N@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000067805981 215218165 /nfs/dbraw/zinc/21/81/65/215218165.db2.gz ZSMBYRGLIAMKSG-OAHLLOKOSA-N 1 1 327.428 2.592 50 0 EFAAMO Cc1ccc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1C ZINC000067805750 215218549 /nfs/dbraw/zinc/21/85/49/215218549.db2.gz ZHJODLVJUJJZOG-QGZVFWFLSA-N 1 1 336.501 2.597 50 0 EFAAMO Cn1ccnc1-c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000067842569 215227030 /nfs/dbraw/zinc/22/70/30/215227030.db2.gz KQFSKFNIWAHPLR-INIZCTEOSA-N 1 1 334.427 2.564 50 0 EFAAMO Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)c1 ZINC000067843317 215228050 /nfs/dbraw/zinc/22/80/50/215228050.db2.gz PLVRFKPQHPZJOC-GOSISDBHSA-N 1 1 338.455 2.843 50 0 EFAAMO CCCc1ccc(C[N@@H+]2CCC[C@@H](c3nn(C)c(=O)n3CC)C2)o1 ZINC000067847001 215228139 /nfs/dbraw/zinc/22/81/39/215228139.db2.gz SLGPZWPKKLJXHT-CQSZACIVSA-N 1 1 332.448 2.527 50 0 EFAAMO CCCc1ccc(C[N@H+]2CCC[C@@H](c3nn(C)c(=O)n3CC)C2)o1 ZINC000067847001 215228144 /nfs/dbraw/zinc/22/81/44/215228144.db2.gz SLGPZWPKKLJXHT-CQSZACIVSA-N 1 1 332.448 2.527 50 0 EFAAMO Cc1ccccc1[C@@]1(O)CC[N@@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000067847157 215228962 /nfs/dbraw/zinc/22/89/62/215228962.db2.gz YSOFLCHHZVMLQR-OAQYLSRUSA-N 1 1 346.434 2.941 50 0 EFAAMO Cc1cnccc1C(=O)NC[C@H]1CC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000067847713 215230185 /nfs/dbraw/zinc/23/01/85/215230185.db2.gz GCBWVNTWHFUFGI-OAHLLOKOSA-N 1 1 349.438 2.518 50 0 EFAAMO Cc1cnccc1C(=O)NC[C@H]1CC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000067847713 215230188 /nfs/dbraw/zinc/23/01/88/215230188.db2.gz GCBWVNTWHFUFGI-OAHLLOKOSA-N 1 1 349.438 2.518 50 0 EFAAMO CCCCc1nc(Cl)c(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)[nH]1 ZINC000067856136 215232548 /nfs/dbraw/zinc/23/25/48/215232548.db2.gz BBBSYIKRWNPSOE-QGZVFWFLSA-N 1 1 338.883 2.850 50 0 EFAAMO CC(C)(C(=O)NC[C@H]1CC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000067856782 215233219 /nfs/dbraw/zinc/23/32/19/215233219.db2.gz HHNFLJFLSJEVMA-GOSISDBHSA-N 1 1 337.467 2.998 50 0 EFAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3cnco3)C2)c(C)c1F ZINC000067868847 215236201 /nfs/dbraw/zinc/23/62/01/215236201.db2.gz XSLAIMWNCJESRT-AWEZNQCLSA-N 1 1 331.391 2.682 50 0 EFAAMO CCCC(=O)N1CCC([NH2+]Cc2nc(C3CCCCC3)no2)CC1 ZINC000067869162 215236538 /nfs/dbraw/zinc/23/65/38/215236538.db2.gz PKHYVAUUQPZCAG-UHFFFAOYSA-N 1 1 334.464 2.998 50 0 EFAAMO CCS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000067878693 215237513 /nfs/dbraw/zinc/23/75/13/215237513.db2.gz FUWSPQRSVMNQLD-MRXNPFEDSA-N 1 1 346.496 2.991 50 0 EFAAMO Cc1ccc(-c2[nH]c(CNC(=O)C[NH+](C)C)nc2-c2ccccn2)cc1 ZINC000067880956 215238612 /nfs/dbraw/zinc/23/86/12/215238612.db2.gz XRXYNLSXUUHGEV-UHFFFAOYSA-N 1 1 349.438 2.625 50 0 EFAAMO COc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000067894780 215244356 /nfs/dbraw/zinc/24/43/56/215244356.db2.gz NXZRSUYUQOUMIL-KRWDZBQOSA-N 1 1 339.439 2.732 50 0 EFAAMO CC(C)c1ccc(C[N@H+]2CC[C@H](CNS(=O)(=O)C3CC3)C2)cc1 ZINC000067881639 215240711 /nfs/dbraw/zinc/24/07/11/215240711.db2.gz UBTPJUUOWPOCCR-MRXNPFEDSA-N 1 1 336.501 2.714 50 0 EFAAMO Cc1cc(C[N@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)ccc1O ZINC000067909155 215248187 /nfs/dbraw/zinc/24/81/87/215248187.db2.gz ZQKBIAGUXZSSIM-FUHWJXTLSA-N 1 1 341.407 2.780 50 0 EFAAMO Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)c3ccc(F)cc3F)C2)on1 ZINC000067908897 215248509 /nfs/dbraw/zinc/24/85/09/215248509.db2.gz GFMAECOMYWZUGQ-LBPRGKRZSA-N 1 1 335.354 2.513 50 0 EFAAMO COc1ccc(-c2nc(C[NH+]3CCC(O)CC3)c(C)o2)c(OC)c1C ZINC000067909876 215248785 /nfs/dbraw/zinc/24/87/85/215248785.db2.gz ISMBCFIXIDLXQZ-UHFFFAOYSA-N 1 1 346.427 2.932 50 0 EFAAMO Cc1ccc(-n2cccn2)c(C[N@H+]2CC[C@H](CNC(=O)C3CC3)C2)c1 ZINC000067920304 215250146 /nfs/dbraw/zinc/25/01/46/215250146.db2.gz OVSWFPHBZQAXNL-MRXNPFEDSA-N 1 1 338.455 2.529 50 0 EFAAMO Cc1ccsc1C(=O)NCC[C@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000067921804 215251813 /nfs/dbraw/zinc/25/18/13/215251813.db2.gz PDANHOWUPWQLEJ-MRXNPFEDSA-N 1 1 349.544 2.983 50 0 EFAAMO Cc1cccnc1C[N@@H+](C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000067946154 215254142 /nfs/dbraw/zinc/25/41/42/215254142.db2.gz SIXZYYHXOOSRNH-UHFFFAOYSA-N 1 1 337.379 2.592 50 0 EFAAMO CCCc1nc(N2CCC(O)(c3ccc(C)cn3)CC2)cc(C)[nH+]1 ZINC000067935282 215254299 /nfs/dbraw/zinc/25/42/99/215254299.db2.gz XLVLROWJVXEJPB-UHFFFAOYSA-N 1 1 326.444 2.929 50 0 EFAAMO Nc1cc[nH+]c(N2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)n1 ZINC000067935144 215254774 /nfs/dbraw/zinc/25/47/74/215254774.db2.gz XZUHMJMFNPPUFC-ZDUSSCGKSA-N 1 1 338.390 2.972 50 0 EFAAMO Cc1cccc(C(=O)NCC[C@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000067966920 215262480 /nfs/dbraw/zinc/26/24/80/215262480.db2.gz MLJIRMXWNLJUBS-QGZVFWFLSA-N 1 1 338.455 2.817 50 0 EFAAMO Cc1nc(CN(C)Cc2ccc(O[C@@]34CC[N@@H+](C3)CCC4)cc2)no1 ZINC000067966092 215262650 /nfs/dbraw/zinc/26/26/50/215262650.db2.gz DFUKQQOXIXFHCN-IBGZPJMESA-N 1 1 342.443 2.627 50 0 EFAAMO COCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1c(C)cccc1C)C2 ZINC000067966174 215262662 /nfs/dbraw/zinc/26/26/62/215262662.db2.gz GYXXBRHYTPNMJA-FQEVSTJZSA-N 1 1 330.472 2.764 50 0 EFAAMO O[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067947617 215256741 /nfs/dbraw/zinc/25/67/41/215256741.db2.gz HNDSWVRTMIBZOB-LSDHHAIUSA-N 1 1 346.814 2.814 50 0 EFAAMO O[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067947617 215256743 /nfs/dbraw/zinc/25/67/43/215256743.db2.gz HNDSWVRTMIBZOB-LSDHHAIUSA-N 1 1 346.814 2.814 50 0 EFAAMO Cc1cccc(C(=O)NCC[C@@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000067966918 215261495 /nfs/dbraw/zinc/26/14/95/215261495.db2.gz MLJIRMXWNLJUBS-KRWDZBQOSA-N 1 1 338.455 2.817 50 0 EFAAMO C=Cc1cccc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C(C)C)C2)c1 ZINC000067981791 215265687 /nfs/dbraw/zinc/26/56/87/215265687.db2.gz GPBOZZQTPZSSLV-GOSISDBHSA-N 1 1 336.501 2.869 50 0 EFAAMO C[NH+](Cc1ccc(O[C@@]23CC[N@H+](C2)CCC3)cc1)CC1(C)COC1 ZINC000067982088 215266833 /nfs/dbraw/zinc/26/68/33/215266833.db2.gz AIHFIOPMEHVLRW-FQEVSTJZSA-N 1 1 330.472 2.772 50 0 EFAAMO C[NH+](Cc1ccc(O[C@@]23CC[N@@H+](C2)CCC3)cc1)CC1(C)COC1 ZINC000067982088 215266835 /nfs/dbraw/zinc/26/68/35/215266835.db2.gz AIHFIOPMEHVLRW-FQEVSTJZSA-N 1 1 330.472 2.772 50 0 EFAAMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(=O)[nH]c3ccccc32)C1 ZINC000067982129 215267432 /nfs/dbraw/zinc/26/74/32/215267432.db2.gz UJNBFZJPDIWMMF-HNNXBMFYSA-N 1 1 341.455 2.626 50 0 EFAAMO CCn1c(=O)n(C)nc1[C@@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000067974638 215264226 /nfs/dbraw/zinc/26/42/26/215264226.db2.gz AEUTVOIGTWBCFV-OAHLLOKOSA-N 1 1 340.427 2.728 50 0 EFAAMO CC(C)[N@H+]1CCN(Cc2ccccc2C(F)(F)F)C[C@H]1CCO ZINC000104339839 219377045 /nfs/dbraw/zinc/37/70/45/219377045.db2.gz QMTJTRVMOUJAOT-OAHLLOKOSA-N 1 1 330.394 2.982 50 0 EFAAMO CC(C)C[N@H+]1CCN(Cc2ccc3cccc(F)c3n2)C[C@H]1CCO ZINC000104394558 219383948 /nfs/dbraw/zinc/38/39/48/219383948.db2.gz MQBQMPBOJNOUNV-GOSISDBHSA-N 1 1 345.462 2.899 50 0 EFAAMO Cc1ccccc1C[N@@H+]1CCN(Cc2nccs2)C[C@H]1CCO ZINC000104471956 219388652 /nfs/dbraw/zinc/38/86/52/219388652.db2.gz IKHFDNOPIYYDMS-QGZVFWFLSA-N 1 1 331.485 2.520 50 0 EFAAMO Cc1ccccc1C[N@H+]1CCN(Cc2nccs2)C[C@H]1CCO ZINC000104471956 219388654 /nfs/dbraw/zinc/38/86/54/219388654.db2.gz IKHFDNOPIYYDMS-QGZVFWFLSA-N 1 1 331.485 2.520 50 0 EFAAMO CC(=O)c1cccc(CN2CC[N@H+](CCC(C)C)[C@H](CCO)C2)c1 ZINC000104526240 219393553 /nfs/dbraw/zinc/39/35/53/219393553.db2.gz IBWQLOBZOAWKNQ-HXUWFJFHSA-N 1 1 332.488 2.804 50 0 EFAAMO Cc1cccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)n1 ZINC000039444986 213236642 /nfs/dbraw/zinc/23/66/42/213236642.db2.gz MDBMMJCNBCWKFV-HXUWFJFHSA-N 1 1 343.446 2.598 50 0 EFAAMO Cc1cccc(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)n1 ZINC000039444986 213236644 /nfs/dbraw/zinc/23/66/44/213236644.db2.gz MDBMMJCNBCWKFV-HXUWFJFHSA-N 1 1 343.446 2.598 50 0 EFAAMO COc1ccc(CN2CC[N@@H+](CC(C)(C)C)[C@H](CCO)C2)cc1C ZINC000039380761 213236515 /nfs/dbraw/zinc/23/65/15/213236515.db2.gz OCQTUHHROLVADW-GOSISDBHSA-N 1 1 334.504 2.918 50 0 EFAAMO Cc1nc(NCCNC(=O)Nc2ccccc2Cl)cc(N(C)C)[nH+]1 ZINC000036708086 213110754 /nfs/dbraw/zinc/11/07/54/213110754.db2.gz XXSQSGLGKSVXKS-UHFFFAOYSA-N 1 1 348.838 2.738 50 0 EFAAMO C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccc(F)cc1)c1cccs1 ZINC000036079568 213060163 /nfs/dbraw/zinc/06/01/63/213060163.db2.gz QZEGGTNMUBJXKR-CQSZACIVSA-N 1 1 342.461 2.610 50 0 EFAAMO O=S(=O)(c1ccc(F)c(F)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000035800907 213048741 /nfs/dbraw/zinc/04/87/41/213048741.db2.gz KYKVUWKIOHWLCU-UHFFFAOYSA-N 1 1 344.427 2.604 50 0 EFAAMO CC(C)[C@@H]1CN(C(=O)c2ncc(F)cc2F)CCC[N@H+]1CC1CC1 ZINC000071750974 215808079 /nfs/dbraw/zinc/80/80/79/215808079.db2.gz NQIYUCWMBXDNLP-INIZCTEOSA-N 1 1 337.414 2.942 50 0 EFAAMO CCOc1ccc(C[N@H+]2CCC[C@](O)(CO)CC2)c(OCC)c1C ZINC000072121809 216015374 /nfs/dbraw/zinc/01/53/74/216015374.db2.gz FXOALILHGXHFDG-LJQANCHMSA-N 1 1 337.460 2.502 50 0 EFAAMO Fc1ccc(CC[C@H]2CCC[N@@H+](CCCn3cnnn3)C2)c(F)c1 ZINC000072135188 216023499 /nfs/dbraw/zinc/02/34/99/216023499.db2.gz QUPMSQNNZDAHIU-CQSZACIVSA-N 1 1 335.402 2.686 50 0 EFAAMO O=C(NCc1cccc(F)c1)N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000072143258 216029045 /nfs/dbraw/zinc/02/90/45/216029045.db2.gz SMFFVUZQJXDRJH-GOSISDBHSA-N 1 1 349.450 2.612 50 0 EFAAMO CCOC(=O)C[NH+]1CCC2(CCN(C(=O)C(CC)CC)CC2)CC1 ZINC000072145103 216031040 /nfs/dbraw/zinc/03/10/40/216031040.db2.gz ZLBVVSFWHZWJIL-UHFFFAOYSA-N 1 1 338.492 2.690 50 0 EFAAMO OC1(c2cccc(C(F)(F)F)c2)CC[NH+](Cc2c[nH]cn2)CC1 ZINC000072151785 216038970 /nfs/dbraw/zinc/03/89/70/216038970.db2.gz KARJNXZDHFEVLA-UHFFFAOYSA-N 1 1 325.334 2.912 50 0 EFAAMO CC(C)(C)C[N@H+]1CC[C@H](C2CCN(c3ncnc4nc[nH]c43)CC2)C1 ZINC000072161794 216050475 /nfs/dbraw/zinc/05/04/75/216050475.db2.gz GMTBCLOYQMNXJN-HNNXBMFYSA-N 1 1 342.491 2.937 50 0 EFAAMO CC(C)(C)C[N@@H+]1CC[C@H](C2CCN(c3ncnc4[nH]cnc43)CC2)C1 ZINC000072161794 216050476 /nfs/dbraw/zinc/05/04/76/216050476.db2.gz GMTBCLOYQMNXJN-HNNXBMFYSA-N 1 1 342.491 2.937 50 0 EFAAMO CC(C)(C)C[N@H+]1CC[C@H](C2CCN(c3ncnc4[nH]cnc43)CC2)C1 ZINC000072161794 216050479 /nfs/dbraw/zinc/05/04/79/216050479.db2.gz GMTBCLOYQMNXJN-HNNXBMFYSA-N 1 1 342.491 2.937 50 0 EFAAMO Cc1oc(-c2cccs2)nc1CN1CCC[C@](O)(C[NH+](C)C)CC1 ZINC000072157249 216047262 /nfs/dbraw/zinc/04/72/62/216047262.db2.gz JWYJBNIJBZZPJC-GOSISDBHSA-N 1 1 349.500 2.990 50 0 EFAAMO COC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@H](COc2ccc(C)cc2)C1 ZINC000072156921 216047277 /nfs/dbraw/zinc/04/72/77/216047277.db2.gz BLERULOICTYOIF-HNNXBMFYSA-N 1 1 343.427 2.796 50 0 EFAAMO COC(=O)c1n[nH]cc1C[N@H+]1CCC[C@H](COc2ccc(C)cc2)C1 ZINC000072156921 216047278 /nfs/dbraw/zinc/04/72/78/216047278.db2.gz BLERULOICTYOIF-HNNXBMFYSA-N 1 1 343.427 2.796 50 0 EFAAMO CC(C)[N@H+]1CCN(c2nc(C3CCCC3)nc3c2cnn3C)C[C@H]1C ZINC000072163226 216051828 /nfs/dbraw/zinc/05/18/28/216051828.db2.gz OESGCPOAABLZLA-CQSZACIVSA-N 1 1 342.491 2.940 50 0 EFAAMO CCCOc1ccc(OCC[N@H+]2CCC[C@@]3(CN(C)C(=O)O3)C2)cc1 ZINC000072168758 216059441 /nfs/dbraw/zinc/05/94/41/216059441.db2.gz VZXHOYLSQOXDEN-LJQANCHMSA-N 1 1 348.443 2.771 50 0 EFAAMO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000072270587 216092570 /nfs/dbraw/zinc/09/25/70/216092570.db2.gz SVPGPJOHIBFJTK-IRXDYDNUSA-N 1 1 329.444 2.646 50 0 EFAAMO Cc1nc2c(c(N[C@H](C)C3CC3)n1)CC[N@@H+](Cc1ccncc1)CC2 ZINC000072420057 216208807 /nfs/dbraw/zinc/20/88/07/216208807.db2.gz SAUPEDIUVFBKLK-CQSZACIVSA-N 1 1 337.471 2.991 50 0 EFAAMO CCCc1cnc(C)nc1N1CC[N@H+](C2CCCCC2)[C@H](CCO)C1 ZINC000072428456 216219298 /nfs/dbraw/zinc/21/92/98/216219298.db2.gz TUTQGAGFZZTQTQ-LJQANCHMSA-N 1 1 346.519 2.943 50 0 EFAAMO C[NH+](C)C[C@]1(O)CCCN(Cc2c(Cl)ccc(O)c2Cl)C1 ZINC000072429681 216222164 /nfs/dbraw/zinc/22/21/64/216222164.db2.gz LSVMXHRYSZCQSM-OAHLLOKOSA-N 1 1 333.259 2.588 50 0 EFAAMO O=C(/C=C/c1ccc(F)cc1)N1CC[NH+](CCc2ccccn2)CC1 ZINC000072427760 216218738 /nfs/dbraw/zinc/21/87/38/216218738.db2.gz AQNCITWDVJALAI-RMKNXTFCSA-N 1 1 339.414 2.621 50 0 EFAAMO Cc1nc2c(c(NCCc3nccs3)n1)CC[N@@H+](CC1CC1)CC2 ZINC000072433631 216228036 /nfs/dbraw/zinc/22/80/36/216228036.db2.gz XTPOOWVSRZXEKG-UHFFFAOYSA-N 1 1 343.500 2.707 50 0 EFAAMO Cc1cc2nc(C(C)C)cc(NCC[C@H](C)N3CC[NH+](C)CC3)n2n1 ZINC000072431253 216223991 /nfs/dbraw/zinc/22/39/91/216223991.db2.gz YHQPEMOITRWBBI-INIZCTEOSA-N 1 1 344.507 2.599 50 0 EFAAMO CCOc1ccc2nc(C[N@H+]3CC[C@]4(CN(C)C(=O)O4)C3)ccc2c1 ZINC000072432288 216225785 /nfs/dbraw/zinc/22/57/85/216225785.db2.gz WGTBEOUJKZWLQS-IBGZPJMESA-N 1 1 341.411 2.660 50 0 EFAAMO C[N@H+]1CCC2(C1)CCN(C(=O)c1cccc(CCC(C)(C)O)c1)CC2 ZINC000072433193 216226620 /nfs/dbraw/zinc/22/66/20/216226620.db2.gz KQYVYSIAAVGGKD-UHFFFAOYSA-N 1 1 344.499 2.948 50 0 EFAAMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(CCC(C)(C)O)cc3)C2)C1 ZINC000072447699 216237180 /nfs/dbraw/zinc/23/71/80/216237180.db2.gz XSHSYZXOUOGLQP-HXUWFJFHSA-N 1 1 330.472 2.558 50 0 EFAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc(CCC(C)(C)O)c1)C2 ZINC000072447398 216237759 /nfs/dbraw/zinc/23/77/59/216237759.db2.gz SUUFDEAHISMOER-ZWKOTPCHSA-N 1 1 330.472 2.699 50 0 EFAAMO CN(C[C@]1(C)CC[N@@H+](C)C1)C(=O)c1ccc(CCC(C)(C)O)cc1 ZINC000072448137 216238022 /nfs/dbraw/zinc/23/80/22/216238022.db2.gz DDJRMUGZIPQICQ-HXUWFJFHSA-N 1 1 332.488 2.804 50 0 EFAAMO CC(C)=CC[N@@H+]1CCN(c2cc(C(C)C)nc(C)n2)C[C@H]1CCO ZINC000072472985 216250748 /nfs/dbraw/zinc/25/07/48/216250748.db2.gz VAQYRUDGUQPPFG-QGZVFWFLSA-N 1 1 332.492 2.748 50 0 EFAAMO Cc1n[nH]c(CCC(=O)N2CCC[N@@H+](Cc3cccs3)CC2)c1C ZINC000072474184 216251187 /nfs/dbraw/zinc/25/11/87/216251187.db2.gz XYHBZORYKHPBIM-UHFFFAOYSA-N 1 1 346.500 2.755 50 0 EFAAMO Cc1cccc(C[NH+]2CCN(C(=O)[C@H](C)n3cc(Cl)cn3)CC2)c1 ZINC000072476745 216253816 /nfs/dbraw/zinc/25/38/16/216253816.db2.gz XZPGXQUFDVGSQS-HNNXBMFYSA-N 1 1 346.862 2.750 50 0 EFAAMO Cc1nc(CC(=O)N2CCC[N@@H+](Cc3cccs3)CC2)cs1 ZINC000072481023 216261602 /nfs/dbraw/zinc/26/16/02/216261602.db2.gz OGOPEOPIXJFMKT-UHFFFAOYSA-N 1 1 335.498 2.790 50 0 EFAAMO O=C(c1cccc2cnccc21)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000073092731 216349082 /nfs/dbraw/zinc/34/90/82/216349082.db2.gz MTTDEWMEDNGZPH-KRWDZBQOSA-N 1 1 339.439 2.562 50 0 EFAAMO Cc1cccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)n1 ZINC000022914692 212334195 /nfs/dbraw/zinc/33/41/95/212334195.db2.gz MDBMMJCNBCWKFV-FQEVSTJZSA-N 1 1 343.446 2.598 50 0 EFAAMO Cc1cccc(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)n1 ZINC000022914692 212334198 /nfs/dbraw/zinc/33/41/98/212334198.db2.gz MDBMMJCNBCWKFV-FQEVSTJZSA-N 1 1 343.446 2.598 50 0 EFAAMO OCC[C@@H]1CN(Cc2ccc(O)cc2)CC[N@@H+]1Cc1ccsc1 ZINC000022919074 212334037 /nfs/dbraw/zinc/33/40/37/212334037.db2.gz FIGVHFPHEIQLJF-QGZVFWFLSA-N 1 1 332.469 2.523 50 0 EFAAMO OCC[C@@H]1CN(Cc2ccc(O)cc2)CC[N@H+]1Cc1ccsc1 ZINC000022919074 212334042 /nfs/dbraw/zinc/33/40/42/212334042.db2.gz FIGVHFPHEIQLJF-QGZVFWFLSA-N 1 1 332.469 2.523 50 0 EFAAMO OCC[C@@H]1C[N@H+](Cc2ccc(O)cc2)CCN1Cc1ccsc1 ZINC000022919074 212334045 /nfs/dbraw/zinc/33/40/45/212334045.db2.gz FIGVHFPHEIQLJF-QGZVFWFLSA-N 1 1 332.469 2.523 50 0 EFAAMO OCC[C@@H]1C[N@@H+](Cc2ccc(O)cc2)CCN1Cc1ccsc1 ZINC000022919074 212334047 /nfs/dbraw/zinc/33/40/47/212334047.db2.gz FIGVHFPHEIQLJF-QGZVFWFLSA-N 1 1 332.469 2.523 50 0 EFAAMO COc1ccccc1[C@@H](CNC(=O)COc1cccc(C)c1)[NH+](C)C ZINC000022679065 212315744 /nfs/dbraw/zinc/31/57/44/212315744.db2.gz BMZLOXNIAUZMPQ-GOSISDBHSA-N 1 1 342.439 2.802 50 0 EFAAMO CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000022462470 212299980 /nfs/dbraw/zinc/29/99/80/212299980.db2.gz 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FCAJGQGOENNBHU-UHFFFAOYSA-N 1 1 337.423 2.603 50 0 EFAAMO c1ccc2c(c1)CC([N@@H+]1CCC[C@@H](NCc3ccc4nonc4c3)C1)C2 ZINC000020777794 212169469 /nfs/dbraw/zinc/16/94/69/212169469.db2.gz DXIFJDGLWVZRBJ-GOSISDBHSA-N 1 1 348.450 2.944 50 0 EFAAMO c1ccc2c(c1)CC([N@H+]1CCC[C@@H](NCc3ccc4nonc4c3)C1)C2 ZINC000020777794 212169473 /nfs/dbraw/zinc/16/94/73/212169473.db2.gz DXIFJDGLWVZRBJ-GOSISDBHSA-N 1 1 348.450 2.944 50 0 EFAAMO COc1cccc(C[N@@H+]2CCN(Cc3ccc(C)o3)C[C@@H]2CCO)c1 ZINC000020773968 212169150 /nfs/dbraw/zinc/16/91/50/212169150.db2.gz APRXUFDYZRDPNV-SFHVURJKSA-N 1 1 344.455 2.665 50 0 EFAAMO COc1cccc(C[N@H+]2CCN(Cc3ccc(C)o3)C[C@@H]2CCO)c1 ZINC000020773968 212169154 /nfs/dbraw/zinc/16/91/54/212169154.db2.gz APRXUFDYZRDPNV-SFHVURJKSA-N 1 1 344.455 2.665 50 0 EFAAMO COc1cccc(CN2CC[N@H+](Cc3ccc(C)o3)C[C@@H]2CCO)c1 ZINC000020773968 212169158 /nfs/dbraw/zinc/16/91/58/212169158.db2.gz APRXUFDYZRDPNV-SFHVURJKSA-N 1 1 344.455 2.665 50 0 EFAAMO COc1cccc(CN2CC[N@@H+](Cc3ccc(C)o3)C[C@@H]2CCO)c1 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HRCLNHPUSFIKOU-OAHLLOKOSA-N 1 1 344.434 2.814 50 0 EFAAMO CCc1[nH]nc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1C ZINC000011663665 211230110 /nfs/dbraw/zinc/23/01/10/211230110.db2.gz HRCLNHPUSFIKOU-OAHLLOKOSA-N 1 1 344.434 2.814 50 0 EFAAMO CN1CCC([N@@H+]2CCC[C@H](NC(=O)c3ccccc3Cl)C2)CC1 ZINC000011661394 211230265 /nfs/dbraw/zinc/23/02/65/211230265.db2.gz AFJWELJCVSMKQZ-AWEZNQCLSA-N 1 1 335.879 2.628 50 0 EFAAMO CN(C(=O)c1csc2nc(-c3ccccc3)cn12)[C@H]1CC[N@@H+](C)C1 ZINC000011663368 211229498 /nfs/dbraw/zinc/22/94/98/211229498.db2.gz PDNBVNXLFBWCCE-AWEZNQCLSA-N 1 1 340.452 2.839 50 0 EFAAMO NC(=O)c1ccc2[nH]c(C[N@H+]3CCC[C@@H]3c3ccco3)cc(=O)c2c1 ZINC000091770785 218063500 /nfs/dbraw/zinc/06/35/00/218063500.db2.gz GZXHFYBCNLLDFY-MRXNPFEDSA-N 1 1 337.379 2.557 50 0 EFAAMO C[C@]1(c2ccccc2)CCCN(C(=O)CCC[NH+]2CCOCC2)C1 ZINC000091849351 218077281 /nfs/dbraw/zinc/07/72/81/218077281.db2.gz RONKPWSDOKVWIW-FQEVSTJZSA-N 1 1 330.472 2.679 50 0 EFAAMO Cc1cc(CC(=O)N2CCCC[C@@H]2CC[NH+]2CCOCC2)ccc1F 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EFAAMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1ccccc1F ZINC000010544242 211180001 /nfs/dbraw/zinc/18/00/01/211180001.db2.gz OCHKTOHTMQOYEX-MRXNPFEDSA-N 1 1 342.480 2.900 50 0 EFAAMO CC(=O)Nc1nc(-c2cccs2)c(CN2CC[NH+](C)CC2)s1 ZINC000094986166 218271526 /nfs/dbraw/zinc/27/15/26/218271526.db2.gz AYRXBDQUNFAUTD-UHFFFAOYSA-N 1 1 336.486 2.577 50 0 EFAAMO COc1cc(N2CCC[C@H](c3[nH+]ccn3CC3CCC3)C2)ncn1 ZINC000095354955 218287944 /nfs/dbraw/zinc/28/79/44/218287944.db2.gz BMHFSIXYNJXXJQ-HNNXBMFYSA-N 1 1 327.432 2.866 50 0 EFAAMO COc1cc(N2CCC[C@@H](c3[nH+]ccn3CC3CCC3)C2)ncn1 ZINC000095354956 218288175 /nfs/dbraw/zinc/28/81/75/218288175.db2.gz BMHFSIXYNJXXJQ-OAHLLOKOSA-N 1 1 327.432 2.866 50 0 EFAAMO O=C(NCCCc1ccccn1)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095353747 218286905 /nfs/dbraw/zinc/28/69/05/218286905.db2.gz MODJTDFIAHMBQR-INIZCTEOSA-N 1 1 327.428 2.636 50 0 EFAAMO CCCCn1ccnc1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000095353371 218286915 /nfs/dbraw/zinc/28/69/15/218286915.db2.gz HSBAEJDHAXMRTI-INIZCTEOSA-N 1 1 329.448 2.594 50 0 EFAAMO CCCCc1nc(C)cc(NCCNC(=O)[C@H]2CCCCC[N@H+]2C)n1 ZINC000095356031 218289862 /nfs/dbraw/zinc/28/98/62/218289862.db2.gz FZGCSAWPUZXFTM-MRXNPFEDSA-N 1 1 347.507 2.530 50 0 EFAAMO COc1cccc(CNC(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)c1OC ZINC000095357114 218290739 /nfs/dbraw/zinc/29/07/39/218290739.db2.gz BHLCKMWSFYNRJQ-KRWDZBQOSA-N 1 1 346.402 2.762 50 0 EFAAMO O=C1CCC2(CC[NH+](Cc3cscn3)CC2)CN1C[C@@H]1CCCO1 ZINC000091519331 284785422 /nfs/dbraw/zinc/78/54/22/284785422.db2.gz NUXRLEJNBYVCGB-INIZCTEOSA-N 1 1 349.500 2.527 50 0 EFAAMO O=C(CC[N@H+]1CCC[C@H](c2nccn2CC2CCC2)C1)N1CCCC1 ZINC000095369079 218300920 /nfs/dbraw/zinc/30/09/20/218300920.db2.gz HHABORBZWVHXNY-SFHVURJKSA-N 1 1 344.503 2.875 50 0 EFAAMO C[N@H+]1CCCCC[C@@H]1C(=O)N1CCC(O)(c2ccc(F)cc2)CC1 ZINC000095368804 218301924 /nfs/dbraw/zinc/30/19/24/218301924.db2.gz NGPNFQXAGXPBIW-QGZVFWFLSA-N 1 1 334.435 2.510 50 0 EFAAMO Cc1ccccc1[C@@H](C(=O)NCCNc1ncccc1C)[NH+](C)C ZINC000095368853 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327.399 2.839 50 0 EFAAMO Cc1cn2cc(C(=O)N3CC[NH+](CCc4ccccc4)CC3)ccc2n1 ZINC000082098224 473287988 /nfs/dbraw/zinc/28/79/88/473287988.db2.gz BLTJDEOJGDJQOI-UHFFFAOYSA-N 1 1 348.450 2.643 50 0 EFAAMO Cc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)c(F)c1 ZINC000082098194 473288255 /nfs/dbraw/zinc/28/82/55/473288255.db2.gz HVNIDWUXHHQUHF-FQEVSTJZSA-N 1 1 348.462 2.721 50 0 EFAAMO Cc1ncsc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC000082092218 473288357 /nfs/dbraw/zinc/28/83/57/473288357.db2.gz RHXRCTUEGQRHKV-IRXDYDNUSA-N 1 1 341.480 2.869 50 0 EFAAMO CCC[C@@H]1C[N@@H+](Cc2cc3c(cc2OC)CCC3)C[C@H]1NC(C)=O ZINC000082114666 473290279 /nfs/dbraw/zinc/29/02/79/473290279.db2.gz KDPHGSZSCJKKJJ-IEBWSBKVSA-N 1 1 330.472 2.921 50 0 EFAAMO C[C@H](C(=O)N1CCN(c2ccccc2)C(=O)C1)[N@@H+](C)C1CCCCC1 ZINC000082108505 473290577 /nfs/dbraw/zinc/29/05/77/473290577.db2.gz LKPBBDUPMKHESN-MRXNPFEDSA-N 1 1 343.471 2.515 50 0 EFAAMO O=C(C[N@H+]1CCC[C@H](c2nccn2CC2CC2)C1)N1CCCCCC1 ZINC000082108894 473290851 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CC(C)CC[N@H+]1CCOc2ccc(CN3CCC(O)CC3)cc2C1 ZINC000014882460 471880949 /nfs/dbraw/zinc/88/09/49/471880949.db2.gz CTHKRVUZPWKKAU-UHFFFAOYSA-N 1 1 332.488 2.884 50 0 EFAAMO COc1cccc(C[N@H+]2CCC[C@H](NC(=O)CC(F)(F)F)C2)c1 ZINC000014949291 471882912 /nfs/dbraw/zinc/88/29/12/471882912.db2.gz UKDGCJADGIRHEZ-ZDUSSCGKSA-N 1 1 330.350 2.728 50 0 EFAAMO CCCn1ncc(CN2CC[C@]3(C2)CCC[N@@H+](CCOC)C3)c1C ZINC000014972340 471884088 /nfs/dbraw/zinc/88/40/88/471884088.db2.gz OHQXGASKDZNTRA-LJQANCHMSA-N 1 1 334.508 2.536 50 0 EFAAMO CCCn1ncc(CN2CC[C@@]3(C2)CCC[N@@H+](CCOC)C3)c1C ZINC000014972344 471884748 /nfs/dbraw/zinc/88/47/48/471884748.db2.gz OHQXGASKDZNTRA-IBGZPJMESA-N 1 1 334.508 2.536 50 0 EFAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)cc1C ZINC000015001463 471885640 /nfs/dbraw/zinc/88/56/40/471885640.db2.gz ZLNBVIMGLUOPHK-KRWDZBQOSA-N 1 1 342.443 2.505 50 0 EFAAMO CN(C(=O)C1CCOCC1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000015061711 471886662 /nfs/dbraw/zinc/88/66/62/471886662.db2.gz 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Nc1cc(N2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)nc[nH+]1 ZINC000067690526 472073609 /nfs/dbraw/zinc/07/36/09/472073609.db2.gz RNYMHRQAHOVOFW-ZDUSSCGKSA-N 1 1 338.390 2.972 50 0 EFAAMO COc1c(F)cccc1C(=O)N1CCN(c2[nH+]cccc2C)CC1 ZINC000067755903 472084822 /nfs/dbraw/zinc/08/48/22/472084822.db2.gz CVUPIVZXCXLAGO-UHFFFAOYSA-N 1 1 329.375 2.500 50 0 EFAAMO Nc1nc(N2CCC(CO)(CCCc3ccccc3)CC2)cc[nH+]1 ZINC000067879743 472103246 /nfs/dbraw/zinc/10/32/46/472103246.db2.gz XWMNSXWGSICEJS-UHFFFAOYSA-N 1 1 326.444 2.661 50 0 EFAAMO CNC(=O)CC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000025911035 472117597 /nfs/dbraw/zinc/11/75/97/472117597.db2.gz HEIIZEXTZPDEOM-UHFFFAOYSA-N 1 1 337.467 2.530 50 0 EFAAMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCn1cccc1 ZINC000084456764 472182016 /nfs/dbraw/zinc/18/20/16/472182016.db2.gz QIIPLVYVCFYIJQ-LJQANCHMSA-N 1 1 340.471 2.652 50 0 EFAAMO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccccc2Cl)CC1 ZINC000043268228 472214590 /nfs/dbraw/zinc/21/45/90/472214590.db2.gz WUQSWBNDAXVGCY-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/47/27/30/472472730.db2.gz GDUGGKTXGCABFW-HNNXBMFYSA-N 1 1 348.472 2.922 50 0 EFAAMO Cc1cn2nc(N3CC[C@H](CNc4ccc(C)c[nH+]4)C3)sc2n1 ZINC000097200960 472476668 /nfs/dbraw/zinc/47/66/68/472476668.db2.gz CNUIRVVRLINIHE-CYBMUJFWSA-N 1 1 328.445 2.741 50 0 EFAAMO c1coc(-c2nnc(C[N@H+]3CC[C@H](CNc4ccccn4)C3)o2)c1 ZINC000097200486 472476714 /nfs/dbraw/zinc/47/67/14/472476714.db2.gz APRCFZGLUBTFSX-CYBMUJFWSA-N 1 1 325.372 2.659 50 0 EFAAMO c1coc(-c2nnc(C[N@@H+]3CC[C@H](CNc4ccccn4)C3)o2)c1 ZINC000097200486 472476725 /nfs/dbraw/zinc/47/67/25/472476725.db2.gz APRCFZGLUBTFSX-CYBMUJFWSA-N 1 1 325.372 2.659 50 0 EFAAMO Cc1cn2nc(N3CC[C@@H](CNc4ccc(C)c[nH+]4)C3)sc2n1 ZINC000097200959 472478303 /nfs/dbraw/zinc/47/83/03/472478303.db2.gz CNUIRVVRLINIHE-ZDUSSCGKSA-N 1 1 328.445 2.741 50 0 EFAAMO COc1ccc(OC2CCN(C(=O)[C@@H]3CCCCC[N@H+]3C)CC2)cc1 ZINC000077288145 472493910 /nfs/dbraw/zinc/49/39/10/472493910.db2.gz IPEIYMVBIBMERG-IBGZPJMESA-N 1 1 346.471 2.939 50 0 EFAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cc(C)nc2ccc(CC)cc21 ZINC000077286164 472493981 /nfs/dbraw/zinc/49/39/81/472493981.db2.gz KVDOUDFTGITTBV-OALUTQOASA-N 1 1 341.455 2.555 50 0 EFAAMO Cc1ncsc1CCC(=O)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000077287339 472494023 /nfs/dbraw/zinc/49/40/23/472494023.db2.gz QIRMSVOXERBPBK-UHFFFAOYSA-N 1 1 344.484 2.514 50 0 EFAAMO Cc1ncsc1CCC(=O)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000077287339 472494029 /nfs/dbraw/zinc/49/40/29/472494029.db2.gz QIRMSVOXERBPBK-UHFFFAOYSA-N 1 1 344.484 2.514 50 0 EFAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)c1ccc2n[nH]nc2c1 ZINC000077287077 472494611 /nfs/dbraw/zinc/49/46/11/472494611.db2.gz WOZIKSXHBBJKNJ-HNNXBMFYSA-N 1 1 338.415 2.548 50 0 EFAAMO Cc1nc2c(c(N(C)C[C@H]3CC[N@@H+](C)C3)n1)Cc1ccccc1OC2 ZINC000097402553 472495796 /nfs/dbraw/zinc/49/57/96/472495796.db2.gz FTKQAAFWILCRBV-HNNXBMFYSA-N 1 1 338.455 2.656 50 0 EFAAMO c1cnn(CC[C@H]2CCCC[N@H+]2Cc2nc(-c3ccco3)no2)c1 ZINC000077300467 472497569 /nfs/dbraw/zinc/49/75/69/472497569.db2.gz BELJWYZAYVRYME-CQSZACIVSA-N 1 1 327.388 2.971 50 0 EFAAMO COC(=O)c1cccc(C(=O)N2CCC[N@H+](C3CCCCC3)CC2)c1 ZINC000077319560 472501422 /nfs/dbraw/zinc/50/14/22/472501422.db2.gz XGRIVWHSVJOHNW-UHFFFAOYSA-N 1 1 344.455 2.954 50 0 EFAAMO Cc1nc(CC(=O)NCC[N@H+]2CC[C@H](c3ccccc3C)C2)cs1 ZINC000077318987 472501973 /nfs/dbraw/zinc/50/19/73/472501973.db2.gz PWXKPWIMNJWBJR-INIZCTEOSA-N 1 1 343.496 2.908 50 0 EFAAMO CN(C)C(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CCn2cccn2)o1 ZINC000077322164 472503626 /nfs/dbraw/zinc/50/36/26/472503626.db2.gz YDMULKFKMLXQHS-OAHLLOKOSA-N 1 1 330.432 2.623 50 0 EFAAMO Cc1ncc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cn1 ZINC000077322378 472503953 /nfs/dbraw/zinc/50/39/53/472503953.db2.gz GFOMVEWJZLGQTQ-UHFFFAOYSA-N 1 1 338.455 2.566 50 0 EFAAMO O=C(NCC[N@H+]1CC[C@@H](c2ccccc2)C1)c1cn2ccsc2n1 ZINC000097679883 472504376 /nfs/dbraw/zinc/50/43/76/472504376.db2.gz UTUDASGCFYKFHJ-OAHLLOKOSA-N 1 1 340.452 2.615 50 0 EFAAMO CC(C)[N@H+]1CCO[C@H](CC(=O)N(C)CCn2ccc3ccccc32)C1 ZINC000097797621 472508270 /nfs/dbraw/zinc/50/82/70/472508270.db2.gz HZAKYGNHZVSUQR-GOSISDBHSA-N 1 1 343.471 2.599 50 0 EFAAMO Cc1noc2ncnc(N3CCC[N@@H+](Cc4cccs4)CC3)c12 ZINC000077385391 472518659 /nfs/dbraw/zinc/51/86/59/472518659.db2.gz OBVRFWALQMPJTQ-UHFFFAOYSA-N 1 1 329.429 2.700 50 0 EFAAMO COc1ccc(F)cc1CN1CCC([C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000077470692 472533089 /nfs/dbraw/zinc/53/30/89/472533089.db2.gz IOIUQEWHRQXILW-MRXNPFEDSA-N 1 1 349.494 2.682 50 0 EFAAMO CCc1nccn1CCC(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000077488203 472537075 /nfs/dbraw/zinc/53/70/75/472537075.db2.gz PMXYVDNGWLPTJF-UHFFFAOYSA-N 1 1 346.500 2.632 50 0 EFAAMO c1cc2c(ncnc2N2CCC[N@H+](C3Cc4ccccc4C3)CC2)[nH]1 ZINC000077489157 472537594 /nfs/dbraw/zinc/53/75/94/472537594.db2.gz UHQONLCBWGEEIT-UHFFFAOYSA-N 1 1 333.439 2.637 50 0 EFAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)CCOc1ccccc1 ZINC000077487918 472538053 /nfs/dbraw/zinc/53/80/53/472538053.db2.gz QFFSVSDZGGZFJT-IBGZPJMESA-N 1 1 338.451 2.971 50 0 EFAAMO Cc1cc(C[N@H+]2CCC[C@H]2c2c(C)noc2C)c(C)n1-n1cnnc1 ZINC000071416147 472550524 /nfs/dbraw/zinc/55/05/24/472550524.db2.gz VRMJWLGESORHHF-KRWDZBQOSA-N 1 1 340.431 2.950 50 0 EFAAMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(-c3cccnc3)nc2)C1 ZINC000071405558 472550675 /nfs/dbraw/zinc/55/06/75/472550675.db2.gz MBXIUXXVZXFGHC-INIZCTEOSA-N 1 1 338.455 2.851 50 0 EFAAMO C/C=C/C[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000077539032 472550755 /nfs/dbraw/zinc/55/07/55/472550755.db2.gz RGDUAMKJBLWDGG-ZOXCZHJPSA-N 1 1 327.472 2.905 50 0 EFAAMO c1cc2c(ncnc2N2CCC([N@H+]3CCc4ccccc4C3)CC2)[nH]1 ZINC000077540455 472551324 /nfs/dbraw/zinc/55/13/24/472551324.db2.gz OVPOHOUJNXXBAR-UHFFFAOYSA-N 1 1 333.439 2.985 50 0 EFAAMO O=C([C@@H]1CCC[N@H+](C2CCN(Cc3ccoc3)CC2)C1)N1CCCC1 ZINC000071523700 472553421 /nfs/dbraw/zinc/55/34/21/472553421.db2.gz ISXAGPFIEXUDJP-GOSISDBHSA-N 1 1 345.487 2.578 50 0 EFAAMO Cc1noc(C)c1CC[N@H+]1CCC(=O)N(CC2CC2)[C@H](C(C)C)C1 ZINC000071589788 472553539 /nfs/dbraw/zinc/55/35/39/472553539.db2.gz HSDHDHQFEDJLRF-SFHVURJKSA-N 1 1 333.476 2.803 50 0 EFAAMO CCOCC[N@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071681452 472554881 /nfs/dbraw/zinc/55/48/81/472554881.db2.gz AAFOJGCENNRXFN-SFHVURJKSA-N 1 1 336.451 2.921 50 0 EFAAMO COc1ccc(C(=O)N2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)c(O)c1 ZINC000071714540 472555944 /nfs/dbraw/zinc/55/59/44/472555944.db2.gz AEEFFSPNRNQVHV-GOSISDBHSA-N 1 1 346.471 2.983 50 0 EFAAMO CNC(=O)c1ccc(CN2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)o1 ZINC000071745303 472556422 /nfs/dbraw/zinc/55/64/22/472556422.db2.gz PTHTWAMDHUFVPK-QGZVFWFLSA-N 1 1 333.476 2.582 50 0 EFAAMO COc1c(C)cc(C(=O)[C@H]2CCCN(c3cc(N)[nH+]cn3)C2)cc1C ZINC000071750992 472557862 /nfs/dbraw/zinc/55/78/62/472557862.db2.gz NDKNDKOXJANASV-AWEZNQCLSA-N 1 1 340.427 2.784 50 0 EFAAMO CC(C)[C@H]1CN(C(=O)C(C)(C)[NH3+])CCCN1Cc1ccc(F)cc1 ZINC000071749396 472557948 /nfs/dbraw/zinc/55/79/48/472557948.db2.gz YESOJBFCJLVLQL-QGZVFWFLSA-N 1 1 335.467 2.622 50 0 EFAAMO CN(Cc1nc2ccsc2c(=O)[nH]1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000077566182 472558078 /nfs/dbraw/zinc/55/80/78/472558078.db2.gz OTOIKDWZHPNGAA-DZGCQCFKSA-N 1 1 346.500 2.681 50 0 EFAAMO CSc1ccc(-c2nc(C[NH+]3CCC(O)(CO)CC3)c(C)o2)cc1 ZINC000071749219 472558555 /nfs/dbraw/zinc/55/85/55/472558555.db2.gz JKMALJAEICLAJL-UHFFFAOYSA-N 1 1 348.468 2.691 50 0 EFAAMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(-c3ccncc3)nc2)C1 ZINC000071749258 472558921 /nfs/dbraw/zinc/55/89/21/472558921.db2.gz LTEDEROZWYLYLC-MRXNPFEDSA-N 1 1 338.455 2.851 50 0 EFAAMO COc1ccc(OC)c(-c2nc(C[N@@H+]3CCCOCC3)c(C)o2)c1 ZINC000071746388 472559001 /nfs/dbraw/zinc/55/90/01/472559001.db2.gz JUJMQWRRQQGFOU-UHFFFAOYSA-N 1 1 332.400 2.890 50 0 EFAAMO COc1ccc(OC)c(-c2nc(C[N@H+]3CCCOCC3)c(C)o2)c1 ZINC000071746388 472559008 /nfs/dbraw/zinc/55/90/08/472559008.db2.gz JUJMQWRRQQGFOU-UHFFFAOYSA-N 1 1 332.400 2.890 50 0 EFAAMO Nc1cc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)nc[nH+]1 ZINC000071763158 472561419 /nfs/dbraw/zinc/56/14/19/472561419.db2.gz 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COCCCC[NH+]1CCN(C(=O)c2cc(F)ccc2Cl)CC1 ZINC000584895495 479273843 /nfs/dbraw/zinc/27/38/43/479273843.db2.gz YPJNPUBCXRJGCY-UHFFFAOYSA-N 1 1 328.815 2.664 50 0 EFAAMO CCN(Cc1noc(C2CC2)n1)C(=O)NCCC[N@H+]1CCC[C@H](C)C1 ZINC000584894080 479274761 /nfs/dbraw/zinc/27/47/61/479274761.db2.gz YYXQQFMIQPKAMP-AWEZNQCLSA-N 1 1 349.479 2.601 50 0 EFAAMO CCC[N@H+]1CC[C@H](NC(=O)N2CCN(c3ccc(C)cc3C)CC2)C1 ZINC000584899269 479275193 /nfs/dbraw/zinc/27/51/93/479275193.db2.gz QJNIHUDAURRRLR-SFHVURJKSA-N 1 1 344.503 2.619 50 0 EFAAMO Cc1cccc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)c1F ZINC000121337666 524217897 /nfs/dbraw/zinc/21/78/97/524217897.db2.gz FJHJSYGXXDBUAM-UHFFFAOYSA-N 1 1 329.375 2.887 50 0 EFAAMO CCCc1ccc(C[NH+]2CCC(C(N)=O)(N3CCCCC3)CC2)o1 ZINC000216280469 535416278 /nfs/dbraw/zinc/41/62/78/535416278.db2.gz LPRAGIUCFVBHLV-UHFFFAOYSA-N 1 1 333.476 2.538 50 0 EFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(-c2ncccc2OC)c1 ZINC000426513492 535568172 /nfs/dbraw/zinc/56/81/72/535568172.db2.gz 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NC(=O)c1c[nH]nc1[C@@H]1CCCC[N@H+]1CC1CCC(F)(F)CC1 ZINC000685939962 550196823 /nfs/dbraw/zinc/19/68/23/550196823.db2.gz WLLZDUJGJNHBIN-ZDUSSCGKSA-N 1 1 326.391 2.861 50 0 EFAAMO NC(=O)c1cn[nH]c1[C@@H]1CCCC[N@@H+]1CC1CCC(F)(F)CC1 ZINC000685939962 550196824 /nfs/dbraw/zinc/19/68/24/550196824.db2.gz WLLZDUJGJNHBIN-ZDUSSCGKSA-N 1 1 326.391 2.861 50 0 EFAAMO NC(=O)c1cn[nH]c1[C@@H]1CCCC[N@H+]1CC1CCC(F)(F)CC1 ZINC000685939962 550196828 /nfs/dbraw/zinc/19/68/28/550196828.db2.gz WLLZDUJGJNHBIN-ZDUSSCGKSA-N 1 1 326.391 2.861 50 0 EFAAMO OCc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)cc1 ZINC000685940823 550197599 /nfs/dbraw/zinc/19/75/99/550197599.db2.gz JEXILAQFLFMIKS-PXNSSMCTSA-N 1 1 339.439 2.993 50 0 EFAAMO Cc1cc(C[N@@H+]2C[C@H](c3nnc(C(C)C)[nH]3)[C@@H](C3CC3)C2)ncn1 ZINC000685942122 550197609 /nfs/dbraw/zinc/19/76/09/550197609.db2.gz GFJIWIRABSXOSH-CVEARBPZSA-N 1 1 326.448 2.652 50 0 EFAAMO Cc1cc(C[N@H+]2C[C@H](c3nc(C(C)C)n[nH]3)[C@@H](C3CC3)C2)ncn1 ZINC000685942122 550197610 /nfs/dbraw/zinc/19/76/10/550197610.db2.gz GFJIWIRABSXOSH-CVEARBPZSA-N 1 1 326.448 2.652 50 0 EFAAMO Cc1cc(C[N@@H+]2C[C@H](c3nc(C(C)C)n[nH]3)[C@@H](C3CC3)C2)ncn1 ZINC000685942122 550197611 /nfs/dbraw/zinc/19/76/11/550197611.db2.gz GFJIWIRABSXOSH-CVEARBPZSA-N 1 1 326.448 2.652 50 0 EFAAMO Cc1ccc(NC(=O)CC[N@H+](C)[C@@H](C)Cc2cnccn2)c(C)c1 ZINC000252500123 568419118 /nfs/dbraw/zinc/41/91/18/568419118.db2.gz SNJLRFYZWZHTBW-INIZCTEOSA-N 1 1 326.444 2.985 50 0 EFAAMO CCCCn1c2ccccc2nc1C[N@H+]1C[C@@H]2COCC[C@]2(CO)C1 ZINC001772708049 1249294785 /nfs/dbraw/zinc/29/47/85/1249294785.db2.gz CLOYICGUDPFWEA-OXQOHEQNSA-N 1 1 343.471 2.667 50 0 EFAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cc(O)ccc1F ZINC001772708753 1249296288 /nfs/dbraw/zinc/29/62/88/1249296288.db2.gz BTACWMROXGKCNR-UHFFFAOYSA-N 1 1 325.343 2.955 50 0 EFAAMO CN(C)c1nc(NC[C@@H]2CCC[N@@H+](Cc3ccco3)C2)ncc1F ZINC001772710485 1249297571 /nfs/dbraw/zinc/29/75/71/1249297571.db2.gz ARPJBBVFWMWMDY-ZDUSSCGKSA-N 1 1 333.411 2.599 50 0 EFAAMO C[NH+]1CCC(O)(c2nc(COc3ccc(C(C)(C)C)cc3)n[nH]2)CC1 ZINC000823761067 1265424815 /nfs/dbraw/zinc/42/48/15/1265424815.db2.gz CJVKVGHAFQYKHX-UHFFFAOYSA-N 1 1 344.459 2.594 50 0 EFAAMO C[N@H+]1CCC[C@@H](CCC(=O)Nc2ccccc2CN2CCOCC2)C1 ZINC000823770577 1265427749 /nfs/dbraw/zinc/42/77/49/1265427749.db2.gz AHKDIUCORGHIAL-KRWDZBQOSA-N 1 1 345.487 2.579 50 0 EFAAMO O=C(CC[C@@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1)NC1CC1 ZINC000012304901 1265838848 /nfs/dbraw/zinc/83/88/48/1265838848.db2.gz GJWHOZBVTLQKQC-AWEZNQCLSA-N 1 1 326.444 2.834 50 0 EFAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1)NC1CC1 ZINC000012304901 1265838858 /nfs/dbraw/zinc/83/88/58/1265838858.db2.gz GJWHOZBVTLQKQC-AWEZNQCLSA-N 1 1 326.444 2.834 50 0 EFAAMO CN1CCC([N@H+]2CCC[C@H](NC(=O)Cc3ccccc3Cl)C2)CC1 ZINC000011711380 1263374938 /nfs/dbraw/zinc/37/49/38/1263374938.db2.gz WBCYROSKDTWDAB-INIZCTEOSA-N 1 1 349.906 2.557 50 0 EFAAMO C[NH+]1CCC(N2CCC[C@H](NC(=O)Cc3ccccc3Cl)C2)CC1 ZINC000011711380 1263374943 /nfs/dbraw/zinc/37/49/43/1263374943.db2.gz WBCYROSKDTWDAB-INIZCTEOSA-N 1 1 349.906 2.557 50 0 EFAAMO COc1cccc(C[C@@]2(CO)CCC[N@@H+](Cc3ccncc3)C2)c1 ZINC000011821469 1264036514 /nfs/dbraw/zinc/03/65/14/1264036514.db2.gz SNEPAIGLXWYJES-FQEVSTJZSA-N 1 1 326.440 2.907 50 0 EFAAMO CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccn2-c2ccccn2)C1 ZINC000011912490 1264485628 /nfs/dbraw/zinc/48/56/28/1264485628.db2.gz GYZILTCKGQETBB-MJGOQNOKSA-N 1 1 338.455 2.705 50 0 EFAAMO CC(=O)N1CCO[C@H](CNc2cc(C)c3ccc(C)c(C)c3[nH+]2)C1 ZINC000820570184 1264789653 /nfs/dbraw/zinc/78/96/53/1264789653.db2.gz OJTYIBCTMXRBFI-MRXNPFEDSA-N 1 1 327.428 2.819 50 0 EFAAMO Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2nncn2CCc2ccccc2)n1 ZINC000821508411 1264964232 /nfs/dbraw/zinc/96/42/32/1264964232.db2.gz QSFAIDBNPKYIMB-MRXNPFEDSA-N 1 1 338.459 2.512 50 0 EFAAMO C[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)C(C)(C)n1cccc1 ZINC000821768626 1264995664 /nfs/dbraw/zinc/99/56/64/1264995664.db2.gz MALSVZIJGWZNIX-MRXNPFEDSA-N 1 1 325.456 2.786 50 0 EFAAMO Cc1ccccc1[C@H](C(=O)NCc1noc(C2CCCC2)n1)[NH+](C)C ZINC000823652644 1265396078 /nfs/dbraw/zinc/39/60/78/1265396078.db2.gz UQPKYYOKNCELLY-QGZVFWFLSA-N 1 1 342.443 2.955 50 0 EFAAMO C[NH+](C)CC(=O)Nc1ccccc1NC(=O)Cc1ccc(F)c(F)c1 ZINC000823678738 1265411478 /nfs/dbraw/zinc/41/14/78/1265411478.db2.gz YAGGZVNJXBJQOE-UHFFFAOYSA-N 1 1 347.365 2.646 50 0 EFAAMO Cc1[nH+]ccn1CC(=O)Nc1ccccc1C(=O)N1CCCC[C@@H]1C ZINC000827861574 1267496610 /nfs/dbraw/zinc/49/66/10/1267496610.db2.gz WKSDQKHXFMBFBM-AWEZNQCLSA-N 1 1 340.427 2.845 50 0 EFAAMO Cc1n[nH]c(C)c1CC(=O)NCC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000827847776 1267503319 /nfs/dbraw/zinc/50/33/19/1267503319.db2.gz NPVHUHAAEZNCFE-GOSISDBHSA-N 1 1 340.471 2.565 50 0 EFAAMO CC(C)[N@H+]1CCC[C@H]1CNC(=O)N1CCC(CCn2cccn2)CC1 ZINC000827910257 1267509973 /nfs/dbraw/zinc/50/99/73/1267509973.db2.gz KUUQYKMKWXBHKI-SFHVURJKSA-N 1 1 347.507 2.568 50 0 EFAAMO Cc1[nH+]ccn1CCN(C)C(=O)/C=C/c1nc2ccccc2s1 ZINC000827883290 1267512647 /nfs/dbraw/zinc/51/26/47/1267512647.db2.gz 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Cc1ccc([C@@H](C(=O)NCCCNc2cccnc2)[NH+](C)C)cc1 ZINC000091602335 218030112 /nfs/dbraw/zinc/03/01/12/218030112.db2.gz KBQNFBAWWAPFHS-SFHVURJKSA-N 1 1 326.444 2.611 50 0 EFAAMO O=C1[C@H]2CC[C@H](C[N@H+](C3Cc4ccccc4C3)C2)N1Cc1ccccn1 ZINC000091691353 218047695 /nfs/dbraw/zinc/04/76/95/218047695.db2.gz SRXJAYYEHZKKQX-AZUAARDMSA-N 1 1 347.462 2.672 50 0 EFAAMO CCCCc1nc(NCCN2C[C@@]3(CCOC3)CCC2=O)cc(C)[nH+]1 ZINC000091694332 218048970 /nfs/dbraw/zinc/04/89/70/218048970.db2.gz PJZXYAREMZWKQI-IBGZPJMESA-N 1 1 346.475 2.569 50 0 EFAAMO CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(CN(C)C)o1)C2 ZINC000091713189 218052178 /nfs/dbraw/zinc/05/21/78/218052178.db2.gz PWTNHCYUUVYDKK-IAGOWNOFSA-N 1 1 345.487 2.844 50 0 EFAAMO COCC[C@@]1(CO)CCC[N@H+](Cc2c[nH]c(CC3CCCC3)n2)C1 ZINC000091626304 218035192 /nfs/dbraw/zinc/03/51/92/218035192.db2.gz UWIUQWSGKOVIMX-IBGZPJMESA-N 1 1 335.492 2.753 50 0 EFAAMO COCC[C@@]1(CO)CCC[N@@H+](Cc2c[nH]c(CC3CCCC3)n2)C1 ZINC000091626304 218035194 /nfs/dbraw/zinc/03/51/94/218035194.db2.gz UWIUQWSGKOVIMX-IBGZPJMESA-N 1 1 335.492 2.753 50 0 EFAAMO COCCN(Cc1ccccn1)C(=O)[C@H](c1cccc(C)c1)[NH+](C)C ZINC000091645240 218039274 /nfs/dbraw/zinc/03/92/74/218039274.db2.gz KLIYOUQSZBPGQJ-IBGZPJMESA-N 1 1 341.455 2.668 50 0 EFAAMO CNc1nc(C)c(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC=C(C)C)C2)s1 ZINC000091646148 218040075 /nfs/dbraw/zinc/04/00/75/218040075.db2.gz IAWRETGUOQRGPM-HUUCEWRRSA-N 1 1 348.516 2.996 50 0 EFAAMO c1cc(-c2ccc(-c3cn(CCc4c[nH+]c5ccccn45)nn3)o2)n[nH]1 ZINC000091656296 218040577 /nfs/dbraw/zinc/04/05/77/218040577.db2.gz RQQXHVJZDWAZGI-UHFFFAOYSA-N 1 1 345.366 2.819 50 0 EFAAMO CC[C@@H]1CN(C(=O)c2c(F)ccc(OC)c2F)CC[N@H+]1C(C)C ZINC000091656528 218041362 /nfs/dbraw/zinc/04/13/62/218041362.db2.gz HERNTXOHNNOYNO-GFCCVEGCSA-N 1 1 326.387 2.918 50 0 EFAAMO CC[C@H]1CN(C(=O)c2c(F)ccc(OC)c2F)CC[N@H+]1C(C)C ZINC000091656529 218041436 /nfs/dbraw/zinc/04/14/36/218041436.db2.gz HERNTXOHNNOYNO-LBPRGKRZSA-N 1 1 326.387 2.918 50 0 EFAAMO CSc1nc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)cs1 ZINC000091665337 218044566 /nfs/dbraw/zinc/04/45/66/218044566.db2.gz TUYNETWSNMJJHR-CHWSQXEVSA-N 1 1 337.514 2.811 50 0 EFAAMO Cc1cccc(C[N@H+]2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)c1 ZINC000091713938 218054105 /nfs/dbraw/zinc/05/41/05/218054105.db2.gz KZTMGBUYZJTNQG-TZIWHRDSSA-N 1 1 342.483 2.580 50 0 EFAAMO COCC[N@@H+](Cc1ccncc1)Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000091737727 218056411 /nfs/dbraw/zinc/05/64/11/218056411.db2.gz MWIMJVSWAMMBPY-UHFFFAOYSA-N 1 1 337.423 2.880 50 0 EFAAMO COCC[N@H+](Cc1ccncc1)Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000091737727 218056412 /nfs/dbraw/zinc/05/64/12/218056412.db2.gz MWIMJVSWAMMBPY-UHFFFAOYSA-N 1 1 337.423 2.880 50 0 EFAAMO CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)[C@@H]1CCCCC[N@H+]1C ZINC000091746223 218057800 /nfs/dbraw/zinc/05/78/00/218057800.db2.gz KZDXHCNEVURUDG-SFHVURJKSA-N 1 1 326.444 2.910 50 0 EFAAMO Cc1cc(-c2ccccc2)nc(C[N@H+]2CC[C@]3(C2)CCCNC3=O)n1 ZINC000091747116 218059574 /nfs/dbraw/zinc/05/95/74/218059574.db2.gz AFGSRPMNRCQKKP-FQEVSTJZSA-N 1 1 336.439 2.554 50 0 EFAAMO Cc1cc(-c2ccccc2)nc(C[N@H+]2CC[C@@]3(C2)CCCNC3=O)n1 ZINC000091747115 218059706 /nfs/dbraw/zinc/05/97/06/218059706.db2.gz AFGSRPMNRCQKKP-HXUWFJFHSA-N 1 1 336.439 2.554 50 0 EFAAMO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)CC[C@@]1(O)C1CCOCC1 ZINC000091756676 218060220 /nfs/dbraw/zinc/06/02/20/218060220.db2.gz ZWLKXHVWOWKJBE-ACJLOTCBSA-N 1 1 325.399 2.964 50 0 EFAAMO COC[C@]1(O)CC[N@@H+](CCCOc2ccccc2OC)CC1(C)C ZINC000091756727 218060819 /nfs/dbraw/zinc/06/08/19/218060819.db2.gz UPGUDIXSNMVBPE-LJQANCHMSA-N 1 1 337.460 2.574 50 0 EFAAMO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2[nH]cnc2C)C3)cs1 ZINC000091914654 218087943 /nfs/dbraw/zinc/08/79/43/218087943.db2.gz MGUUGHBESGGIST-GOEBONIOSA-N 1 1 344.484 2.825 50 0 EFAAMO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2[nH]cnc2C)C3)cs1 ZINC000091914654 218087945 /nfs/dbraw/zinc/08/79/45/218087945.db2.gz MGUUGHBESGGIST-GOEBONIOSA-N 1 1 344.484 2.825 50 0 EFAAMO COCC[C@]1(O)CC[N@H+](C2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000091986702 218100009 /nfs/dbraw/zinc/10/00/09/218100009.db2.gz ULBXLQXMFPAYQD-YLJYHZDGSA-N 1 1 332.488 2.765 50 0 EFAAMO C[C@@H]1C[N@@H+](CCC(=O)N(C)Cc2ccccc2)CC[C@@]1(O)C1CCC1 ZINC000092037196 218107986 /nfs/dbraw/zinc/10/79/86/218107986.db2.gz BDJRIDSWMIONBX-UTKZUKDTSA-N 1 1 344.499 2.908 50 0 EFAAMO CCN(Cc1cnn(CC)c1)C(=O)[C@@H](c1cccc(C)c1)[NH+](C)C ZINC000092081383 218117609 /nfs/dbraw/zinc/11/76/09/218117609.db2.gz YCEBRCXUTRBLMV-GOSISDBHSA-N 1 1 328.460 2.863 50 0 EFAAMO Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000010335339 211165905 /nfs/dbraw/zinc/16/59/05/211165905.db2.gz PLVILHVDNOBQEH-QGZVFWFLSA-N 1 1 336.432 2.715 50 0 EFAAMO COc1cccc(Nc2nc(N)nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)n2)c1 ZINC000009483682 211090644 /nfs/dbraw/zinc/09/06/44/211090644.db2.gz PELYXYXDTZWKDT-CHWSQXEVSA-N 1 1 342.447 2.684 50 0 EFAAMO O=C(Nc1ccccc1Cl)[C@@H]1C=C(O)NC(Nc2ccccc2)=[NH+]1 ZINC000009355695 211073474 /nfs/dbraw/zinc/07/34/74/211073474.db2.gz SAMBJBZLKHCNSB-AWEZNQCLSA-N 1 1 342.786 2.635 50 0 EFAAMO COc1ccc(OC)c(CNC(=O)[C@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000095353568 218287320 /nfs/dbraw/zinc/28/73/20/218287320.db2.gz XTFWGKNDZRIUAD-IBGZPJMESA-N 1 1 342.439 2.931 50 0 EFAAMO C[N@H+]1CCC[C@H](CCC(=O)NCCc2noc(-c3ccccc3)n2)C1 ZINC000095353646 218287483 /nfs/dbraw/zinc/28/74/83/218287483.db2.gz ICEKVICYLLKSDZ-OAHLLOKOSA-N 1 1 342.443 2.517 50 0 EFAAMO CCCc1nnc(NCc2cc3n(n2)CCC[N@@H+](CC(C)C)C3)o1 ZINC000095352770 218286749 /nfs/dbraw/zinc/28/67/49/218286749.db2.gz CHVFIOBWAHRHLZ-UHFFFAOYSA-N 1 1 332.452 2.692 50 0 EFAAMO O=C(NCCOCc1ccccc1)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095359452 218292975 /nfs/dbraw/zinc/29/29/75/218292975.db2.gz YEUSQWUCZHOILK-SFHVURJKSA-N 1 1 330.472 2.974 50 0 EFAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCc1nc2c(s1)CCCC2 ZINC000095355481 218289475 /nfs/dbraw/zinc/28/94/75/218289475.db2.gz HDBAAMROJYMRBB-CQSZACIVSA-N 1 1 335.517 2.945 50 0 EFAAMO CN(C)[C@H](C(=O)NCCC[N@@H+](C)C1CCCC1)c1ccccc1F ZINC000095357152 218290490 /nfs/dbraw/zinc/29/04/90/218290490.db2.gz FWOCOWOKBFJUBV-SFHVURJKSA-N 1 1 335.467 2.809 50 0 EFAAMO CCN(Cc1cnn(CC)c1)C(=O)[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000095356970 218290512 /nfs/dbraw/zinc/29/05/12/218290512.db2.gz KQFMIUNKFIKHGF-KRWDZBQOSA-N 1 1 332.423 2.694 50 0 EFAAMO COc1cccc(CNC(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)c1OC ZINC000095357115 218290516 /nfs/dbraw/zinc/29/05/16/218290516.db2.gz BHLCKMWSFYNRJQ-QGZVFWFLSA-N 1 1 346.402 2.762 50 0 EFAAMO C[NH+](C)[C@@H](C(=O)NCCN1CCc2ccccc21)c1cccc(F)c1 ZINC000095356808 218290666 /nfs/dbraw/zinc/29/06/66/218290666.db2.gz SKAXUNNVOCTWMV-LJQANCHMSA-N 1 1 341.430 2.607 50 0 EFAAMO CCOc1ncccc1C(=O)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000095358862 218291560 /nfs/dbraw/zinc/29/15/60/218291560.db2.gz SHVPRWZITOZIPL-IAGOWNOFSA-N 1 1 343.471 2.817 50 0 EFAAMO CN(C)[C@H](C(=O)N(C)CC[N@@H+](C)C1CCCC1)c1ccc(F)cc1 ZINC000095367185 218298885 /nfs/dbraw/zinc/29/88/85/218298885.db2.gz KIQFORJZDVCDEA-SFHVURJKSA-N 1 1 335.467 2.761 50 0 EFAAMO CN(Cc1ccc2c(c1)CN(C)C2)C(=O)CC[C@@H]1CCC[N@H+](C)C1 ZINC000095360882 218294273 /nfs/dbraw/zinc/29/42/73/218294273.db2.gz XXHIWFOVMQXBBZ-INIZCTEOSA-N 1 1 329.488 2.712 50 0 EFAAMO CN(Cc1ccc2c(c1)CN(C)C2)C(=O)CC[C@@H]1CCC[N@@H+](C)C1 ZINC000095360882 218294275 /nfs/dbraw/zinc/29/42/75/218294275.db2.gz XXHIWFOVMQXBBZ-INIZCTEOSA-N 1 1 329.488 2.712 50 0 EFAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1cnn(-c2cccc(F)c2)c1 ZINC000095363038 218295557 /nfs/dbraw/zinc/29/55/57/218295557.db2.gz SIQSLFPBFSISPF-KRWDZBQOSA-N 1 1 344.434 2.892 50 0 EFAAMO Cc1ccc(N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)nn1 ZINC000095364553 218298319 /nfs/dbraw/zinc/29/83/19/218298319.db2.gz BIEKNGOCYZIEHF-INIZCTEOSA-N 1 1 334.427 2.809 50 0 EFAAMO C[NH+](C)[C@@H](C(=O)NCc1[nH]nc2c1CCCCC2)c1cccc(F)c1 ZINC000095374336 218307397 /nfs/dbraw/zinc/30/73/97/218307397.db2.gz QGHQVHXERJPRES-GOSISDBHSA-N 1 1 344.434 2.737 50 0 EFAAMO C[NH+](C)[C@H](C(=O)NCc1[nH]nc2c1CCCCC2)c1cccc(F)c1 ZINC000095374335 218307427 /nfs/dbraw/zinc/30/74/27/218307427.db2.gz QGHQVHXERJPRES-SFHVURJKSA-N 1 1 344.434 2.737 50 0 EFAAMO CCCc1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccco3)C2)[nH]n1 ZINC000095375298 218307463 /nfs/dbraw/zinc/30/74/63/218307463.db2.gz QPAMKFIIVXNDHZ-OAHLLOKOSA-N 1 1 344.459 2.826 50 0 EFAAMO CCCc1cc(CN(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)n[nH]1 ZINC000095375298 218307467 /nfs/dbraw/zinc/30/74/67/218307467.db2.gz QPAMKFIIVXNDHZ-OAHLLOKOSA-N 1 1 344.459 2.826 50 0 EFAAMO CCCc1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccco3)C2)n[nH]1 ZINC000095375298 218307470 /nfs/dbraw/zinc/30/74/70/218307470.db2.gz QPAMKFIIVXNDHZ-OAHLLOKOSA-N 1 1 344.459 2.826 50 0 EFAAMO CCCn1nc(C)c(CNC(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)c1C ZINC000095375477 218307595 /nfs/dbraw/zinc/30/75/95/218307595.db2.gz IPCLHTGLKYRKNC-GOSISDBHSA-N 1 1 346.450 2.968 50 0 EFAAMO C[C@@H](CCc1ncnn1-c1ccc2ccccc2c1)N1CC[NH+](C)CC1 ZINC000095374470 218308146 /nfs/dbraw/zinc/30/81/46/218308146.db2.gz ZNDJUYFAXKVZRL-KRWDZBQOSA-N 1 1 349.482 2.989 50 0 EFAAMO CCn1nc(C)c(CCNC(=O)[C@H]2CCC[N@H+](C3CCCC3)C2)c1C ZINC000095368815 218301964 /nfs/dbraw/zinc/30/19/64/218301964.db2.gz MAWPERPMFCZJKT-KRWDZBQOSA-N 1 1 346.519 2.833 50 0 EFAAMO CCCc1nnc(NC[C@H]2C[C@@H](CO)[N@@H+](C)[C@H]2c2ccccc2F)o1 ZINC000095374099 218305970 /nfs/dbraw/zinc/30/59/70/218305970.db2.gz GBYVDZPMZPFHNC-IIYDPXPESA-N 1 1 348.422 2.627 50 0 EFAAMO CCn1nc(C)c(CNC(=O)[C@@H](c2ccc(C)cc2)[NH+](C)C)c1C ZINC000095373843 218306880 /nfs/dbraw/zinc/30/68/80/218306880.db2.gz XCOJLYJGLCLOOE-GOSISDBHSA-N 1 1 328.460 2.747 50 0 EFAAMO CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](C1CCN(c3ccccc3Cl)CC1)C2 ZINC000095378110 218311055 /nfs/dbraw/zinc/31/10/55/218311055.db2.gz YOWAXZPSYKTDNW-GOEBONIOSA-N 1 1 347.890 2.861 50 0 EFAAMO Nc1cc(NCCc2cn[nH]c2)nc(SCc2ccccc2)[nH+]1 ZINC000095380181 218312584 /nfs/dbraw/zinc/31/25/84/218312584.db2.gz LKMVDPHYXUFGTB-UHFFFAOYSA-N 1 1 326.429 2.729 50 0 EFAAMO Nc1cc(NCCc2cn[nH]c2)[nH+]c(SCc2ccccc2)n1 ZINC000095380181 218312587 /nfs/dbraw/zinc/31/25/87/218312587.db2.gz LKMVDPHYXUFGTB-UHFFFAOYSA-N 1 1 326.429 2.729 50 0 EFAAMO CCOC(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095382215 218314335 /nfs/dbraw/zinc/31/43/35/218314335.db2.gz JBLCWTJWWJVPDS-BRWVUGGUSA-N 1 1 336.382 2.983 50 0 EFAAMO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1)c1ccsc1 ZINC000008896916 211016101 /nfs/dbraw/zinc/01/61/01/211016101.db2.gz DAGHHHNHWSNEGC-HNNXBMFYSA-N 1 1 342.461 2.610 50 0 EFAAMO CC[N@H+]1CCC[C@](C)(C(=O)NCCc2noc(C3CCCC3)n2)C1 ZINC000095382251 218315036 /nfs/dbraw/zinc/31/50/36/218315036.db2.gz WEFAIHLFMFDMIP-SFHVURJKSA-N 1 1 334.464 2.508 50 0 EFAAMO Cc1cc(C(F)(F)F)nn1CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000095376269 218309114 /nfs/dbraw/zinc/30/91/14/218309114.db2.gz MXIQKYUECZGJBB-ZDUSSCGKSA-N 1 1 346.397 2.591 50 0 EFAAMO CCC(C)(C)OC[C@H](O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000008844704 211011192 /nfs/dbraw/zinc/01/11/92/211011192.db2.gz VBUWNYDTKFBEDV-MRXNPFEDSA-N 1 1 337.460 2.628 50 0 biogenic EFAAMO C[N@H+]1CCCC[C@H]1CCC(=O)N(CCO)Cc1ccccc1Cl ZINC000095387477 218319428 /nfs/dbraw/zinc/31/94/28/218319428.db2.gz VPYNBKZGVJGEOC-INIZCTEOSA-N 1 1 338.879 2.925 50 0 EFAAMO C[NH+](C)[C@H](C(=O)NCCc1nc2c(s1)CCC2)c1ccc(F)cc1 ZINC000095389235 218320585 /nfs/dbraw/zinc/32/05/85/218320585.db2.gz ZCBLIXNBYVZMLI-KRWDZBQOSA-N 1 1 347.459 2.733 50 0 EFAAMO Cc1nc(-c2ccc(CNC(=O)[C@@H]3CCCCC[N@@H+]3C)cc2)no1 ZINC000095390452 218321929 /nfs/dbraw/zinc/32/19/29/218321929.db2.gz WXXSLPXPOZSVQF-INIZCTEOSA-N 1 1 328.416 2.536 50 0 EFAAMO CCc1ncc(C(=O)NC[C@@H](c2ccccc2F)[NH+]2CCCC2)cn1 ZINC000095390725 218322781 /nfs/dbraw/zinc/32/27/81/218322781.db2.gz LYUNVTNGKPAEEB-KRWDZBQOSA-N 1 1 342.418 2.745 50 0 EFAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCc1noc(C2CCCC2)n1 ZINC000095383296 218315858 /nfs/dbraw/zinc/31/58/58/218315858.db2.gz WPTOPQLAEZGWRW-OAHLLOKOSA-N 1 1 334.464 2.650 50 0 EFAAMO COc1cccc(CNC(=O)[C@@H](c2cccc(F)c2)[NH+](C)C)c1OC ZINC000095384096 218316099 /nfs/dbraw/zinc/31/60/99/218316099.db2.gz JSCSISYYFCRVJE-QGZVFWFLSA-N 1 1 346.402 2.762 50 0 EFAAMO COc1cc2cccnc2c(NC(=O)NCC[C@@H]2CCC[N@H+]2C)c1 ZINC000095502723 218416525 /nfs/dbraw/zinc/41/65/25/218416525.db2.gz ROPAXQQTKUGKDC-AWEZNQCLSA-N 1 1 328.416 2.849 50 0 EFAAMO C[N@H+]1CCCN(C(=O)Nc2ccccc2OCc2ccccn2)CC1 ZINC000095504233 218417773 /nfs/dbraw/zinc/41/77/73/218417773.db2.gz MVPXLCMNSXAGGH-UHFFFAOYSA-N 1 1 340.427 2.830 50 0 EFAAMO O=C(C[NH+]1CCCCC1)Nc1cccc(I)c1 ZINC000004990669 210352422 /nfs/dbraw/zinc/35/24/22/210352422.db2.gz POANHIHDLGVYST-UHFFFAOYSA-N 1 1 344.196 2.716 50 0 EFAAMO CCOc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc1 ZINC000004934714 210328751 /nfs/dbraw/zinc/32/87/51/210328751.db2.gz LQMSECXGKAUFCR-INIZCTEOSA-N 1 1 343.452 2.989 50 0 EFAAMO CCOc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc1 ZINC000004934714 210328753 /nfs/dbraw/zinc/32/87/53/210328753.db2.gz LQMSECXGKAUFCR-INIZCTEOSA-N 1 1 343.452 2.989 50 0 EFAAMO COc1ccc2ccccc2c1CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000097259141 219006260 /nfs/dbraw/zinc/00/62/60/219006260.db2.gz DIDUGCSOLHNYPX-SFHVURJKSA-N 1 1 326.440 2.991 50 0 EFAAMO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000004863094 210304491 /nfs/dbraw/zinc/30/44/91/210304491.db2.gz ROCDANMCQMBZAV-CYBMUJFWSA-N 1 1 343.427 2.933 50 0 EFAAMO CC[C@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1ccc(Cl)cc1 ZINC000004748554 210269123 /nfs/dbraw/zinc/26/91/23/210269123.db2.gz VLWDWSPDVONSJP-JTQLQIEISA-N 1 1 337.836 2.804 50 0 EFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCn1ccc2c1cccc2OC ZINC000095476558 285256778 /nfs/dbraw/zinc/25/67/78/285256778.db2.gz VXQMEGKDPOXADF-OAHLLOKOSA-N 1 1 329.444 2.641 50 0 EFAAMO OCC[NH+]1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 ZINC000013861677 285260014 /nfs/dbraw/zinc/26/00/14/285260014.db2.gz OFLMIXVKBNAUIB-UHFFFAOYSA-N 1 1 339.464 2.839 50 0 biogenic,in-vitro EFAAMO OCC[C@@H]1CN(Cc2c(F)ccc(F)c2F)CC[N@H+]1C1CCCC1 ZINC000019219933 285264467 /nfs/dbraw/zinc/26/44/67/285264467.db2.gz VYNIXHYYOWOCKZ-CQSZACIVSA-N 1 1 342.405 2.915 50 0 EFAAMO COc1cccc2ccc(C[N@H+]3CC[C@]4(OC)CC[C@@H](O)C[C@H]34)nc21 ZINC000299775019 258085282 /nfs/dbraw/zinc/08/52/82/258085282.db2.gz KDIINWFPJPPITN-IMFGXOCKSA-N 1 1 342.439 2.748 50 0 EFAAMO CCc1ccc2occ(CC(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3OC)c2c1 ZINC000299775219 258085846 /nfs/dbraw/zinc/08/58/46/258085846.db2.gz HITPVTSWZMBCSY-HKUYNNGSSA-N 1 1 344.455 2.762 50 0 EFAAMO O=C(Cc1ccc(F)cc1F)N[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000299782277 258090749 /nfs/dbraw/zinc/09/07/49/258090749.db2.gz SPPGKIAEZWSJEO-KRWDZBQOSA-N 1 1 345.393 2.683 50 0 EFAAMO O=C(Cc1ccc(F)cc1F)N[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000299782277 258090750 /nfs/dbraw/zinc/09/07/50/258090750.db2.gz SPPGKIAEZWSJEO-KRWDZBQOSA-N 1 1 345.393 2.683 50 0 EFAAMO COc1ccc([C@]2(C(=O)NCCn3c[nH+]c(C)c3C)CC2(C)C)cc1 ZINC000299782833 258091047 /nfs/dbraw/zinc/09/10/47/258091047.db2.gz QORMTFHXBICHPW-FQEVSTJZSA-N 1 1 341.455 2.993 50 0 EFAAMO [NH3+]Cc1cccc(NC(=O)N[C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC000299785250 258092465 /nfs/dbraw/zinc/09/24/65/258092465.db2.gz YKHFHMBTEOKMPM-MRXNPFEDSA-N 1 1 344.484 2.993 50 0 EFAAMO CCn1cc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000299785054 258092557 /nfs/dbraw/zinc/09/25/57/258092557.db2.gz ZCFRELLYGCHOIY-KRWDZBQOSA-N 1 1 341.459 2.855 50 0 EFAAMO COCCN1C[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)CC1=O ZINC000299787685 258094242 /nfs/dbraw/zinc/09/42/42/258094242.db2.gz ZGJFTDACZCCZHH-AWEZNQCLSA-N 1 1 344.377 2.632 50 0 EFAAMO O=C(C[N@H+]1C[C@@H]2CC[C@H]1C2)NCc1csc(Cc2ccccc2)n1 ZINC000299788886 258094970 /nfs/dbraw/zinc/09/49/70/258094970.db2.gz VEXDCAQVZOYOOA-WBVHZDCISA-N 1 1 341.480 2.834 50 0 EFAAMO CCc1[nH+]ccn1CCC(=O)NCc1nc(C2CCCCC2)no1 ZINC000299790145 258096354 /nfs/dbraw/zinc/09/63/54/258096354.db2.gz ATLSWGSVWVFBLF-UHFFFAOYSA-N 1 1 331.420 2.583 50 0 EFAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cccc(-c2ccsc2)c1 ZINC000299793381 258098787 /nfs/dbraw/zinc/09/87/87/258098787.db2.gz HLXBHXMFZVIOCJ-IRXDYDNUSA-N 1 1 330.453 2.864 50 0 EFAAMO CC(C)c1cc(CN(C)C(=O)[C@H]2CCC[N@H+](C3CCOCC3)C2)no1 ZINC000299795558 258099667 /nfs/dbraw/zinc/09/96/67/258099667.db2.gz NEPSFDUGLGUELY-HNNXBMFYSA-N 1 1 349.475 2.647 50 0 EFAAMO CC(C)NC(=O)c1cccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)c1 ZINC000299802427 258105639 /nfs/dbraw/zinc/10/56/39/258105639.db2.gz LUEOMUSOPFEYEI-DLBZAZTESA-N 1 1 344.459 2.525 50 0 EFAAMO CC(C)NC(=O)CN1CCC[N@@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071774817 258064038 /nfs/dbraw/zinc/06/40/38/258064038.db2.gz VFWRKDWLDITCIT-IBGZPJMESA-N 1 1 349.494 2.883 50 0 EFAAMO CC(C)NC(=O)C[N@@H+]1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071774817 258064039 /nfs/dbraw/zinc/06/40/39/258064039.db2.gz VFWRKDWLDITCIT-IBGZPJMESA-N 1 1 349.494 2.883 50 0 EFAAMO CC(C)NC(=O)C[N@H+]1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071774817 258064040 /nfs/dbraw/zinc/06/40/40/258064040.db2.gz VFWRKDWLDITCIT-IBGZPJMESA-N 1 1 349.494 2.883 50 0 EFAAMO CC(C)([NH3+])CN1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072161385 258064555 /nfs/dbraw/zinc/06/45/55/258064555.db2.gz UMIZZZOCDOTKOF-KZNAEPCWSA-N 1 1 335.442 2.564 50 0 EFAAMO O=C(NCC[N@@H+]1CCC[C@@H](CO)C1)c1cccc2c(Cl)cccc12 ZINC000215961038 258072189 /nfs/dbraw/zinc/07/21/89/258072189.db2.gz WIIRVZLGDHHUEK-CQSZACIVSA-N 1 1 346.858 2.927 50 0 EFAAMO Cc1nonc1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000299761608 258078530 /nfs/dbraw/zinc/07/85/30/258078530.db2.gz WUMQPESHPCYSLN-CQSZACIVSA-N 1 1 334.807 2.598 50 0 EFAAMO CO[C@]12CC[N@H+](Cc3noc(-c4ccc(C)cc4)n3)[C@H]1C[C@@H](O)CC2 ZINC000299761461 258078836 /nfs/dbraw/zinc/07/88/36/258078836.db2.gz ROHUFAFPXMQAQN-TXPKVOOTSA-N 1 1 343.427 2.549 50 0 EFAAMO CO[C@]12CC[N@@H+](Cc3noc(-c4ccc(C)cc4)n3)[C@H]1C[C@@H](O)CC2 ZINC000299761461 258078838 /nfs/dbraw/zinc/07/88/38/258078838.db2.gz ROHUFAFPXMQAQN-TXPKVOOTSA-N 1 1 343.427 2.549 50 0 EFAAMO COc1ccccc1OCC[N@@H+]1CC[C@]2(OC)CC[C@H](OC)C[C@H]12 ZINC000299767174 258082038 /nfs/dbraw/zinc/08/20/38/258082038.db2.gz GWSQWANRLOAFRK-ZYSHUDEJSA-N 1 1 335.444 2.732 50 0 EFAAMO Cc1ccc(CN(C(=O)[C@H]2[NH2+]CCc3nc[nH]c32)C2CCCC2)s1 ZINC000072480671 292097463 /nfs/dbraw/zinc/09/74/63/292097463.db2.gz HGYPGEDLGHQAHU-KRWDZBQOSA-N 1 1 344.484 2.938 50 0 EFAAMO C[C@H]1CC(C)(C)N(C(=O)CN2CC[NH+](C)CC2)c2ccc(F)cc21 ZINC000169681439 226555556 /nfs/dbraw/zinc/55/55/56/226555556.db2.gz MOZJOLXCYXDQSY-AWEZNQCLSA-N 1 1 333.451 2.692 50 0 EFAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000012319116 544425183 /nfs/dbraw/zinc/42/51/83/544425183.db2.gz VXPQGMPRZQWGQN-LJQANCHMSA-N 1 1 347.422 2.870 50 0 EFAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000012319116 544425186 /nfs/dbraw/zinc/42/51/86/544425186.db2.gz VXPQGMPRZQWGQN-LJQANCHMSA-N 1 1 347.422 2.870 50 0 EFAAMO COCC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000096000152 544558613 /nfs/dbraw/zinc/55/86/13/544558613.db2.gz OTDMAYVQQBKCLX-OAHLLOKOSA-N 1 1 334.464 2.754 50 0 EFAAMO CCC[N@H+]1CCC=C([C@H]2c3nc[nH]c3CCN2C(=O)c2ccco2)C1 ZINC000067675862 276005129 /nfs/dbraw/zinc/00/51/29/276005129.db2.gz GMNYWDIEZMAXRV-SFHVURJKSA-N 1 1 340.427 2.784 50 0 EFAAMO CCC[N@@H+]1CCC=C([C@H]2c3[nH]cnc3CCN2C(=O)c2ccco2)C1 ZINC000067675862 276005130 /nfs/dbraw/zinc/00/51/30/276005130.db2.gz GMNYWDIEZMAXRV-SFHVURJKSA-N 1 1 340.427 2.784 50 0 EFAAMO CCC[N@H+]1CCC=C([C@H]2c3[nH]cnc3CCN2C(=O)c2ccco2)C1 ZINC000067675862 276005131 /nfs/dbraw/zinc/00/51/31/276005131.db2.gz GMNYWDIEZMAXRV-SFHVURJKSA-N 1 1 340.427 2.784 50 0 EFAAMO CC[N@@H+](C)C1(CNC(=O)c2cc(C(F)(F)F)n[nH]2)CCCCC1 ZINC000097272459 276069028 /nfs/dbraw/zinc/06/90/28/276069028.db2.gz REVNKRYYFUKTLX-UHFFFAOYSA-N 1 1 332.370 2.813 50 0 EFAAMO CC[N@@H+]1CCc2ncnc(N3C[C@@H](C)O[C@@H](c4ccccc4)C3)c2C1 ZINC000222193114 276237920 /nfs/dbraw/zinc/23/79/20/276237920.db2.gz ODZIACOMQMCTPF-DNVCBOLYSA-N 1 1 338.455 2.821 50 0 EFAAMO CC[N@H+]1CCc2ncnc(N3C[C@@H](C)O[C@@H](c4ccccc4)C3)c2C1 ZINC000222193114 276237923 /nfs/dbraw/zinc/23/79/23/276237923.db2.gz ODZIACOMQMCTPF-DNVCBOLYSA-N 1 1 338.455 2.821 50 0 EFAAMO C[NH+]1CCN(C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)CC1 ZINC000072478649 276918335 /nfs/dbraw/zinc/91/83/35/276918335.db2.gz PEGGHEIQNWLEFN-KRWDZBQOSA-N 1 1 331.460 2.547 50 0 EFAAMO CN1CCC[C@@]2(CC[N@@H+](Cc3c[nH]nc3C3CCCCC3)C2)C1=O ZINC000092028692 277072232 /nfs/dbraw/zinc/07/22/32/277072232.db2.gz ASIQNWSEMQAWKR-IBGZPJMESA-N 1 1 330.476 2.902 50 0 EFAAMO COc1c(C)cnc(C[N@H+]2CCCC[C@H]2CCN2CCOCC2)c1C ZINC000072428336 277362655 /nfs/dbraw/zinc/36/26/55/277362655.db2.gz DLEWWOLYQCWTGB-SFHVURJKSA-N 1 1 347.503 2.784 50 0 EFAAMO Cc1[nH]nc(CCC(=O)NC[C@@H](c2ccccc2C)[NH+](C)C)c1C ZINC000097155620 280191502 /nfs/dbraw/zinc/19/15/02/280191502.db2.gz BGOREGAQHFERRR-SFHVURJKSA-N 1 1 328.460 2.687 50 0 EFAAMO Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CCCC3)C2)n1 ZINC000065575955 281246238 /nfs/dbraw/zinc/24/62/38/281246238.db2.gz ABXUUVIMEUTFIT-HOTGVXAUSA-N 1 1 330.476 2.571 50 0 EFAAMO Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC3CCCC3)C2)n1 ZINC000065575955 281246239 /nfs/dbraw/zinc/24/62/39/281246239.db2.gz ABXUUVIMEUTFIT-HOTGVXAUSA-N 1 1 330.476 2.571 50 0 EFAAMO C[NH+](C)CC(=O)N1c2ccccc2CCc2ccc(NC(N)=O)cc21 ZINC000003683822 289075564 /nfs/dbraw/zinc/07/55/64/289075564.db2.gz FLEPBVQWQYFDIT-UHFFFAOYSA-N 1 1 338.411 2.502 50 0 biogenic EFAAMO C[C@H](C1CCN(Cc2cnc(N3CCCCC3)nc2)CC1)[NH+](C)C ZINC000077287499 289408862 /nfs/dbraw/zinc/40/88/62/289408862.db2.gz DXVWIFIDXVBJRO-MRXNPFEDSA-N 1 1 331.508 2.629 50 0 EFAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(CCC(C)(C)O)cc1)C2 ZINC000072421496 290317420 /nfs/dbraw/zinc/31/74/20/290317420.db2.gz FGBATIXWORBPSU-ZWKOTPCHSA-N 1 1 330.472 2.699 50 0 EFAAMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ncc3cc(Cl)ccn32)C1 ZINC000568777894 319318423 /nfs/dbraw/zinc/31/84/23/319318423.db2.gz KLCKUAOLOZNATJ-CQSZACIVSA-N 1 1 346.862 2.792 50 0 EFAAMO Nc1cc(N2CCC[C@](CO)(CCCc3ccccc3)C2)nc[nH+]1 ZINC000071315686 472548941 /nfs/dbraw/zinc/54/89/41/472548941.db2.gz ZOTMPAOQJWQQTF-LJQANCHMSA-N 1 1 326.444 2.661 50 0 EFAAMO CC(C)C[C@H]1C[N@H+](Cc2ccc(S(C)(=O)=O)cc2)CC[C@@]1(C)O ZINC000071315240 472549187 /nfs/dbraw/zinc/54/91/87/472549187.db2.gz ZVHSTJKPOCWHBT-FUHWJXTLSA-N 1 1 339.501 2.709 50 0 EFAAMO CC(C)C[C@H]1C[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)CC[C@@]1(C)O ZINC000071315240 472549191 /nfs/dbraw/zinc/54/91/91/472549191.db2.gz ZVHSTJKPOCWHBT-FUHWJXTLSA-N 1 1 339.501 2.709 50 0 EFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCn1ccc2cc(OC)ccc21 ZINC000095477798 473212602 /nfs/dbraw/zinc/21/26/02/473212602.db2.gz XYOWUVSLWNQFOU-MRXNPFEDSA-N 1 1 329.444 2.641 50 0 EFAAMO CC(C)[N@H+]1CCC[C@H](C(=O)NCCc2noc(-c3ccccc3)n2)C1 ZINC000095497609 473213358 /nfs/dbraw/zinc/21/33/58/473213358.db2.gz CZNQIMLPUWREEY-INIZCTEOSA-N 1 1 342.443 2.516 50 0 EFAAMO CO[C@H]1CCN(c2cc(N)[nH+]c(SCc3ccc(C)cc3)n2)C1 ZINC000095503313 473214168 /nfs/dbraw/zinc/21/41/68/473214168.db2.gz YSWUKNZLVXTINP-AWEZNQCLSA-N 1 1 330.457 2.885 50 0 EFAAMO CO[C@H]1CCN(c2cc(N)nc(SCc3ccc(C)cc3)[nH+]2)C1 ZINC000095503313 473214173 /nfs/dbraw/zinc/21/41/73/473214173.db2.gz YSWUKNZLVXTINP-AWEZNQCLSA-N 1 1 330.457 2.885 50 0 EFAAMO Cc1nn(C)c2nc(NCC[N@@H+](C)CCc3ccccc3)sc12 ZINC000095500122 473214213 /nfs/dbraw/zinc/21/42/13/473214213.db2.gz FRLZCJKIJXVFIE-UHFFFAOYSA-N 1 1 329.473 2.925 50 0 EFAAMO O=C(NCCC[NH+]1CCOCC1)Nc1cccc(-c2ccco2)c1 ZINC000095501460 473214721 /nfs/dbraw/zinc/21/47/21/473214721.db2.gz QSEDZGVVQPSZQX-UHFFFAOYSA-N 1 1 329.400 2.790 50 0 EFAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(c1cnc3ccccc3n1)CC2 ZINC000095502497 473215106 /nfs/dbraw/zinc/21/51/06/473215106.db2.gz RMPHMLJSZSVKOD-UHFFFAOYSA-N 1 1 348.454 2.727 50 0 EFAAMO Cc1noc(-c2ccc(N(C)C[C@H]3Cc4ccccc4C[N@H+]3C)nc2)n1 ZINC000095507543 473215336 /nfs/dbraw/zinc/21/53/36/473215336.db2.gz FXVOXYLAKXWNHI-GOSISDBHSA-N 1 1 349.438 2.933 50 0 EFAAMO CC(C)Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccco3)C2)no1 ZINC000095528330 473220681 /nfs/dbraw/zinc/22/06/81/473220681.db2.gz SOKMTUUSIVJYMK-OAHLLOKOSA-N 1 1 345.443 2.995 50 0 EFAAMO Cc1ccc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)nn1 ZINC000095509627 473216604 /nfs/dbraw/zinc/21/66/04/473216604.db2.gz ZCUWRIGCMNFOEQ-QGZVFWFLSA-N 1 1 334.427 2.809 50 0 EFAAMO CCCCc1ncc(C[N@H+]2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)[nH]1 ZINC000095511691 473217205 /nfs/dbraw/zinc/21/72/05/473217205.db2.gz QMODDNSJGQFSRV-YLJYHZDGSA-N 1 1 341.455 2.723 50 0 EFAAMO CCCCc1nc(C[N@@H+]2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)c[nH]1 ZINC000095511691 473217216 /nfs/dbraw/zinc/21/72/16/473217216.db2.gz QMODDNSJGQFSRV-YLJYHZDGSA-N 1 1 341.455 2.723 50 0 EFAAMO CCCCc1nc(C[N@H+]2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)c[nH]1 ZINC000095511691 473217221 /nfs/dbraw/zinc/21/72/21/473217221.db2.gz QMODDNSJGQFSRV-YLJYHZDGSA-N 1 1 341.455 2.723 50 0 EFAAMO OC[C@@]12C[N@@H+](CCOCc3ccccc3)C[C@@H]1c1ccccc1OC2 ZINC000095520085 473219403 /nfs/dbraw/zinc/21/94/03/473219403.db2.gz GZUCLQSNLMPERW-TZIWHRDSSA-N 1 1 339.435 2.674 50 0 EFAAMO Cc1nc2cc(CNC(=O)[C@H]3CCC[N@H+](C(C)C)C3)ccc2n1C ZINC000095523951 473219702 /nfs/dbraw/zinc/21/97/02/473219702.db2.gz OGWIHIISOWGMIB-INIZCTEOSA-N 1 1 328.460 2.618 50 0 EFAAMO CC(C)Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccco3)C2)no1 ZINC000095528331 473220984 /nfs/dbraw/zinc/22/09/84/473220984.db2.gz SOKMTUUSIVJYMK-HNNXBMFYSA-N 1 1 345.443 2.995 50 0 EFAAMO C[N@H+]1CCCN(C(=O)Nc2ccnn2Cc2ccccc2Cl)CC1 ZINC000095527221 473221449 /nfs/dbraw/zinc/22/14/49/473221449.db2.gz DMHMEDVLSCHIJQ-UHFFFAOYSA-N 1 1 347.850 2.754 50 0 EFAAMO Cc1ccnc(N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)n1 ZINC000095530936 473222752 /nfs/dbraw/zinc/22/27/52/473222752.db2.gz UTIMRYIUDAFTND-CQSZACIVSA-N 1 1 340.456 2.870 50 0 EFAAMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)c(F)c1 ZINC000082098195 473287939 /nfs/dbraw/zinc/28/79/39/473287939.db2.gz HVNIDWUXHHQUHF-HXUWFJFHSA-N 1 1 348.462 2.721 50 0 EFAAMO CC(C)c1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)no1 ZINC000082099924 473289900 /nfs/dbraw/zinc/28/99/00/473289900.db2.gz SUWOMVOQZDRECG-HOTGVXAUSA-N 1 1 325.412 2.897 50 0 EFAAMO CC(C)c1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)no1 ZINC000082099924 473289908 /nfs/dbraw/zinc/28/99/08/473289908.db2.gz SUWOMVOQZDRECG-HOTGVXAUSA-N 1 1 325.412 2.897 50 0 EFAAMO O=C(NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2)C1CCC1 ZINC000082106597 473288487 /nfs/dbraw/zinc/28/84/87/473288487.db2.gz IMCGYTVDVFRATE-UHFFFAOYSA-N 1 1 330.476 2.838 50 0 EFAAMO CSCc1ccc(N2CC[NH+](Cc3ncccc3C)CC2)nc1 ZINC000082109734 473291033 /nfs/dbraw/zinc/29/10/33/473291033.db2.gz FZQUJZPGCPWSQR-UHFFFAOYSA-N 1 1 328.485 2.970 50 0 EFAAMO CSc1ccc(CC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000082125517 473293500 /nfs/dbraw/zinc/29/35/00/473293500.db2.gz UIRODIDCMCCBMK-KRWDZBQOSA-N 1 1 348.512 2.664 50 0 EFAAMO CCC[N@H+]1CCCn2nc(CNC(=O)Nc3ccccc3F)cc2C1 ZINC000082137568 473294143 /nfs/dbraw/zinc/29/41/43/473294143.db2.gz NKNXHRFUZAMDCM-UHFFFAOYSA-N 1 1 345.422 2.960 50 0 EFAAMO CC(C)c1cc(C(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)no1 ZINC000082138552 473295382 /nfs/dbraw/zinc/29/53/82/473295382.db2.gz ROHUMWVEKXOJSF-UHFFFAOYSA-N 1 1 339.439 2.723 50 0 EFAAMO CCn1c(C)cc(C)c(C(=O)N2CCC[N@H+](C3CCCC3)CC2)c1=O ZINC000082170840 473296892 /nfs/dbraw/zinc/29/68/92/473296892.db2.gz VLCYKDAMRQMIDY-UHFFFAOYSA-N 1 1 345.487 2.576 50 0 EFAAMO O=C(NCc1cc2n(n1)CCC[N@@H+](CC1CCCC1)C2)C1CCC1 ZINC000082167343 473297762 /nfs/dbraw/zinc/29/77/62/473297762.db2.gz GJYOVUGIWSZUQJ-UHFFFAOYSA-N 1 1 330.476 2.695 50 0 EFAAMO COCC1(C(=O)N2CCC[N@H+](C3Cc4ccccc4C3)CC2)CCC1 ZINC000082161567 473297888 /nfs/dbraw/zinc/29/78/88/473297888.db2.gz DKPISCJWBNGPED-UHFFFAOYSA-N 1 1 342.483 2.505 50 0 EFAAMO O=C([C@H](c1ccc(F)cc1)[NH+]1CCCCC1)N1CCc2[nH]cnc2C1 ZINC000096132482 473309124 /nfs/dbraw/zinc/30/91/24/473309124.db2.gz CCMVAFRWQJKCRS-SFHVURJKSA-N 1 1 342.418 2.661 50 0 EFAAMO C[N@H+]1CCC[C@H](CCc2nc(-c3ccc(Cl)cc3)nn2CCO)C1 ZINC000096139906 473312333 /nfs/dbraw/zinc/31/23/33/473312333.db2.gz IHZGRQTUGVCIGM-CQSZACIVSA-N 1 1 348.878 2.865 50 0 EFAAMO COCc1ccc(C(=O)NCC[N@H+]2CC[C@@H](c3ccccc3C)C2)o1 ZINC000096141028 473312369 /nfs/dbraw/zinc/31/23/69/473312369.db2.gz SUTPZEVAXGGMDB-MRXNPFEDSA-N 1 1 342.439 2.954 50 0 EFAAMO Cc1nn(C)c2nc(N[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)sc12 ZINC000096142212 473312469 /nfs/dbraw/zinc/31/24/69/473312469.db2.gz GKZIJJMBNYEGAS-CQSZACIVSA-N 1 1 342.472 2.810 50 0 EFAAMO COCc1ccc(C(=O)NCC[N@H+]2CC[C@H](c3ccccc3C)C2)o1 ZINC000096141029 473312523 /nfs/dbraw/zinc/31/25/23/473312523.db2.gz SUTPZEVAXGGMDB-INIZCTEOSA-N 1 1 342.439 2.954 50 0 EFAAMO Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)Cc2cscn2)C1 ZINC000096141214 473312545 /nfs/dbraw/zinc/31/25/45/473312545.db2.gz AGPYFDIYFHXPHH-OAHLLOKOSA-N 1 1 329.469 2.632 50 0 EFAAMO Cc1nc(C(=O)NCC[N@H+]2CC[C@H](c3ccccc3C)C2)cs1 ZINC000096150482 473314541 /nfs/dbraw/zinc/31/45/41/473314541.db2.gz RPLOGVQSXOWENG-HNNXBMFYSA-N 1 1 329.469 2.979 50 0 EFAAMO O=C(NCCC[N@@H+]1CCCC[C@H]1CO)Nc1ccc(F)cc1Cl ZINC000096160516 473319855 /nfs/dbraw/zinc/31/98/55/473319855.db2.gz HKBIVNKBFZIRGW-ZDUSSCGKSA-N 1 1 343.830 2.838 50 0 EFAAMO O=C([O-])[C@]12C[NH+](Cc3cccc(Cl)c3)C[C@H]1C[N@@H+](CC1CCC1)C2 ZINC000096148929 473315125 /nfs/dbraw/zinc/31/51/25/473315125.db2.gz XDPBIOCRJDRBMF-VQIMIIECSA-N 1 1 348.874 2.959 50 0 EFAAMO O=C([O-])[C@]12C[NH+](Cc3cccc(Cl)c3)C[C@H]1C[N@H+](CC1CCC1)C2 ZINC000096148929 473315130 /nfs/dbraw/zinc/31/51/30/473315130.db2.gz XDPBIOCRJDRBMF-VQIMIIECSA-N 1 1 348.874 2.959 50 0 EFAAMO O=C([O-])[C@@]12C[NH+](CC3CCC3)C[C@@H]1C[N@H+](Cc1cccc(Cl)c1)C2 ZINC000096148929 473315134 /nfs/dbraw/zinc/31/51/34/473315134.db2.gz XDPBIOCRJDRBMF-VQIMIIECSA-N 1 1 348.874 2.959 50 0 EFAAMO O=C([O-])[C@@]12C[NH+](CC3CCC3)C[C@@H]1C[N@@H+](Cc1cccc(Cl)c1)C2 ZINC000096148929 473315140 /nfs/dbraw/zinc/31/51/40/473315140.db2.gz XDPBIOCRJDRBMF-VQIMIIECSA-N 1 1 348.874 2.959 50 0 EFAAMO O=C(Nc1ccc(F)nc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000096153286 473316619 /nfs/dbraw/zinc/31/66/19/473316619.db2.gz KLHGQODASFIXCJ-UHFFFAOYSA-N 1 1 328.391 2.613 50 0 EFAAMO COc1ccc(C)c(NC(=O)N2CC[N@@H+](CC(C)C)[C@H](CCO)C2)c1 ZINC000096166372 473321390 /nfs/dbraw/zinc/32/13/90/473321390.db2.gz OCAQEBFIDCRUSZ-MRXNPFEDSA-N 1 1 349.475 2.560 50 0 EFAAMO C[NH+](C)[C@H](CNC(=O)Nc1ccc2c(c1)CCC2=O)c1ccco1 ZINC000096179553 473322939 /nfs/dbraw/zinc/32/29/39/473322939.db2.gz DSLSJUCPDKSZPH-OAHLLOKOSA-N 1 1 327.384 2.833 50 0 EFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(C)ccc2C)C1 ZINC000000176321 471331691 /nfs/dbraw/zinc/33/16/91/471331691.db2.gz NIGJPTCHWRQBHJ-MRXNPFEDSA-N 1 1 332.444 2.907 50 0 EFAAMO [NH2+]=C1NC(O)=C[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)S1 ZINC000000190924 471332792 /nfs/dbraw/zinc/33/27/92/471332792.db2.gz WGTSZRDINPSISG-CQSZACIVSA-N 1 1 325.393 2.639 50 0 EFAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000000207310 471334251 /nfs/dbraw/zinc/33/42/51/471334251.db2.gz ABYZJNSBCBPJEZ-MRXNPFEDSA-N 1 1 334.460 2.784 50 0 EFAAMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c(OC)c1 ZINC000000212293 471336182 /nfs/dbraw/zinc/33/61/82/471336182.db2.gz FFOXUMWZCBRROC-KRWDZBQOSA-N 1 1 346.471 2.928 50 0 EFAAMO CCOc1cc(C[N@H+]2CCC[C@H](C(=O)N(CC)CC)C2)ccc1O ZINC000000241758 471339054 /nfs/dbraw/zinc/33/90/54/471339054.db2.gz GZXYHQSQVWGXEB-INIZCTEOSA-N 1 1 334.460 2.871 50 0 EFAAMO CC[NH+]1CCN(C(=S)Nc2ccc(Br)cc2)CC1 ZINC000000473125 471364629 /nfs/dbraw/zinc/36/46/29/471364629.db2.gz CSEMSYCSCZQKCG-UHFFFAOYSA-N 1 1 328.279 2.783 50 0 EFAAMO C[NH+](C)CC[C@H]1c2ccccc2[C@H](O)c2ccccc2S1(=O)=O ZINC000002015000 471400096 /nfs/dbraw/zinc/40/00/96/471400096.db2.gz DKQATDQETUTSSG-ROUUACIJSA-N 1 1 331.437 2.548 50 0 EFAAMO C[NH+](C)CC[C@H]1c2ccccc2[C@@H](O)c2ccccc2S1(=O)=O ZINC000002014998 471400623 /nfs/dbraw/zinc/40/06/23/471400623.db2.gz DKQATDQETUTSSG-ZWKOTPCHSA-N 1 1 331.437 2.548 50 0 EFAAMO CCOc1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)ccc1OC(F)F ZINC000002791802 471421297 /nfs/dbraw/zinc/42/12/97/471421297.db2.gz RVIPJAUWBFRLFG-ZDUSSCGKSA-N 1 1 340.370 2.607 50 0 EFAAMO COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000005253728 471495321 /nfs/dbraw/zinc/49/53/21/471495321.db2.gz XFBBRDRLWNQMNT-ZDUSSCGKSA-N 1 1 343.427 2.933 50 0 EFAAMO C[NH+]1CCN(C(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000006728757 471563307 /nfs/dbraw/zinc/56/33/07/471563307.db2.gz IKEOJEQDFWGLBD-UHFFFAOYSA-N 1 1 332.629 2.882 50 0 EFAAMO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1[nH]nc2c1CCCC2 ZINC000008744204 471704071 /nfs/dbraw/zinc/70/40/71/471704071.db2.gz UBEBKEVRRBJCPY-UHFFFAOYSA-N 1 1 338.455 2.683 50 0 EFAAMO CN(C[C@@H]1CCCC[N@H+]1C)C(=O)c1coc(COc2ccccc2)n1 ZINC000012595746 471785390 /nfs/dbraw/zinc/78/53/90/471785390.db2.gz HWHNOUXNKOICIC-HNNXBMFYSA-N 1 1 343.427 2.810 50 0 EFAAMO CN1CCC([N@H+]2CCC[C@@H](C(=O)NCCC3=CCCCC3)C2)CC1 ZINC000012705066 471790768 /nfs/dbraw/zinc/79/07/68/471790768.db2.gz UAIKJJVJIHFDTH-GOSISDBHSA-N 1 1 333.520 2.799 50 0 EFAAMO C[NH+](C)Cc1ccc(C(=O)N2CCO[C@H](Cc3cccc(F)c3)C2)o1 ZINC000012707423 471790862 /nfs/dbraw/zinc/79/08/62/471790862.db2.gz XMTAHQPWIVSGCS-QGZVFWFLSA-N 1 1 346.402 2.564 50 0 EFAAMO CCc1cc(C(=O)N[C@H]2CCC[N@@H+](CCc3ccccc3)C2)on1 ZINC000012715279 471791654 /nfs/dbraw/zinc/79/16/54/471791654.db2.gz CYOLIFBSENDFRB-KRWDZBQOSA-N 1 1 327.428 2.674 50 0 EFAAMO O=C(CCc1cnccn1)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012757360 471793923 /nfs/dbraw/zinc/79/39/23/471793923.db2.gz SUCWAFKEXYJEMC-KRWDZBQOSA-N 1 1 330.476 2.713 50 0 EFAAMO CC[NH+](CC)CCSc1nc(O)c(C2CCCCC2)c(=O)[nH]1 ZINC000013381866 471828103 /nfs/dbraw/zinc/82/81/03/471828103.db2.gz RYIUDKPWUYLYNX-UHFFFAOYSA-N 1 1 325.478 2.957 50 0 EFAAMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1ccc(F)cc1 ZINC000013670437 471836933 /nfs/dbraw/zinc/83/69/33/471836933.db2.gz YEPBZVTUARYKSG-QGZVFWFLSA-N 1 1 342.480 2.900 50 0 EFAAMO COC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CCC[C@@H](C)C1)CCC2 ZINC000014193686 471860079 /nfs/dbraw/zinc/86/00/79/471860079.db2.gz WIFPAIPAOSOCDO-LLVKDONJSA-N 1 1 336.457 2.694 50 0 EFAAMO COC(=O)c1c2c(sc1NC(=O)C[N@H+]1CCC[C@@H](C)C1)CCC2 ZINC000014193686 471860082 /nfs/dbraw/zinc/86/00/82/471860082.db2.gz WIFPAIPAOSOCDO-LLVKDONJSA-N 1 1 336.457 2.694 50 0 EFAAMO COC(=O)[C@@H]1CC2(CCN(Cc3ccccc3)CC2)[N@H+]2CCC[C@@H]12 ZINC000014944195 471883005 /nfs/dbraw/zinc/88/30/05/471883005.db2.gz VEWGPGAAIZSOKU-MSOLQXFVSA-N 1 1 328.456 2.679 50 0 EFAAMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000015064135 471887849 /nfs/dbraw/zinc/88/78/49/471887849.db2.gz QABXXTNAPXVBCE-FQEVSTJZSA-N 1 1 341.455 2.808 50 0 EFAAMO CN1CCC([N@@H+]2CCC[C@H](NC(=O)/C(F)=C/c3ccccc3)C2)CC1 ZINC000015075477 471888855 /nfs/dbraw/zinc/88/88/55/471888855.db2.gz LVGYOBHBGKISPP-FJSNCCPHSA-N 1 1 345.462 2.672 50 0 EFAAMO CN1CCC([N@H+]2CCC[C@H](NC(=O)/C(F)=C/c3ccccc3)C2)CC1 ZINC000015075477 471888859 /nfs/dbraw/zinc/88/88/59/471888859.db2.gz LVGYOBHBGKISPP-FJSNCCPHSA-N 1 1 345.462 2.672 50 0 EFAAMO CC[NH+]1CCC(N[C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)CC1 ZINC000015077865 471889347 /nfs/dbraw/zinc/88/93/47/471889347.db2.gz DCSPKNSTSMPOQD-GOSISDBHSA-N 1 1 349.906 2.557 50 0 EFAAMO Cc1ccc2c(C[NH+]3CCN(c4ccccn4)CC3)cc(=O)oc2c1 ZINC000020407898 471989256 /nfs/dbraw/zinc/98/92/56/471989256.db2.gz NXXYZKDBHHYSAJ-UHFFFAOYSA-N 1 1 335.407 2.819 50 0 EFAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+](C)CC4OCCO4)[C@H]3C=C12 ZINC000020609763 471992241 /nfs/dbraw/zinc/99/22/41/471992241.db2.gz QITIRYHLULOZRG-LNQWNYPOSA-N 1 1 349.471 2.605 50 0 biogenic EFAAMO C[NH+]1CCN(c2ccc(-c3ccc(Br)cc3)nn2)CC1 ZINC000020737576 471992506 /nfs/dbraw/zinc/99/25/06/471992506.db2.gz WYZHGFCVQSECOB-UHFFFAOYSA-N 1 1 333.233 2.658 50 0 EFAAMO CC(=O)Nc1ccc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000035090990 471993674 /nfs/dbraw/zinc/99/36/74/471993674.db2.gz VKABGYBRCWCOAS-FUHWJXTLSA-N 1 1 329.444 2.639 50 0 biogenic EFAAMO Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000035107840 471994022 /nfs/dbraw/zinc/99/40/22/471994022.db2.gz WETNHZVOLPIATI-MAUKXSAKSA-N 1 1 339.487 2.699 50 0 biogenic EFAAMO Cc1ccc(-c2cc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)n[nH]2)cc1 ZINC000022309476 472012981 /nfs/dbraw/zinc/01/29/81/472012981.db2.gz MVLLCUAHYJDCNE-UHFFFAOYSA-N 1 1 347.422 2.743 50 0 EFAAMO Fc1ccc(N2CCN([C@H]3CCC[N@H+](C4CCOCC4)C3)CC2)cc1 ZINC000023374373 472031407 /nfs/dbraw/zinc/03/14/07/472031407.db2.gz UQHRVFCISPEFIT-FQEVSTJZSA-N 1 1 347.478 2.591 50 0 EFAAMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(N3CCCCC3)nc2)C1 ZINC000067587168 472053470 /nfs/dbraw/zinc/05/34/70/472053470.db2.gz KZZAIWWBZCFGAZ-QGZVFWFLSA-N 1 1 344.503 2.780 50 0 EFAAMO COCc1ncc(C[N@@H+]2CCN(c3ccccc3C)C[C@H]2C)cn1 ZINC000067642456 472064409 /nfs/dbraw/zinc/06/44/09/472064409.db2.gz XXQCZDQZKALMQA-MRXNPFEDSA-N 1 1 326.444 2.642 50 0 EFAAMO COCc1ncc(C[N@H+]2CCN(c3ccccc3C)C[C@H]2C)cn1 ZINC000067642456 472064412 /nfs/dbraw/zinc/06/44/12/472064412.db2.gz XXQCZDQZKALMQA-MRXNPFEDSA-N 1 1 326.444 2.642 50 0 EFAAMO Nc1cc(NCc2cccnc2N2CCc3ccccc3C2)nc[nH+]1 ZINC000067742245 472082704 /nfs/dbraw/zinc/08/27/04/472082704.db2.gz SQVKOXRXSXXAIG-UHFFFAOYSA-N 1 1 332.411 2.629 50 0 EFAAMO Cc1cc(C(=O)Nc2cccc(O[C@@]34CC[N@@H+](C3)CCC4)c2)no1 ZINC000067774343 472088627 /nfs/dbraw/zinc/08/86/27/472088627.db2.gz XSKGGVDOIJXAOY-SFHVURJKSA-N 1 1 327.384 2.852 50 0 EFAAMO Nc1cc[nH+]c(N2CCC(c3n[nH]cc3Cc3ccccc3)CC2)n1 ZINC000067774823 472088645 /nfs/dbraw/zinc/08/86/45/472088645.db2.gz RCCNSFMMENVZJK-UHFFFAOYSA-N 1 1 334.427 2.757 50 0 EFAAMO CN(C)c1cc[nH+]c(N2CCC[C@@](CO)(Cc3ccccc3F)C2)n1 ZINC000067885382 472104129 /nfs/dbraw/zinc/10/41/29/472104129.db2.gz YKGUSDPKLWSJBJ-LJQANCHMSA-N 1 1 344.434 2.503 50 0 EFAAMO CCC[N@H+]1CC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000027520809 472179307 /nfs/dbraw/zinc/17/93/07/472179307.db2.gz KBYRJQLFUMUNLE-IBGZPJMESA-N 1 1 339.435 2.950 50 0 EFAAMO CC(C)c1cc(CN2CC[N@H+](C3CCCCC3)[C@H](CCO)C2)[nH]n1 ZINC000042995739 472187601 /nfs/dbraw/zinc/18/76/01/472187601.db2.gz FGANKNDRFDJEHC-GOSISDBHSA-N 1 1 334.508 2.734 50 0 EFAAMO CC(C)c1cc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)n[nH]1 ZINC000042995739 472187607 /nfs/dbraw/zinc/18/76/07/472187607.db2.gz FGANKNDRFDJEHC-GOSISDBHSA-N 1 1 334.508 2.734 50 0 EFAAMO CC(C)c1cc(CN2CC[N@H+](C3CCCCC3)[C@H](CCO)C2)n[nH]1 ZINC000042995739 472187613 /nfs/dbraw/zinc/18/76/13/472187613.db2.gz FGANKNDRFDJEHC-GOSISDBHSA-N 1 1 334.508 2.734 50 0 EFAAMO CCN1CC[NH+](C2(CNC(=O)c3cccs3)CCCCC2)CC1 ZINC000028403225 472224251 /nfs/dbraw/zinc/22/42/51/472224251.db2.gz CLQRVUASLQFVGE-UHFFFAOYSA-N 1 1 335.517 2.818 50 0 EFAAMO O=C(Cc1ccc2c(c1)OCC2)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000085880006 472269576 /nfs/dbraw/zinc/26/95/76/472269576.db2.gz YTQCPXRATSNDFS-ZWKOTPCHSA-N 1 1 328.456 2.545 50 0 biogenic EFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cc1csc(-c2ccccc2)n1 ZINC000044571156 472318099 /nfs/dbraw/zinc/31/80/99/472318099.db2.gz AZOMOOWMZYDWME-INIZCTEOSA-N 1 1 329.469 2.953 50 0 EFAAMO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000069743796 472418221 /nfs/dbraw/zinc/41/82/21/472418221.db2.gz WNIHAFRVTXASBN-BBRMVZONSA-N 1 1 344.459 2.571 50 0 EFAAMO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000069743799 472418341 /nfs/dbraw/zinc/41/83/41/472418341.db2.gz WNIHAFRVTXASBN-CJNGLKHVSA-N 1 1 344.459 2.571 50 0 EFAAMO Cc1ccc(NC[C@H]2CC[N@H+](Cc3nnc(-c4ccco4)o3)C2)nc1 ZINC000097200752 472477726 /nfs/dbraw/zinc/47/77/26/472477726.db2.gz WBOACOCSIPLWOZ-CQSZACIVSA-N 1 1 339.399 2.967 50 0 EFAAMO Cc1ccc(NC[C@H]2CC[N@@H+](Cc3nnc(-c4ccco4)o3)C2)nc1 ZINC000097200752 472477734 /nfs/dbraw/zinc/47/77/34/472477734.db2.gz WBOACOCSIPLWOZ-CQSZACIVSA-N 1 1 339.399 2.967 50 0 EFAAMO Cc1cccc(NC[C@@H]2CC[N@@H+](CCC(=O)NC3CCCC3)C2)n1 ZINC000097200551 472478842 /nfs/dbraw/zinc/47/88/42/472478842.db2.gz HQWKBSZMRIXGFR-INIZCTEOSA-N 1 1 330.476 2.573 50 0 EFAAMO COc1ccccc1-n1cc(C[N@@H+](C)[C@@H](C)Cc2cnccn2)cn1 ZINC000097815321 472507621 /nfs/dbraw/zinc/50/76/21/472507621.db2.gz XUXMLVCICPENEC-HNNXBMFYSA-N 1 1 337.427 2.734 50 0 EFAAMO CCCCc1ccc(-n2cc(C[N@@H+]3CCOC[C@@H](CO)C3)cn2)cc1 ZINC000077344212 472508515 /nfs/dbraw/zinc/50/85/15/472508515.db2.gz JHSMGXVSCZTTJC-LJQANCHMSA-N 1 1 343.471 2.656 50 0 EFAAMO CCCCc1ccc(-n2cc(C[N@H+]3CCOC[C@@H](CO)C3)cn2)cc1 ZINC000077344212 472508519 /nfs/dbraw/zinc/50/85/19/472508519.db2.gz JHSMGXVSCZTTJC-LJQANCHMSA-N 1 1 343.471 2.656 50 0 EFAAMO CCCCc1ccc(-n2cc(C[N@@H+]3CCOC[C@H](CO)C3)cn2)cc1 ZINC000077344210 472509193 /nfs/dbraw/zinc/50/91/93/472509193.db2.gz JHSMGXVSCZTTJC-IBGZPJMESA-N 1 1 343.471 2.656 50 0 EFAAMO CCCCc1ccc(-n2cc(C[N@H+]3CCOC[C@H](CO)C3)cn2)cc1 ZINC000077344210 472509196 /nfs/dbraw/zinc/50/91/96/472509196.db2.gz JHSMGXVSCZTTJC-IBGZPJMESA-N 1 1 343.471 2.656 50 0 EFAAMO O=C1C[C@@]2(CC[N@@H+](Cc3cccc(Oc4ccccc4)c3)C2)C(=O)N1 ZINC000077357358 472511853 /nfs/dbraw/zinc/51/18/53/472511853.db2.gz JGCMYMVHJXYJLR-HXUWFJFHSA-N 1 1 336.391 2.718 50 0 EFAAMO CC(C)n1cc(C(=O)N(C)C[C@@H]2Cc3ccccc3C[N@H+]2C)cn1 ZINC000077375507 472515502 /nfs/dbraw/zinc/51/55/02/472515502.db2.gz FLYQLHYXFAUEQS-SFHVURJKSA-N 1 1 326.444 2.593 50 0 EFAAMO CCn1c(C[N@H+]2C[C@@H](C(C)C)[C@H](NC(C)=O)C2)nc2ccccc21 ZINC000077391130 472518489 /nfs/dbraw/zinc/51/84/89/472518489.db2.gz OLSNAQJQGZNHHS-DOTOQJQBSA-N 1 1 328.460 2.649 50 0 EFAAMO CCn1c(C[N@@H+]2C[C@@H](C(C)C)[C@H](NC(C)=O)C2)nc2ccccc21 ZINC000077391130 472518491 /nfs/dbraw/zinc/51/84/91/472518491.db2.gz OLSNAQJQGZNHHS-DOTOQJQBSA-N 1 1 328.460 2.649 50 0 EFAAMO CCc1[nH+]ccn1CCC(=O)N1CCN(c2ccccc2C)C[C@H]1C ZINC000077393426 472519825 /nfs/dbraw/zinc/51/98/25/472519825.db2.gz HYLGUGJPWOPEBB-QGZVFWFLSA-N 1 1 340.471 2.881 50 0 EFAAMO COc1ccc2[nH]nc(C(=O)N(C)C[C@@H]3CCC[N@H+](C(C)C)C3)c2c1 ZINC000077407416 472522651 /nfs/dbraw/zinc/52/26/51/472522651.db2.gz UBDBSAFTUJCCDM-AWEZNQCLSA-N 1 1 344.459 2.764 50 0 EFAAMO COc1ccc2n[nH]c(C(=O)N(C)C[C@@H]3CCC[N@@H+](C(C)C)C3)c2c1 ZINC000077407416 472522657 /nfs/dbraw/zinc/52/26/57/472522657.db2.gz UBDBSAFTUJCCDM-AWEZNQCLSA-N 1 1 344.459 2.764 50 0 EFAAMO COc1ccc2n[nH]c(C(=O)N(C)C[C@@H]3CCC[N@H+](C(C)C)C3)c2c1 ZINC000077407416 472522663 /nfs/dbraw/zinc/52/26/63/472522663.db2.gz UBDBSAFTUJCCDM-AWEZNQCLSA-N 1 1 344.459 2.764 50 0 EFAAMO CC[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)CC[N@H+]1C(C)C ZINC000077408333 472522784 /nfs/dbraw/zinc/52/27/84/472522784.db2.gz PMHIUVWLVKXZLE-QGZVFWFLSA-N 1 1 326.444 2.817 50 0 EFAAMO O=C(c1ccc2cc[nH]c2c1)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000077421152 472525379 /nfs/dbraw/zinc/52/53/79/472525379.db2.gz CIOUPMAIWHYGAS-UHFFFAOYSA-N 1 1 334.423 2.911 50 0 EFAAMO O=C(c1ccc2cc[nH]c2c1)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000077421152 472525382 /nfs/dbraw/zinc/52/53/82/472525382.db2.gz CIOUPMAIWHYGAS-UHFFFAOYSA-N 1 1 334.423 2.911 50 0 EFAAMO Cc1nc(C(=O)N2CCC[N@H+](C3Cc4ccccc4C3)CC2)cs1 ZINC000077436372 472526573 /nfs/dbraw/zinc/52/65/73/472526573.db2.gz KWXDVNXPEIWPEN-UHFFFAOYSA-N 1 1 341.480 2.767 50 0 EFAAMO CN(C)c1cccc(C(=O)N(C)C[C@H]2Cc3ccccc3C[N@H+]2C)c1 ZINC000077438480 472527104 /nfs/dbraw/zinc/52/71/04/472527104.db2.gz RWWPAVHWBNWUAP-HXUWFJFHSA-N 1 1 337.467 2.881 50 0 EFAAMO CCOC(=O)c1coc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000077440989 472527429 /nfs/dbraw/zinc/52/74/29/472527429.db2.gz HMYLKVYAVYRHLG-UHFFFAOYSA-N 1 1 347.390 2.703 50 0 EFAAMO Cc1nnsc1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000077471573 472532272 /nfs/dbraw/zinc/53/22/72/472532272.db2.gz XKBABLHFASZMOL-UHFFFAOYSA-N 1 1 344.484 2.627 50 0 EFAAMO Cc1nc(C(=O)N2CCC[N@H+](C3Cc4ccccc4C3)CC2)c(C)o1 ZINC000077485874 472535989 /nfs/dbraw/zinc/53/59/89/472535989.db2.gz VQGJRXQIENVUFX-UHFFFAOYSA-N 1 1 339.439 2.607 50 0 EFAAMO CC(C)c1nccc(C[N@H+]2CCCC[C@@H]2CCN2CCCC2=O)n1 ZINC000077520127 472545763 /nfs/dbraw/zinc/54/57/63/472545763.db2.gz YMBZROPEZRNYJO-QGZVFWFLSA-N 1 1 330.476 2.967 50 0 EFAAMO Cc1c(C[N@H+]2CC[C@H](CNC(=O)c3cnccn3)C2)[nH]c2ccccc12 ZINC000071278744 472546681 /nfs/dbraw/zinc/54/66/81/472546681.db2.gz XIKOEBJCSKBXKI-OAHLLOKOSA-N 1 1 349.438 2.518 50 0 EFAAMO Cn1ccnc1-c1ccccc1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000071278576 472546728 /nfs/dbraw/zinc/54/67/28/472546728.db2.gz NXFZOCZMXANLDI-OAHLLOKOSA-N 1 1 326.444 2.549 50 0 EFAAMO CC(C)c1nccc(C[N@H+]2CCC[C@H](CNC(=O)C3CCC3)C2)n1 ZINC000071315026 472547127 /nfs/dbraw/zinc/54/71/27/472547127.db2.gz ASRRFIOEMKXCIE-OAHLLOKOSA-N 1 1 330.476 2.728 50 0 EFAAMO C[C@@H]1Cc2cc(C[N@H+]3CCCN(C(=O)C4CCC4)CC3)ccc2O1 ZINC000071315183 472547730 /nfs/dbraw/zinc/54/77/30/472547730.db2.gz QWXBJKXPLBWIKD-OAHLLOKOSA-N 1 1 328.456 2.844 50 0 EFAAMO CCCC[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccccc1Cn1cccn1 ZINC000077535118 472548989 /nfs/dbraw/zinc/54/89/89/472548989.db2.gz NRTXBYYNSKUCMX-LJQANCHMSA-N 1 1 340.471 2.764 50 0 EFAAMO CCCC[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccccc1Cn1cccn1 ZINC000077535118 472548992 /nfs/dbraw/zinc/54/89/92/472548992.db2.gz NRTXBYYNSKUCMX-LJQANCHMSA-N 1 1 340.471 2.764 50 0 EFAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1ccc2nccnc2c1 ZINC000077541870 472551519 /nfs/dbraw/zinc/55/15/19/472551519.db2.gz CKDQNMKPUQAAAC-SFHVURJKSA-N 1 1 346.434 2.759 50 0 EFAAMO CCc1[nH+]ccn1CC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000071738487 472556833 /nfs/dbraw/zinc/55/68/33/472556833.db2.gz VJGBNWUTZMLFST-OAHLLOKOSA-N 1 1 333.819 2.699 50 0 EFAAMO 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/nfs/dbraw/zinc/19/31/79/473193179.db2.gz TUNVMKNYXWWWNQ-UKRRQHHQSA-N 1 1 348.516 2.884 50 0 EFAAMO CC(C)c1nnsc1C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)C1CCC1)C2 ZINC000095374270 473193184 /nfs/dbraw/zinc/19/31/84/473193184.db2.gz TUNVMKNYXWWWNQ-UKRRQHHQSA-N 1 1 348.516 2.884 50 0 EFAAMO CCNC(=O)CC[N@H+]1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000216345958 474140860 /nfs/dbraw/zinc/14/08/60/474140860.db2.gz MAGOHTCSJLHUAP-LJQANCHMSA-N 1 1 349.494 2.884 50 0 EFAAMO C[N@H+]1CCCN(CC(=O)N2CCCC[C@@H]2c2cccc(F)c2)CC1 ZINC000218935218 474146207 /nfs/dbraw/zinc/14/62/07/474146207.db2.gz LMDLZGZCYAQIKR-GOSISDBHSA-N 1 1 333.451 2.517 50 0 EFAAMO CCCn1nc(C)c(CNC(=O)[C@@H](c2cccc(F)c2)[NH+](C)C)c1C ZINC000220560147 474156296 /nfs/dbraw/zinc/15/62/96/474156296.db2.gz FEVYUFNKXTVMRR-GOSISDBHSA-N 1 1 346.450 2.968 50 0 EFAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)[C@H]1CCc2ccccc2O1 ZINC000220514605 474156360 /nfs/dbraw/zinc/15/63/60/474156360.db2.gz MKGHZPUXEFMQLZ-HXUWFJFHSA-N 1 1 336.435 2.555 50 0 EFAAMO C[N@H+]1CCC[C@@H](C(=O)NCCCc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000222228387 474165841 /nfs/dbraw/zinc/16/58/41/474165841.db2.gz PCRKHWPBVPDYPS-GFCCVEGCSA-N 1 1 334.851 2.607 50 0 EFAAMO C[N@@H+]1CCC[C@@H](C(=O)NCCCc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000222228387 474165845 /nfs/dbraw/zinc/16/58/45/474165845.db2.gz PCRKHWPBVPDYPS-GFCCVEGCSA-N 1 1 334.851 2.607 50 0 EFAAMO C[N@H+]1CCC[C@@H](C(=O)NCCCc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000222228387 474165855 /nfs/dbraw/zinc/16/58/55/474165855.db2.gz PCRKHWPBVPDYPS-GFCCVEGCSA-N 1 1 334.851 2.607 50 0 EFAAMO Cc1cc(OC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc(C)c1Cl ZINC000222324925 474167392 /nfs/dbraw/zinc/16/73/92/474167392.db2.gz QGQDKOATNVCHBW-SOUVJXGZSA-N 1 1 327.852 2.806 50 0 EFAAMO CCc1[nH+]ccn1CCC(=O)N[C@H](Cn1cccn1)c1ccccc1 ZINC000222311633 474168125 /nfs/dbraw/zinc/16/81/25/474168125.db2.gz BDTOREJAFTZYGR-QGZVFWFLSA-N 1 1 337.427 2.590 50 0 EFAAMO O=C(C[N@H+]1CC[C@@H](c2ccccc2)C1)N1CCC2(CCOCC2)CC1 ZINC000222698557 474172398 /nfs/dbraw/zinc/17/23/98/474172398.db2.gz ASTSLFCONZTWSC-LJQANCHMSA-N 1 1 342.483 2.895 50 0 EFAAMO Cc1ccc(C[N@H+](C)CC(=O)N2CCC[C@@H](Cn3ccnc3)C2)cc1 ZINC000222893504 474175660 /nfs/dbraw/zinc/17/56/60/474175660.db2.gz SQQVNTCTWJENPX-IBGZPJMESA-N 1 1 340.471 2.562 50 0 EFAAMO Cc1ccc(C[N@@H+](C)CC(=O)N2CCC[C@@H](Cn3ccnc3)C2)cc1 ZINC000222893504 474175668 /nfs/dbraw/zinc/17/56/68/474175668.db2.gz SQQVNTCTWJENPX-IBGZPJMESA-N 1 1 340.471 2.562 50 0 EFAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1ccc2nccn2c1 ZINC000222952225 474177133 /nfs/dbraw/zinc/17/71/33/474177133.db2.gz RMFAEPAUGSLSQA-QGZVFWFLSA-N 1 1 337.427 2.924 50 0 EFAAMO Cc1ccc(NC[C@H]2CCN([C@H](C)C(=O)Nc3nccs3)C2)[nH+]c1 ZINC000225218475 474206127 /nfs/dbraw/zinc/20/61/27/474206127.db2.gz NQDMLTKVSSMFJP-ZIAGYGMSSA-N 1 1 345.472 2.608 50 0 EFAAMO O=C([C@@H]1CCOC1)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000229328418 474252778 /nfs/dbraw/zinc/25/27/78/474252778.db2.gz IMIFBYPLOVBYMS-CEXWTWQISA-N 1 1 328.456 2.679 50 0 EFAAMO C[N@H+]1CCN2CC[NH+](CC(c3ccccc3)c3ccccc3)C[C@H]2C1 ZINC000248091204 474259812 /nfs/dbraw/zinc/25/98/12/474259812.db2.gz VJGQEVQPAUCVFP-OAQYLSRUSA-N 1 1 335.495 2.750 50 0 EFAAMO C[NH+]1CCN2CC[N@H+](CC(c3ccccc3)c3ccccc3)C[C@H]2C1 ZINC000248091204 474259814 /nfs/dbraw/zinc/25/98/14/474259814.db2.gz VJGQEVQPAUCVFP-OAQYLSRUSA-N 1 1 335.495 2.750 50 0 EFAAMO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000239425741 474545467 /nfs/dbraw/zinc/54/54/67/474545467.db2.gz VECLMGKGWXLRCE-RCFCFVIZSA-N 1 1 327.509 2.934 50 0 EFAAMO Cn1ncc2c1nc(C1CCCC1)nc2N1CC[N@H+]2CCCC[C@H]2C1 ZINC000240228130 474549781 /nfs/dbraw/zinc/54/97/81/474549781.db2.gz KGLPFFDZERDJFG-HNNXBMFYSA-N 1 1 340.475 2.695 50 0 EFAAMO C[C@H]1CCCC[N@H+]1C1CN(CCC(=O)NCc2cccc(Cl)c2)C1 ZINC000240500003 474550497 /nfs/dbraw/zinc/55/04/97/474550497.db2.gz NQLDGIFEYZNKGD-HNNXBMFYSA-N 1 1 349.906 2.905 50 0 EFAAMO CC[N@H+](Cc1cn2cccc(C)c2n1)C[C@@H](O)c1cccc(O)c1 ZINC000244734562 474566596 /nfs/dbraw/zinc/56/65/96/474566596.db2.gz NHZZKOPGNTUSMV-GOSISDBHSA-N 1 1 325.412 2.904 50 0 EFAAMO C[C@H](C(=O)Nc1nncs1)[N@H+](C)Cc1ccc2ncccc2c1 ZINC000244817210 474566763 /nfs/dbraw/zinc/56/67/63/474566763.db2.gz SWEMNZYTBDORKW-LLVKDONJSA-N 1 1 327.413 2.545 50 0 EFAAMO C[C@H](C(=O)Nc1nncs1)[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000244817210 474566768 /nfs/dbraw/zinc/56/67/68/474566768.db2.gz SWEMNZYTBDORKW-LLVKDONJSA-N 1 1 327.413 2.545 50 0 EFAAMO CCC1=NO[C@H](C[N@H+](C)Cc2cnn(-c3cccc(OC)c3)c2)C1 ZINC000244858602 474568332 /nfs/dbraw/zinc/56/83/32/474568332.db2.gz VODLNTRCKIMBCT-SFHVURJKSA-N 1 1 328.416 2.868 50 0 EFAAMO CCC1=NO[C@H](C[N@@H+](C)Cc2cnn(-c3cccc(OC)c3)c2)C1 ZINC000244858602 474568333 /nfs/dbraw/zinc/56/83/33/474568333.db2.gz VODLNTRCKIMBCT-SFHVURJKSA-N 1 1 328.416 2.868 50 0 EFAAMO c1ncn(C2CCCCC2)c1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000244858505 474568566 /nfs/dbraw/zinc/56/85/66/474568566.db2.gz VMKNLKRIZOVDII-UHFFFAOYSA-N 1 1 340.475 2.891 50 0 EFAAMO c1ncn(C2CCCCC2)c1C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000244858505 474568574 /nfs/dbraw/zinc/56/85/74/474568574.db2.gz VMKNLKRIZOVDII-UHFFFAOYSA-N 1 1 340.475 2.891 50 0 EFAAMO CC[N@@H+]1CCc2ncnc(N3C[C@H](C)O[C@@H](c4ccccc4)C3)c2C1 ZINC000252467485 474660691 /nfs/dbraw/zinc/66/06/91/474660691.db2.gz ODZIACOMQMCTPF-HNAYVOBHSA-N 1 1 338.455 2.821 50 0 EFAAMO CC[N@H+]1CCc2ncnc(N3C[C@H](C)O[C@@H](c4ccccc4)C3)c2C1 ZINC000252467485 474660697 /nfs/dbraw/zinc/66/06/97/474660697.db2.gz ODZIACOMQMCTPF-HNAYVOBHSA-N 1 1 338.455 2.821 50 0 EFAAMO C[C@@H](c1ccc2c(c1)OCCO2)[N@@H+](C)CCC(=O)Nc1nccs1 ZINC000252483980 474668758 /nfs/dbraw/zinc/66/87/58/474668758.db2.gz FLPFKDDIYQSPJJ-LBPRGKRZSA-N 1 1 347.440 2.936 50 0 EFAAMO C[C@H]1CCCC[N@H+]1C1CN(CCC(=O)Nc2ccc(F)cc2F)C1 ZINC000252492026 474677336 /nfs/dbraw/zinc/67/73/36/474677336.db2.gz MBCXCHRDDHVCHW-ZDUSSCGKSA-N 1 1 337.414 2.852 50 0 EFAAMO C[N@@H+](CCC(=O)Nc1nccs1)Cc1cnc2ccccc2n1 ZINC000252502651 474683852 /nfs/dbraw/zinc/68/38/52/474683852.db2.gz 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ZINC000426412508 477707510 /nfs/dbraw/zinc/70/75/10/477707510.db2.gz WHHMWBQAQBAJHM-INIZCTEOSA-N 1 1 331.460 2.569 50 0 EFAAMO CN(C)c1ccccc1-c1ccc([C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000426419904 477709546 /nfs/dbraw/zinc/70/95/46/477709546.db2.gz DOMFOBLTENNVCJ-FQEVSTJZSA-N 1 1 326.440 2.785 50 0 EFAAMO Cc1ccc(OCCCN(C)C(=O)NC[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000426535885 477717113 /nfs/dbraw/zinc/71/71/13/477717113.db2.gz NWUYOUKYJROCJS-KRWDZBQOSA-N 1 1 333.476 2.665 50 0 EFAAMO Cc1cnc2nc(-c3ccc([C@H](C)[NH+]4CCOCC4)cc3)cnc2n1 ZINC000426541806 477719259 /nfs/dbraw/zinc/71/92/59/477719259.db2.gz ZGCIVMLPVKAOFC-AWEZNQCLSA-N 1 1 335.411 2.788 50 0 EFAAMO CN(CCOc1cccc(Cl)c1)C(=O)NC[C@H]1CCCC[N@H+]1C ZINC000426647848 477732503 /nfs/dbraw/zinc/73/25/03/477732503.db2.gz AFTPHSDKKXTNLT-OAHLLOKOSA-N 1 1 339.867 2.845 50 0 EFAAMO CCn1cc(CN(C)C(=O)C[N@H+](C)Cc2ccc(C)cc2)c(C)n1 ZINC000426691173 477737973 /nfs/dbraw/zinc/73/79/73/477737973.db2.gz KGGYNXSRQAMFIG-UHFFFAOYSA-N 1 1 328.460 2.610 50 0 EFAAMO CCn1cc(CN(C)C(=O)C[N@@H+](C)Cc2ccc(C)cc2)c(C)n1 ZINC000426691173 477737976 /nfs/dbraw/zinc/73/79/76/477737976.db2.gz KGGYNXSRQAMFIG-UHFFFAOYSA-N 1 1 328.460 2.610 50 0 EFAAMO Cc1ccc2nc([C@@H](NC(=O)NCC3CC[NH2+]CC3)C(C)C)[nH]c2c1 ZINC000426701509 477739621 /nfs/dbraw/zinc/73/96/21/477739621.db2.gz XWTSMIWDWAYPJL-KRWDZBQOSA-N 1 1 343.475 2.867 50 0 EFAAMO CC[NH+](CC)CCNC(=O)N(C)Cc1nc2ccc(Cl)cc2[nH]1 ZINC000426701492 477740895 /nfs/dbraw/zinc/74/08/95/477740895.db2.gz VQDLKANXQZBBLR-UHFFFAOYSA-N 1 1 337.855 2.700 50 0 EFAAMO Cc1cccc(C)c1OC1CN(C(=O)NC[C@H]2CCCC[N@@H+]2C)C1 ZINC000426722691 477743776 /nfs/dbraw/zinc/74/37/76/477743776.db2.gz TWJZABQLDGQXAG-MRXNPFEDSA-N 1 1 331.460 2.560 50 0 EFAAMO CCc1[nH+]ccn1CCC(=O)NCc1nc(-c2ccccc2C)no1 ZINC000534574409 478157403 /nfs/dbraw/zinc/15/74/03/478157403.db2.gz BDLJXMAJLSYVJD-UHFFFAOYSA-N 1 1 339.399 2.510 50 0 EFAAMO COCCN(Cc1ccccc1Cl)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000534646614 478165430 /nfs/dbraw/zinc/16/54/30/478165430.db2.gz 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C[N@H+]1CCC[C@H](c2nnc3sc(COc4ccccc4)nn32)C1 ZINC001501040549 1403416577 /nfs/dbraw/zinc/41/65/77/1403416577.db2.gz WLIXIRLADBAJSS-LBPRGKRZSA-N 1 1 329.429 2.574 50 0 EFAAMO O=C1CC[C@@H](N2CCC[N@H+](C3CCCC3)CC2)CCN1CC1CC1 ZINC001506395886 1405750133 /nfs/dbraw/zinc/75/01/33/1405750133.db2.gz CAAKRWJYJWVMLM-LJQANCHMSA-N 1 1 333.520 2.728 50 0 EFAAMO O=C1CC[C@@H]([N@@H+]2CCCN(C3CCCC3)CC2)CCN1CC1CC1 ZINC001506395886 1405750135 /nfs/dbraw/zinc/75/01/35/1405750135.db2.gz CAAKRWJYJWVMLM-LJQANCHMSA-N 1 1 333.520 2.728 50 0 EFAAMO O=C1CC[C@@H]([N@H+]2CCCN(C3CCCC3)CC2)CCN1CC1CC1 ZINC001506395886 1405750137 /nfs/dbraw/zinc/75/01/37/1405750137.db2.gz CAAKRWJYJWVMLM-LJQANCHMSA-N 1 1 333.520 2.728 50 0 EFAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1ccc2c(c1)ncn2C ZINC001506404747 1405753210 /nfs/dbraw/zinc/75/32/10/1405753210.db2.gz FTWMAPPKFSDQKU-SFHVURJKSA-N 1 1 348.450 2.702 50 0 EFAAMO COc1ccc(OCCC[N@H+]2CCC[C@@H](c3cc(=O)[nH]cn3)C2)cc1 ZINC001506407421 1405754186 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Cc1cc(F)ccc1N1CCC([N@H+]2CCOC[C@@H](CN(C)C)C2)CC1 ZINC001506424320 1405762954 /nfs/dbraw/zinc/76/29/54/1405762954.db2.gz KNQJXLYTIUHEJH-KRWDZBQOSA-N 1 1 349.494 2.613 50 0 EFAAMO COc1ccc(OCCC[N@H+]2CCOc3ccc(CO)cc3C2)cc1 ZINC001506427012 1405764401 /nfs/dbraw/zinc/76/44/01/1405764401.db2.gz RACXPWXYUNVWMW-UHFFFAOYSA-N 1 1 343.423 2.851 50 0 EFAAMO O[C@@H]1C[N@H+](Cc2nccn2C2CC2)C[C@H]1Cc1ccnc2ccccc12 ZINC001704298780 1417901252 /nfs/dbraw/zinc/90/12/52/1417901252.db2.gz DJAHYNYJDYILCQ-OXQOHEQNSA-N 1 1 348.450 2.802 50 0 EFAAMO O[C@@H]1C[N@@H+](Cc2nccn2C2CC2)C[C@H]1Cc1ccnc2ccccc12 ZINC001704298780 1417901253 /nfs/dbraw/zinc/90/12/53/1417901253.db2.gz DJAHYNYJDYILCQ-OXQOHEQNSA-N 1 1 348.450 2.802 50 0 EFAAMO Cc1cc(C(N)=O)c(NC[C@@H]2CCC[N@@H+](Cc3ccco3)C2)nc1C ZINC001704300322 1417901302 /nfs/dbraw/zinc/90/13/02/1417901302.db2.gz UTWZDEMBGRBREC-HNNXBMFYSA-N 1 1 342.443 2.714 50 0 EFAAMO C[NH+](C)CCN(Cc1cnc[nH]1)C(=O)CCCc1ccc(Cl)cc1 ZINC001704311665 1417904060 /nfs/dbraw/zinc/90/40/60/1417904060.db2.gz PARICNKKZDOCNZ-UHFFFAOYSA-N 1 1 348.878 2.976 50 0 EFAAMO CC(=O)c1cnc(N2CCC[N@H+](Cc3cccs3)CC2)nc1C ZINC001704330428 1417908576 /nfs/dbraw/zinc/90/85/76/1417908576.db2.gz IWEWLNGOLUVCIZ-UHFFFAOYSA-N 1 1 330.457 2.761 50 0 EFAAMO CC(=O)c1cnc(N2CCC[N@@H+](Cc3cccs3)CC2)nc1C ZINC001704330428 1417908580 /nfs/dbraw/zinc/90/85/80/1417908580.db2.gz IWEWLNGOLUVCIZ-UHFFFAOYSA-N 1 1 330.457 2.761 50 0 EFAAMO C[NH+](C)CCN(Cc1cnc[nH]1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC001704337751 1417911198 /nfs/dbraw/zinc/91/11/98/1417911198.db2.gz YXIBRGIYWBJBEJ-UHFFFAOYSA-N 1 1 328.460 2.911 50 0 EFAAMO CO[C@H]1C[N@H+](Cc2cncn2CC(C)C)C[C@H]1Cc1cc(C)no1 ZINC001704338650 1417911333 /nfs/dbraw/zinc/91/13/33/1417911333.db2.gz XATGCFXVSRWUSC-QAPCUYQASA-N 1 1 332.448 2.525 50 0 EFAAMO CO[C@H]1C[N@@H+](Cc2cncn2CC(C)C)C[C@H]1Cc1cc(C)no1 ZINC001704338650 1417911337 /nfs/dbraw/zinc/91/13/37/1417911337.db2.gz XATGCFXVSRWUSC-QAPCUYQASA-N 1 1 332.448 2.525 50 0 EFAAMO Cc1ccc(Cl)c(C(=O)N2CC[C@@]3(CO)CCC[N@H+](C)[C@@H]3C2)c1 ZINC001704339608 1417911558 /nfs/dbraw/zinc/91/15/58/1417911558.db2.gz SVPHBKIMASGHPL-SJLPKXTDSA-N 1 1 336.863 2.567 50 0 EFAAMO CCc1nc(N2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)cc(C)[nH+]1 ZINC001704360445 1417916009 /nfs/dbraw/zinc/91/60/09/1417916009.db2.gz YUZHLXAXEDIWSP-VQIMIIECSA-N 1 1 348.450 2.935 50 0 EFAAMO COc1cc(C[NH+]2CCCC2)cc(I)c1O ZINC000023281910 717911052 /nfs/dbraw/zinc/91/10/52/717911052.db2.gz FAWCFUVNNNBWJE-UHFFFAOYSA-N 1 1 333.169 2.601 50 0 EFAAMO Fc1ccc2nc(C[N@H+]3CCC[C@@H](N4CCOCC4)C3)ccc2c1 ZINC000022851694 715248678 /nfs/dbraw/zinc/24/86/78/715248678.db2.gz XMJORVCLWKQPKN-GOSISDBHSA-N 1 1 329.419 2.671 50 0 EFAAMO CN(c1ccccc1)c1ccc(CN2CC[N@@H+](C)[C@H](CCO)C2)cc1 ZINC000104544200 715746782 /nfs/dbraw/zinc/74/67/82/715746782.db2.gz IVACGURDWMTGAV-OAQYLSRUSA-N 1 1 339.483 2.953 50 0 EFAAMO CN(c1ccccc1)c1ccc(C[N@@H+]2CCN(C)[C@H](CCO)C2)cc1 ZINC000104544200 715746784 /nfs/dbraw/zinc/74/67/84/715746784.db2.gz IVACGURDWMTGAV-OAQYLSRUSA-N 1 1 339.483 2.953 50 0 EFAAMO CN(c1ccccc1)c1ccc(C[N@H+]2CCN(C)[C@H](CCO)C2)cc1 ZINC000104544200 715746788 /nfs/dbraw/zinc/74/67/88/715746788.db2.gz IVACGURDWMTGAV-OAQYLSRUSA-N 1 1 339.483 2.953 50 0 EFAAMO CCCC[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCOC2)Cc2ccccc2O1 ZINC000014887448 716485387 /nfs/dbraw/zinc/48/53/87/716485387.db2.gz YQTQFULRFZQOOT-QZTJIDSGSA-N 1 1 346.471 2.593 50 0 EFAAMO CCCC[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCOC2)Cc2ccccc2O1 ZINC000014887448 716485390 /nfs/dbraw/zinc/48/53/90/716485390.db2.gz YQTQFULRFZQOOT-QZTJIDSGSA-N 1 1 346.471 2.593 50 0 EFAAMO OCc1ccc(CN[C@H]2CCC[N@H+](CCCc3ccccc3)C2)o1 ZINC000023375151 718115641 /nfs/dbraw/zinc/11/56/41/718115641.db2.gz DWJSTMDUDZYTNA-SFHVURJKSA-N 1 1 328.456 2.959 50 0 EFAAMO OCc1ccc(CN[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)o1 ZINC000023375151 718115644 /nfs/dbraw/zinc/11/56/44/718115644.db2.gz DWJSTMDUDZYTNA-SFHVURJKSA-N 1 1 328.456 2.959 50 0 EFAAMO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)N(Cc3cccc(F)c3)CC2)C[C@H](C)O1 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