smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CCN(C)[C@@H]2CCC[N@H+](C3CCSCC3)C2)cc1OC ZINC000023374478 836845169 /nfs/dbraw/zinc/84/51/69/836845169.db2.gz PIBGEIRNZDGYNM-LJQANCHMSA-N 1 1 378.582 3.538 50 0 GHAAMO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C3CCSCC3)C2)cc1OC ZINC000023374478 836845179 /nfs/dbraw/zinc/84/51/79/836845179.db2.gz PIBGEIRNZDGYNM-LJQANCHMSA-N 1 1 378.582 3.538 50 0 GHAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(C3CCSCC3)C2)cc1OC ZINC000023374478 836845187 /nfs/dbraw/zinc/84/51/87/836845187.db2.gz PIBGEIRNZDGYNM-LJQANCHMSA-N 1 1 378.582 3.538 50 0 GHAAMO CCc1ccc(-c2noc(C[NH+]3CCC(OC[C@H]4CCCCO4)CC3)n2)cc1 ZINC000177593212 837988586 /nfs/dbraw/zinc/98/85/86/837988586.db2.gz TZFWXHNJHUDUKK-HXUWFJFHSA-N 1 1 385.508 3.849 50 0 GHAAMO C[C@@H](C(=O)N1CCN(c2cc[nH+]cc2Cl)CC1)c1cn(C)c2ccccc12 ZINC000185808945 840283259 /nfs/dbraw/zinc/28/32/59/840283259.db2.gz KLEOSGLRLAWJIU-OAHLLOKOSA-N 1 1 382.895 3.679 50 0 GHAAMO Fc1ccc(C[N@@H+]2CC[C@H](n3cc(COCc4ccccc4)nn3)C2)c(F)c1 ZINC000675011457 840875296 /nfs/dbraw/zinc/87/52/96/840875296.db2.gz QESKPLWQZWGURL-FQEVSTJZSA-N 1 1 384.430 3.720 50 0 GHAAMO Fc1ccc(C[N@H+]2CC[C@H](n3cc(COCc4ccccc4)nn3)C2)c(F)c1 ZINC000675011457 840875298 /nfs/dbraw/zinc/87/52/98/840875298.db2.gz QESKPLWQZWGURL-FQEVSTJZSA-N 1 1 384.430 3.720 50 0 GHAAMO O[C@H](COC(c1ccccc1)c1ccccc1)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195505415 844648667 /nfs/dbraw/zinc/64/86/67/844648667.db2.gz CKIYKPQVZWXNOE-QFIPXVFZSA-N 1 1 391.515 3.756 50 0 GHAAMO Cc1ncc(C[N@@H+]2CCC[C@@H]2c2ccc(C(=O)N3CCCOCC3)s2)s1 ZINC000023478225 847080326 /nfs/dbraw/zinc/08/03/26/847080326.db2.gz IGHQCHXNKIHWKB-MRXNPFEDSA-N 1 1 391.562 3.713 50 0 GHAAMO Cc1ncc(C[N@H+]2CCC[C@@H]2c2ccc(C(=O)N3CCCOCC3)s2)s1 ZINC000023478225 847080334 /nfs/dbraw/zinc/08/03/34/847080334.db2.gz IGHQCHXNKIHWKB-MRXNPFEDSA-N 1 1 391.562 3.713 50 0 GHAAMO CCOC(=O)c1oc2ccccc2c1C[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000057450586 862098451 /nfs/dbraw/zinc/09/84/51/862098451.db2.gz WPJBDHMIPOVDRM-UHFFFAOYSA-N 1 1 394.471 3.940 50 0 GHAAMO C[C@H]([NH2+][C@H](c1cccs1)c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000057452452 862103961 /nfs/dbraw/zinc/10/39/61/862103961.db2.gz RTCYGJVRJIWVLR-BTYIYWSLSA-N 1 1 391.496 3.801 50 0 GHAAMO C[N@@H+]1CCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)[C@H](c2ccccc2)C1 ZINC000024929552 851580615 /nfs/dbraw/zinc/58/06/15/851580615.db2.gz PKWSKHGVOJSRHB-UCFODXPJSA-N 1 1 398.890 3.640 50 0 GHAAMO C[N@H+]1CCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)[C@H](c2ccccc2)C1 ZINC000024929552 851580622 /nfs/dbraw/zinc/58/06/22/851580622.db2.gz PKWSKHGVOJSRHB-UCFODXPJSA-N 1 1 398.890 3.640 50 0 GHAAMO FC(F)(F)c1ccccc1OCC[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000171618490 862534758 /nfs/dbraw/zinc/53/47/58/862534758.db2.gz MOAPYJBOVSFGMH-CQSZACIVSA-N 1 1 380.414 3.502 50 0 GHAAMO C[N@H+]1CC[C@@H](Nc2ncnc3c2cnn3-c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000253394432 855005074 /nfs/dbraw/zinc/00/50/74/855005074.db2.gz FGOAQTSUPNPKAL-WOJBJXKFSA-N 1 1 388.450 3.812 50 0 GHAAMO CC(C)n1ccc2c1cccc2OCC(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253406368 855048193 /nfs/dbraw/zinc/04/81/93/855048193.db2.gz IWHCOMZSQUJKNF-AZUAARDMSA-N 1 1 383.536 3.982 50 0 biogenic GHAAMO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C[N@@H+]1CCCC(C)(C)C1 ZINC000002297615 855122149 /nfs/dbraw/zinc/12/21/49/855122149.db2.gz NSZXJNQXCZVSNZ-UHFFFAOYSA-N 1 1 377.872 3.668 50 0 GHAAMO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C[N@H+]1CCCC(C)(C)C1 ZINC000002297615 855122155 /nfs/dbraw/zinc/12/21/55/855122155.db2.gz NSZXJNQXCZVSNZ-UHFFFAOYSA-N 1 1 377.872 3.668 50 0 GHAAMO CCC[C@H](NC(=O)C[NH+]1CCC(c2nnc3ccccn32)CC1)c1ccccc1 ZINC000067443556 855993997 /nfs/dbraw/zinc/99/39/97/855993997.db2.gz DZBHTVLFPKVAAJ-FQEVSTJZSA-N 1 1 391.519 3.566 50 0 GHAAMO O=C(Cc1ccc(C(F)(F)F)cc1)NCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000670469566 856025910 /nfs/dbraw/zinc/02/59/10/856025910.db2.gz HVVAAJTYZDCHIC-GOSISDBHSA-N 1 1 376.422 3.854 50 0 GHAAMO CC[C@@H](C)[C@H]([NH3+])c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 ZINC000002383932 857512230 /nfs/dbraw/zinc/51/22/30/857512230.db2.gz KABOXXWBHJEGRM-RNCFNFMXSA-N 1 1 399.314 3.609 50 0 GHAAMO COc1ccc(CC(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(SC)cc3)C2)cc1 ZINC000011842234 857589466 /nfs/dbraw/zinc/58/94/66/857589466.db2.gz IRPVNKRLXCFOEJ-HXUWFJFHSA-N 1 1 398.572 3.988 50 0 GHAAMO CC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1nc(-c2cc(F)ccc2F)oc1C ZINC000012031546 858585614 /nfs/dbraw/zinc/58/56/14/858585614.db2.gz RHORKWTZPLSSLH-INIZCTEOSA-N 1 1 377.435 3.809 50 0 GHAAMO COc1cc(OC)cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000012057631 858713002 /nfs/dbraw/zinc/71/30/02/858713002.db2.gz HTNMGCCSCQSTSG-SFHVURJKSA-N 1 1 388.895 3.752 50 0 GHAAMO COc1cc(OC)cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000012057631 858713008 /nfs/dbraw/zinc/71/30/08/858713008.db2.gz HTNMGCCSCQSTSG-SFHVURJKSA-N 1 1 388.895 3.752 50 0 GHAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1)c1ccc2c(c1)OCO2 ZINC000012385442 859259869 /nfs/dbraw/zinc/25/98/69/859259869.db2.gz KQLUWGANSKRPCI-MRXNPFEDSA-N 1 1 391.471 3.539 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@@H](NC(=O)Cc3ccc(SC)cc3)C2)c1 ZINC000012588524 859445686 /nfs/dbraw/zinc/44/56/86/859445686.db2.gz QAJQQYFZGYXKCX-LJQANCHMSA-N 1 1 384.545 3.740 50 0 GHAAMO CCc1nc(C)c(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(OC)c2)C3)o1 ZINC000012758776 859563213 /nfs/dbraw/zinc/56/32/13/859563213.db2.gz BQBKFMXYUTUOFK-QHCPKHFHSA-N 1 1 397.519 3.682 50 0 GHAAMO CCOc1ccccc1NC(=O)N1CC([N@H+](Cc2cccnc2)CC(C)C)C1 ZINC000169784053 859778867 /nfs/dbraw/zinc/77/88/67/859778867.db2.gz ZVKCAIKHXALPJU-UHFFFAOYSA-N 1 1 382.508 3.855 50 0 GHAAMO COC[C@H]1C[N@H+](C2CCC2)CC12CCN(C(=O)c1ccc3ccccc3n1)CC2 ZINC000169786891 859782911 /nfs/dbraw/zinc/78/29/11/859782911.db2.gz DIYHESUZPVEPAG-LJQANCHMSA-N 1 1 393.531 3.588 50 0 GHAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000012317840 859895360 /nfs/dbraw/zinc/89/53/60/859895360.db2.gz OKROPRPSJUJYJE-QGZVFWFLSA-N 1 1 399.520 3.707 50 0 GHAAMO C[C@H](CC(=O)OCC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC(=O)C1CCCC1 ZINC000095467972 860594636 /nfs/dbraw/zinc/59/46/36/860594636.db2.gz YODSAMQVNOGPEJ-UYAOXDASSA-N 1 1 386.536 3.527 50 0 GHAAMO Cc1cc2[nH]c(C(=O)Nc3cc(F)ccc3F)c(C[NH+]3CCOCC3)c2s1 ZINC000096363811 860902997 /nfs/dbraw/zinc/90/29/97/860902997.db2.gz XZRFSAJLENSFHJ-UHFFFAOYSA-N 1 1 391.443 3.901 50 0 GHAAMO CO[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)Nc2ccc(Oc3ccccc3)cn2)C1 ZINC000626493581 864179685 /nfs/dbraw/zinc/17/96/85/864179685.db2.gz JVSGJECKPVWTNX-SLFFLAALSA-N 1 1 396.491 3.637 50 0 GHAAMO C[N@H+]1CCC[C@@H]1[C@](C)(O)c1ccc(OCc2cccnc2C(F)(F)F)cc1 ZINC000530173473 868028091 /nfs/dbraw/zinc/02/80/91/868028091.db2.gz PHJDRUGZBQIKPO-IEBWSBKVSA-N 1 1 380.410 3.981 50 0 GHAAMO Cn1nccc1C(=O)N1CCC([N@H+]2CC3(CCCC3)[C@H]2c2ccccc2)CC1 ZINC000581803628 870022878 /nfs/dbraw/zinc/02/28/78/870022878.db2.gz VWROQZJQJXFMHJ-OAQYLSRUSA-N 1 1 378.520 3.642 50 0 GHAAMO CC[C@@H]1CN(c2nccc(-c3cnn(-c4cccc(Cl)c4)c3)n2)CC[N@H+]1C ZINC000200596077 876936509 /nfs/dbraw/zinc/93/65/09/876936509.db2.gz WQWRTPVJTQETCP-QGZVFWFLSA-N 1 1 382.899 3.513 50 0 GHAAMO COc1cc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc(Cl)c1OC ZINC000179777933 878006746 /nfs/dbraw/zinc/00/67/46/878006746.db2.gz NHNJZEFDORASLN-OAHLLOKOSA-N 1 1 386.883 3.780 50 0 GHAAMO c1nc(N2CCOCC2)sc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000127809320 892329679 /nfs/dbraw/zinc/32/96/79/892329679.db2.gz QBKSXZXTRUOKBR-HNNXBMFYSA-N 1 1 384.505 3.501 50 0 GHAAMO Cc1ncc(C(=O)N[C@@H](C)C[N@H+]2CCc3ccccc3C2)c(-c2ccccc2)n1 ZINC000670440268 893311361 /nfs/dbraw/zinc/31/13/61/893311361.db2.gz RNUQFQYQLDWMDF-KRWDZBQOSA-N 1 1 386.499 3.629 50 0 GHAAMO COc1ccccc1-n1cc(C[N@@H+]2CCCOc3c(cccc3OC)C2)cn1 ZINC000670458604 893601865 /nfs/dbraw/zinc/60/18/65/893601865.db2.gz ZCFCTSXFPUAVQU-UHFFFAOYSA-N 1 1 379.460 3.674 50 0 GHAAMO COc1ccccc1-n1cc(C[N@H+]2CCCOc3c(cccc3OC)C2)cn1 ZINC000670458604 893601877 /nfs/dbraw/zinc/60/18/77/893601877.db2.gz ZCFCTSXFPUAVQU-UHFFFAOYSA-N 1 1 379.460 3.674 50 0 GHAAMO C[C@@H](c1cccnc1)[N@H+](Cc1ccc(-n2ccnc2)nc1)CC1CCOCC1 ZINC000585084645 897139312 /nfs/dbraw/zinc/13/93/12/897139312.db2.gz APNWLRLQXTXMNU-SFHVURJKSA-N 1 1 377.492 3.652 50 0 GHAAMO CCOc1ccc(C)cc1S(=O)(=O)N1CCCC[C@H]1CCn1cc[nH+]c1C ZINC000952870012 904634373 /nfs/dbraw/zinc/63/43/73/904634373.db2.gz TZPVUOYSYAJERW-SFHVURJKSA-N 1 1 391.537 3.532 50 0 GHAAMO CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N(C)Cc1cc(-c2cccs2)n[nH]1 ZINC000952963786 904642790 /nfs/dbraw/zinc/64/27/90/904642790.db2.gz KHQJPFPYGLGQMN-IBGZPJMESA-N 1 1 380.517 3.543 50 0 GHAAMO CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)N(C)Cc1cc(-c2cccs2)n[nH]1 ZINC000952963786 904642797 /nfs/dbraw/zinc/64/27/97/904642797.db2.gz KHQJPFPYGLGQMN-IBGZPJMESA-N 1 1 380.517 3.543 50 0 GHAAMO FC(F)(F)c1ccc(OCC[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000107298835 906385542 /nfs/dbraw/zinc/38/55/42/906385542.db2.gz MKHRIUYNMFRTTH-CQSZACIVSA-N 1 1 380.414 3.502 50 0 GHAAMO O=C(Nc1ccc2c(c1)C[N@H+](Cc1cccc3cnccc31)CC2)[C@H]1CCCO1 ZINC000014956026 919349231 /nfs/dbraw/zinc/34/92/31/919349231.db2.gz BSGDKXVSTKRCOR-HSZRJFAPSA-N 1 1 387.483 3.911 50 0 GHAAMO OCc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2cccc(F)c2F)C3)o1 ZINC000015076138 919358732 /nfs/dbraw/zinc/35/87/32/919358732.db2.gz ZKTJZYCHNXVNMH-OAQYLSRUSA-N 1 1 376.447 3.538 50 0 GHAAMO COc1c(C)c[nH+]c(CN2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)c1C ZINC000067712670 926359691 /nfs/dbraw/zinc/35/96/91/926359691.db2.gz XCFXBQVNDLNCTK-UHFFFAOYSA-N 1 1 384.430 3.934 50 0 GHAAMO Cc1[nH+]ccn1CC1(CNC(=O)c2cccc(-c3ccccc3CO)c2)CC1 ZINC000426541199 231238300 /nfs/dbraw/zinc/23/83/00/231238300.db2.gz DLUQYHSOVODIMK-UHFFFAOYSA-N 1 1 375.472 3.561 50 0 GHAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)c1onc2c1CCCC2 ZINC000426512285 529966159 /nfs/dbraw/zinc/96/61/59/529966159.db2.gz OUVQCHCSMYPIKD-QGZVFWFLSA-N 1 1 399.510 3.719 50 0 GHAAMO CC[NH+]1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c(NC(C)=O)c2)CC1 ZINC000004676613 204062833 /nfs/dbraw/zinc/06/28/33/204062833.db2.gz VNUMGBLRXSNMOF-UHFFFAOYSA-N 1 1 397.544 3.882 50 0 GHAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Br)c2)N3)C1 ZINC000006732667 204196483 /nfs/dbraw/zinc/19/64/83/204196483.db2.gz SECUJRDOEQFHJM-AWEZNQCLSA-N 1 1 378.295 3.927 50 0 GHAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Br)c2)N3)C1 ZINC000006732667 204196487 /nfs/dbraw/zinc/19/64/87/204196487.db2.gz SECUJRDOEQFHJM-AWEZNQCLSA-N 1 1 378.295 3.927 50 0 GHAAMO CCCC[N@@H+](CC)CCNC(=O)c1ccc(C[S@@](=O)c2ccc(F)cc2)o1 ZINC000006895672 204221110 /nfs/dbraw/zinc/22/11/10/204221110.db2.gz WBPPUGXPFWSMHA-MHZLTWQESA-N 1 1 394.512 3.578 50 0 GHAAMO C[C@H]1CCc2nc(NC(=O)C[NH+]3CCC(Cc4ccccc4)CC3)sc2C1 ZINC000006920449 204223797 /nfs/dbraw/zinc/22/37/97/204223797.db2.gz ZOOWQPAMZIZYIE-INIZCTEOSA-N 1 1 383.561 3.583 50 0 GHAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCc2cccc(Cl)c2)c(OC)c1 ZINC000007741644 204249254 /nfs/dbraw/zinc/24/92/54/204249254.db2.gz NPFDVLVICZDOFU-LJQANCHMSA-N 1 1 388.895 3.811 50 0 GHAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)NCc2cccc(Cl)c2)c(OC)c1 ZINC000007741644 204249259 /nfs/dbraw/zinc/24/92/59/204249259.db2.gz NPFDVLVICZDOFU-LJQANCHMSA-N 1 1 388.895 3.811 50 0 GHAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)NCc1ccccc1Cl ZINC000008319150 204272243 /nfs/dbraw/zinc/27/22/43/204272243.db2.gz WDTQTOVKSIBRGV-GOSISDBHSA-N 1 1 386.879 3.565 50 0 GHAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)NCc1ccccc1Cl ZINC000008319150 204272248 /nfs/dbraw/zinc/27/22/48/204272248.db2.gz WDTQTOVKSIBRGV-GOSISDBHSA-N 1 1 386.879 3.565 50 0 GHAAMO COc1ccc(CC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000036395366 204319911 /nfs/dbraw/zinc/31/99/11/204319911.db2.gz QDIHEPZMVZVMDM-GOSISDBHSA-N 1 1 396.531 3.795 50 0 GHAAMO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000010056281 204330407 /nfs/dbraw/zinc/33/04/07/204330407.db2.gz KNTWEMWVHQKKAH-GOSISDBHSA-N 1 1 383.511 3.953 50 0 GHAAMO C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000010056281 204330411 /nfs/dbraw/zinc/33/04/11/204330411.db2.gz KNTWEMWVHQKKAH-GOSISDBHSA-N 1 1 383.511 3.953 50 0 GHAAMO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OC)c(F)c2)c1C ZINC000009076942 204299026 /nfs/dbraw/zinc/29/90/26/204299026.db2.gz ZOAYNKBEHQIIHD-OCCSQVGLSA-N 1 1 390.455 3.878 50 0 GHAAMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4ccnn4C)C3)C2)cc1 ZINC000011844267 204357662 /nfs/dbraw/zinc/35/76/62/204357662.db2.gz OFYKPSUEMNTYQV-QHCPKHFHSA-N 1 1 380.536 3.672 50 0 GHAAMO Cc1cccc(-n2ccnc2C[N@@H+]2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)c1 ZINC000011935249 204362922 /nfs/dbraw/zinc/36/29/22/204362922.db2.gz IIQFZTIXNPBSGQ-LJQANCHMSA-N 1 1 390.487 3.986 50 0 GHAAMO Cc1cccc(-n2ccnc2C[N@H+]2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)c1 ZINC000011935249 204362928 /nfs/dbraw/zinc/36/29/28/204362928.db2.gz IIQFZTIXNPBSGQ-LJQANCHMSA-N 1 1 390.487 3.986 50 0 GHAAMO CCCC[C@H]1C[N@H+](CCNC(=O)c2ccc3c(c2)OCO3)Cc2ccccc2O1 ZINC000011963525 204366107 /nfs/dbraw/zinc/36/61/07/204366107.db2.gz YXVDHQFNJGZCSU-IBGZPJMESA-N 1 1 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390.483 3.815 50 0 GHAAMO Cc1csc2nc(C[N@@H+](Cc3ccc4c(c3)OCO4)C3CCCC3)cc(=O)n12 ZINC000012818566 570231850 /nfs/dbraw/zinc/23/18/50/570231850.db2.gz STWAOYSCGOOZJX-UHFFFAOYSA-N 1 1 397.500 3.738 50 0 GHAAMO c1cnn(-c2ccc(C[N@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)cc2)c1 ZINC000048362525 570244293 /nfs/dbraw/zinc/24/42/93/570244293.db2.gz XYCCFZPCPFRIHF-IBGZPJMESA-N 1 1 376.508 3.570 50 0 GHAAMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(C)ccc23)cc1 ZINC000048363597 570245281 /nfs/dbraw/zinc/24/52/81/570245281.db2.gz WXZATYSMIMXQJE-FQEVSTJZSA-N 1 1 392.455 3.713 50 0 GHAAMO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(C)ccc23)cc1 ZINC000048363597 570245284 /nfs/dbraw/zinc/24/52/84/570245284.db2.gz WXZATYSMIMXQJE-FQEVSTJZSA-N 1 1 392.455 3.713 50 0 GHAAMO COc1cc2c(cc1CN(C)[C@@H]1CCC[N@@H+](CCc3ccccc3)C1)OCO2 ZINC000020204181 570247496 /nfs/dbraw/zinc/24/74/96/570247496.db2.gz IYYHFCZFJLTTNF-HXUWFJFHSA-N 1 1 382.504 3.563 50 0 GHAAMO CC[N@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2cccc(C)c2)C1=O ZINC000020533400 570265413 /nfs/dbraw/zinc/26/54/13/570265413.db2.gz MXYQRJPPABRVJK-QZMYASAMSA-N 1 1 389.499 3.597 50 0 GHAAMO COCC[N@@H+](Cc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn21)C(C)C ZINC000020906613 570284025 /nfs/dbraw/zinc/28/40/25/570284025.db2.gz YYBPLMPGLGJISB-UHFFFAOYSA-N 1 1 386.540 3.516 50 0 GHAAMO Cc1ccc2nc(C[N@@H+](Cc3ccc4c(c3)OCO4)C3CCCC3)cc(=O)n2c1 ZINC000012922377 570295173 /nfs/dbraw/zinc/29/51/73/570295173.db2.gz AXPTVKBQOGKPLI-UHFFFAOYSA-N 1 1 391.471 3.676 50 0 GHAAMO COCCNC(=O)[C@H]1C[C@@H](c2cccc(C)c2)C[N@@H+](Cc2cccc(F)c2)C1 ZINC000034711258 570302904 /nfs/dbraw/zinc/30/29/04/570302904.db2.gz CINZEBRIRCLFOI-RTWAWAEBSA-N 1 1 384.495 3.502 50 0 GHAAMO CN1c2ccccc2N(C2CC[NH+](Cc3cccc(Cl)c3)CC2)S1(=O)=O ZINC000575414205 570303641 /nfs/dbraw/zinc/30/36/41/570303641.db2.gz QGAMKVACUZUZEC-UHFFFAOYSA-N 1 1 391.924 3.506 50 0 GHAAMO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000024843381 570342040 /nfs/dbraw/zinc/34/20/40/570342040.db2.gz QOMJGZQOGVCUGA-PKOBYXMFSA-N 1 1 397.494 3.696 50 0 GHAAMO OCC[C@H]1C[N@@H+](Cc2cccc3cnccc32)CCN1Cc1ccc(F)c(F)c1 ZINC000023128888 570345415 /nfs/dbraw/zinc/34/54/15/570345415.db2.gz DUBUOPIHLUMKOE-FQEVSTJZSA-N 1 1 397.469 3.582 50 0 GHAAMO Clc1cccc(-c2noc(CN3CC[NH+](CCOc4ccccc4)CC3)n2)c1 ZINC000023373383 570357860 /nfs/dbraw/zinc/35/78/60/570357860.db2.gz GHXSLWMWWLIHIS-UHFFFAOYSA-N 1 1 398.894 3.587 50 0 GHAAMO Cc1ncsc1CC[N@H+](C)C1CCN(c2cccc(-c3cc[nH]n3)c2)CC1 ZINC000023399255 570361063 /nfs/dbraw/zinc/36/10/63/570361063.db2.gz VCSKDBVYTLDHPE-UHFFFAOYSA-N 1 1 381.549 3.985 50 0 GHAAMO Cc1cc(C)c(-n2cccn2)c(C[N@H+]2CCC[C@H]2c2ccc(C(N)=O)s2)c1 ZINC000023506704 570363990 /nfs/dbraw/zinc/36/39/90/570363990.db2.gz MHXXXURASNUITI-KRWDZBQOSA-N 1 1 380.517 3.987 50 0 GHAAMO CC1CCN(C(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000000819216 570372473 /nfs/dbraw/zinc/37/24/73/570372473.db2.gz RUFQWQTVAYCRNQ-UHFFFAOYSA-N 1 1 379.342 3.920 50 0 GHAAMO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(C)c1 ZINC000024856575 570396306 /nfs/dbraw/zinc/39/63/06/570396306.db2.gz FRWIYWUTMASYSD-SFHVURJKSA-N 1 1 379.504 3.981 50 0 GHAAMO COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)c1 ZINC000025415192 570413201 /nfs/dbraw/zinc/41/32/01/570413201.db2.gz SEXVDTFSZJITBT-FQEVSTJZSA-N 1 1 382.460 3.566 50 0 GHAAMO COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)c1 ZINC000025415192 570413203 /nfs/dbraw/zinc/41/32/03/570413203.db2.gz SEXVDTFSZJITBT-FQEVSTJZSA-N 1 1 382.460 3.566 50 0 GHAAMO O=C(CC[N@@H+]1CC=C(c2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000026920673 570430040 /nfs/dbraw/zinc/43/00/40/570430040.db2.gz HWEDNSBTUACBCT-UHFFFAOYSA-N 1 1 393.506 3.654 50 0 GHAAMO COc1cccc([C@H](O)C[N@H+]2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000240707769 570430926 /nfs/dbraw/zinc/43/09/26/570430926.db2.gz HQKSSBGLGXFBHL-NZSAHSFTSA-N 1 1 381.394 3.555 50 0 GHAAMO C[N@H+]1CC[C@H]2CCN(Cc3nc(=O)c4cc(-c5ccccc5)sc4[nH]3)[C@H]2C1 ZINC000240757070 570430954 /nfs/dbraw/zinc/43/09/54/570430954.db2.gz HWCUUHJCJHLCJJ-YOEHRIQHSA-N 1 1 380.517 3.590 50 0 GHAAMO CCN1CC[NH+](C2(CNC(=O)c3oc4ccccc4c3C)CCCCC2)CC1 ZINC000028293568 570456981 /nfs/dbraw/zinc/45/69/81/570456981.db2.gz CPIBFSOSPJXHCG-UHFFFAOYSA-N 1 1 383.536 3.811 50 0 GHAAMO CC[C@H](CNC(=O)N(C)Cc1ccc(OC)cc1)[N@H+]1CCc2ccccc2C1 ZINC000028391832 570458582 /nfs/dbraw/zinc/45/85/82/570458582.db2.gz FKAYOCWWSJPWNF-OAQYLSRUSA-N 1 1 381.520 3.674 50 0 GHAAMO C[NH+](C)[C@H](CNc1ccc2nnc(C(F)(F)F)n2n1)c1ccccc1Cl ZINC000028751894 570463651 /nfs/dbraw/zinc/46/36/51/570463651.db2.gz UUKGJIIULQOQDL-GFCCVEGCSA-N 1 1 384.793 3.511 50 0 GHAAMO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000029597780 570476829 /nfs/dbraw/zinc/47/68/29/570476829.db2.gz TXUKVVDUCZWXEL-OXJNMPFZSA-N 1 1 398.478 3.953 50 0 GHAAMO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000029597780 570476833 /nfs/dbraw/zinc/47/68/33/570476833.db2.gz TXUKVVDUCZWXEL-OXJNMPFZSA-N 1 1 398.478 3.953 50 0 GHAAMO C[N@@H+]1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)[C@@H](c2ccccc2)C1 ZINC000030030594 570485750 /nfs/dbraw/zinc/48/57/50/570485750.db2.gz FXJCCMCRVAEPQB-HXUWFJFHSA-N 1 1 375.472 3.790 50 0 GHAAMO C[N@H+]1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)[C@@H](c2ccccc2)C1 ZINC000030030594 570485755 /nfs/dbraw/zinc/48/57/55/570485755.db2.gz FXJCCMCRVAEPQB-HXUWFJFHSA-N 1 1 375.472 3.790 50 0 GHAAMO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)c(OC)c1 ZINC000006616577 570505661 /nfs/dbraw/zinc/50/56/61/570505661.db2.gz VUUKXCYHKPRNCK-GOSISDBHSA-N 1 1 387.505 3.961 50 0 GHAAMO COc1ccccc1-c1nnc(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2)o1 ZINC000078969234 570510062 /nfs/dbraw/zinc/51/00/62/570510062.db2.gz DOIRDAAUBBXRMG-SFHVURJKSA-N 1 1 378.476 3.846 50 0 GHAAMO OC[C@H]1CCC[N@H+]1C[C@H]1CCCN1c1ncnc2scc(-c3ccccc3)c21 ZINC000079016303 570510223 /nfs/dbraw/zinc/51/02/23/570510223.db2.gz RHGCYRYBGZAZFQ-QZTJIDSGSA-N 1 1 394.544 3.784 50 0 GHAAMO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[NH+]1CCCCC1)C[C@H](C)CC2 ZINC000003345259 570605608 /nfs/dbraw/zinc/60/56/08/570605608.db2.gz YNLGXYAZMOHRJF-ZIAGYGMSSA-N 1 1 378.538 3.863 50 0 GHAAMO COc1c(C)cc(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(OCCO)c3)C2)cc1C ZINC000012300678 570636040 /nfs/dbraw/zinc/63/60/40/570636040.db2.gz VYSYUUKOWWVMMO-FQEVSTJZSA-N 1 1 397.515 3.778 50 0 GHAAMO CCn1nc(C)c(C[N@H+]2CCC[C@H](C(=O)c3ccc(OC)c(OC)c3)C2)c1C ZINC000012457725 570669578 /nfs/dbraw/zinc/66/95/78/570669578.db2.gz YQWWTWZEIIHZDT-SFHVURJKSA-N 1 1 385.508 3.632 50 0 GHAAMO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000012476131 570673715 /nfs/dbraw/zinc/67/37/15/570673715.db2.gz UDFVTSZRQLUUOC-MRXNPFEDSA-N 1 1 385.435 3.700 50 0 GHAAMO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000012476131 570673716 /nfs/dbraw/zinc/67/37/16/570673716.db2.gz UDFVTSZRQLUUOC-MRXNPFEDSA-N 1 1 385.435 3.700 50 0 GHAAMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4cnccn4)C3)C2)cc1 ZINC000012710847 570702247 /nfs/dbraw/zinc/70/22/47/570702247.db2.gz HFFKMYIVEPMHDU-HSZRJFAPSA-N 1 1 378.520 3.728 50 0 GHAAMO O=C(CCc1nc2ccccc2s1)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000012718830 570705876 /nfs/dbraw/zinc/70/58/76/570705876.db2.gz MPLAKMGJRYFRFZ-QFIPXVFZSA-N 1 1 383.561 3.953 50 0 GHAAMO CC(=O)N1CCc2cc(NC(=O)C[N@@H+](C)[C@H](C)c3cc4ccccc4o3)ccc21 ZINC000012793847 570715259 /nfs/dbraw/zinc/71/52/59/570715259.db2.gz ABIBYRRUCFBJRU-OAHLLOKOSA-N 1 1 391.471 3.973 50 0 GHAAMO CC(=O)N1CCc2cc(NC(=O)C[N@H+](C)[C@H](C)c3cc4ccccc4o3)ccc21 ZINC000012793847 570715261 /nfs/dbraw/zinc/71/52/61/570715261.db2.gz ABIBYRRUCFBJRU-OAHLLOKOSA-N 1 1 391.471 3.973 50 0 GHAAMO COc1cc(OC)cc(C(=O)Nc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cs2)c1 ZINC000012978396 570735497 /nfs/dbraw/zinc/73/54/97/570735497.db2.gz NFIQRWJSGIUKEJ-ZIAGYGMSSA-N 1 1 389.521 3.891 50 0 GHAAMO O=C(C[NH+]1CCCCCCC1)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000013002784 570741192 /nfs/dbraw/zinc/74/11/92/570741192.db2.gz PMSDTAWBTHRIMS-INIZCTEOSA-N 1 1 383.414 3.559 50 0 GHAAMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1OC)Cc1ccc2c(c1)OCO2 ZINC000011351776 570794934 /nfs/dbraw/zinc/79/49/34/570794934.db2.gz KUYVWXPJTBVYSX-UHFFFAOYSA-N 1 1 376.840 3.538 50 0 GHAAMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1OC)Cc1ccc2c(c1)OCO2 ZINC000011351776 570794936 /nfs/dbraw/zinc/79/49/36/570794936.db2.gz KUYVWXPJTBVYSX-UHFFFAOYSA-N 1 1 376.840 3.538 50 0 GHAAMO CCOC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000032769209 570803983 /nfs/dbraw/zinc/80/39/83/570803983.db2.gz KJQMBEWMROVVRJ-FUHWJXTLSA-N 1 1 375.490 3.502 50 0 GHAAMO Cc1ccc(Cl)cc1NC(=O)c1nc2ccccc2nc1N1CC[NH+](C)CC1 ZINC000033086086 570807885 /nfs/dbraw/zinc/80/78/85/570807885.db2.gz MDHKPZYIFSEMAP-UHFFFAOYSA-N 1 1 395.894 3.596 50 0 GHAAMO CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)NCc2ccccc2Cl)cc1OC ZINC000032797172 570819367 /nfs/dbraw/zinc/81/93/67/570819367.db2.gz PHFILTPPLHMBAI-OAHLLOKOSA-N 1 1 390.911 3.884 50 0 GHAAMO CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)NCc2ccccc2Cl)cc1OC ZINC000032797172 570819369 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50 0 GHAAMO CN(C(=O)CCC(=O)c1ccccc1)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000014967617 570867343 /nfs/dbraw/zinc/86/73/43/570867343.db2.gz FXQKXGQFTUHYAU-JOCHJYFZSA-N 1 1 390.527 3.740 50 0 GHAAMO CSc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(C(C)C)CC3)C2)cc1 ZINC000014981170 570869882 /nfs/dbraw/zinc/86/98/82/570869882.db2.gz CLXOMWIFFMCZEL-LJQANCHMSA-N 1 1 389.609 3.610 50 0 GHAAMO CSc1ccc(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(C(C)C)CC3)C2)cc1 ZINC000014981170 570869887 /nfs/dbraw/zinc/86/98/87/570869887.db2.gz CLXOMWIFFMCZEL-LJQANCHMSA-N 1 1 389.609 3.610 50 0 GHAAMO O=C(/C=C/c1cccnc1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1F)C2 ZINC000015064986 570875773 /nfs/dbraw/zinc/87/57/73/570875773.db2.gz LVRUJVICZZOKKX-UPWIVDSGSA-N 1 1 379.479 3.749 50 0 GHAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+]2Cc2cnn(C)c2)cc1 ZINC000015071835 570877165 /nfs/dbraw/zinc/87/71/65/570877165.db2.gz VJOZWAGUHDKMFV-QFIPXVFZSA-N 1 1 390.487 3.699 50 0 GHAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+]2Cc2cnn(C)c2)cc1 ZINC000015071835 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C[N@H+]1CCCC[C@H]1CN1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000095512149 571082510 /nfs/dbraw/zinc/08/25/10/571082510.db2.gz CLDWYDOWWKQPCI-FQEVSTJZSA-N 1 1 389.971 3.639 50 0 GHAAMO CC(=O)CCC(=O)N1CCC2(CCC([N@H+]3CCc4ccccc4C3)CC2)CC1 ZINC000257194391 838986404 /nfs/dbraw/zinc/98/64/04/838986404.db2.gz TYZNAHLXQTYGKJ-UHFFFAOYSA-N 1 1 382.548 3.965 50 0 GHAAMO CCOC(=O)[C@@]1(CCOC)CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000019742714 839823148 /nfs/dbraw/zinc/82/31/48/839823148.db2.gz FZGSVNSKGOILBX-OAQYLSRUSA-N 1 1 388.533 3.992 50 0 GHAAMO CC(=O)Nc1ccc(CN(C)[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000019792614 839849411 /nfs/dbraw/zinc/84/94/11/839849411.db2.gz YGTFTTNNJWVEFI-HSZRJFAPSA-N 1 1 377.532 3.709 50 0 GHAAMO CC(=O)Nc1ccc(C[N@@H+](C)[C@@H]2CCCN(C3Cc4ccccc4C3)C2)cc1 ZINC000019792614 839849417 /nfs/dbraw/zinc/84/94/17/839849417.db2.gz YGTFTTNNJWVEFI-HSZRJFAPSA-N 1 1 377.532 3.709 50 0 GHAAMO CC(=O)Nc1ccc(C[N@H+](C)[C@@H]2CCCN(C3Cc4ccccc4C3)C2)cc1 ZINC000019792614 839849424 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Cc1ccc(-c2noc([C@H](C)[N@H+]3CCCN(c4ccccn4)CC3)n2)cc1F ZINC000183775064 858799448 /nfs/dbraw/zinc/79/94/48/858799448.db2.gz YZYFWJDJUXJRCH-INIZCTEOSA-N 1 1 381.455 3.852 50 0 GHAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1)c1ccc2c(c1)OCO2 ZINC000012385441 859260178 /nfs/dbraw/zinc/26/01/78/859260178.db2.gz KQLUWGANSKRPCI-INIZCTEOSA-N 1 1 391.471 3.539 50 0 GHAAMO Cc1cc(C)c(C[N@H+]2C[C@H](CNC(=O)N3CCCC3)C3(C2)CCOCC3)c(C)c1 ZINC000257173930 859313507 /nfs/dbraw/zinc/31/35/07/859313507.db2.gz ALKANKBKUMGFRU-NRFANRHFSA-N 1 1 399.579 3.646 50 0 GHAAMO C[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000012280425 859629391 /nfs/dbraw/zinc/62/93/91/859629391.db2.gz ZHNBERDJTDQOHN-MBAXHRRTSA-N 1 1 397.563 3.551 50 0 GHAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)Nc1ccccc1Cl ZINC000020154012 859923374 /nfs/dbraw/zinc/92/33/74/859923374.db2.gz XMPVLRIMVRJHNW-UHFFFAOYSA-N 1 1 386.927 3.669 50 0 GHAAMO COC(=O)CC1CC[NH+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000328591030 860176337 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377.488 3.729 50 0 GHAAMO S=c1[nH]c(-c2cccs2)nn1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022792501 872350173 /nfs/dbraw/zinc/35/01/73/872350173.db2.gz OEZJJVLXDVXGRG-XBXARRHUSA-N 1 1 397.573 3.958 50 0 GHAAMO CCN(C(=O)C[N@@H+](CC)[C@H]1CCOC(C)(C)C1)c1nc2ccccc2s1 ZINC000585084868 897199989 /nfs/dbraw/zinc/19/99/89/897199989.db2.gz KPFRSGQXXZGHOA-HNNXBMFYSA-N 1 1 375.538 3.929 50 0 GHAAMO COc1cc(/C=C\C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC(C)C ZINC000096585382 914799450 /nfs/dbraw/zinc/79/94/50/914799450.db2.gz DIFTXIKTADBRRQ-JQZHBYGZSA-N 1 1 394.515 3.886 50 0 GHAAMO Cc1cc(C(=O)Nc2ccccc2NC(=O)C[NH+](C)C)c2cccc(Cl)c2n1 ZINC000952976777 904656798 /nfs/dbraw/zinc/65/67/98/904656798.db2.gz OQDQPDMTKOUDPB-UHFFFAOYSA-N 1 1 396.878 3.949 50 0 GHAAMO Cc1ccsc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cn3ccc(C)cc3n2)C1 ZINC000952984540 904669963 /nfs/dbraw/zinc/66/99/63/904669963.db2.gz XPKVWPCFOLESCX-KRWDZBQOSA-N 1 1 382.533 3.655 50 0 GHAAMO Cc1ccsc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cn3ccc(C)cc3n2)C1 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COc1cccc(CN2CCC([NH+]3CCN(c4ccccc4F)CC3)CC2)c1 ZINC000004712134 204068614 /nfs/dbraw/zinc/06/86/14/204068614.db2.gz VPTYAXYESMKUAX-UHFFFAOYSA-N 1 1 383.511 3.621 50 0 GHAAMO CCOCCCNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(C)c3)oc2C)C1 ZINC000005056506 204108812 /nfs/dbraw/zinc/10/88/12/204108812.db2.gz SQDWWQVTFIYKDV-FQEVSTJZSA-N 1 1 399.535 3.713 50 0 GHAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2cccc(Cl)c2)c(OC)c1 ZINC000007741628 204249152 /nfs/dbraw/zinc/24/91/52/204249152.db2.gz NPFDVLVICZDOFU-IBGZPJMESA-N 1 1 388.895 3.811 50 0 GHAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCc2cccc(Cl)c2)c(OC)c1 ZINC000007741628 204249154 /nfs/dbraw/zinc/24/91/54/204249154.db2.gz NPFDVLVICZDOFU-IBGZPJMESA-N 1 1 388.895 3.811 50 0 GHAAMO Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCCO4)nc12 ZINC000007989127 204257709 /nfs/dbraw/zinc/25/77/09/204257709.db2.gz YVPNBDBEUQKYQG-IBGZPJMESA-N 1 1 391.471 3.501 50 0 GHAAMO O=C([C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccccc1)N1CCCCC1 ZINC000008709353 204284604 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395.522 3.680 50 0 GHAAMO C[N@H+](Cc1ccccc1)C[C@H](O)Cn1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000060343652 205180424 /nfs/dbraw/zinc/18/04/24/205180424.db2.gz OOVUAJUBANHHPC-SFHVURJKSA-N 1 1 397.478 3.741 50 0 GHAAMO Cc1cccc(-c2noc(C3CC[NH+](CC(=O)Nc4ccccc4)CC3)n2)c1 ZINC000065184120 205216403 /nfs/dbraw/zinc/21/64/03/205216403.db2.gz IUBZMXHEQITKHX-UHFFFAOYSA-N 1 1 376.460 3.863 50 0 GHAAMO Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000065376103 205231817 /nfs/dbraw/zinc/23/18/17/205231817.db2.gz MRVUZGNSFUILKF-FCHUYYIVSA-N 1 1 377.488 3.502 50 0 GHAAMO c1ncn(-c2ccc(C[N@H+]3CC[C@H](c4ccnc(-c5ccncc5)c4)C3)cc2)n1 ZINC000065370900 205232141 /nfs/dbraw/zinc/23/21/41/205232141.db2.gz LBHOVFUCHZCMLB-NRFANRHFSA-N 1 1 382.471 3.714 50 0 GHAAMO CNC(=O)CC[N@H+]1CCOc2c(O)cc(-c3csc4ccccc34)cc2C1 ZINC000067785796 205260288 /nfs/dbraw/zinc/26/02/88/205260288.db2.gz MSRLXKJAZLTGSL-UHFFFAOYSA-N 1 1 382.485 3.604 50 0 GHAAMO COc1ccc2cc([C@H]3CN(C(=O)c4ccc(C[NH+](C)C)o4)CCO3)ccc2c1 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CC(C)(C)c1cnc(COC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)o1 ZINC000225604673 206060155 /nfs/dbraw/zinc/06/01/55/206060155.db2.gz PSUVPUFAYFYIJO-UHFFFAOYSA-N 1 1 376.363 3.847 50 0 GHAAMO CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299776721 206187874 /nfs/dbraw/zinc/18/78/74/206187874.db2.gz KUWLGMXBBPJFGO-WMQCIHAUSA-N 1 1 392.478 3.886 50 0 GHAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299776721 206187879 /nfs/dbraw/zinc/18/78/79/206187879.db2.gz KUWLGMXBBPJFGO-WMQCIHAUSA-N 1 1 392.478 3.886 50 0 GHAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299776721 206187885 /nfs/dbraw/zinc/18/78/85/206187885.db2.gz KUWLGMXBBPJFGO-WMQCIHAUSA-N 1 1 392.478 3.886 50 0 GHAAMO COc1cc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)cc(OC)c1 ZINC000299781404 206190355 /nfs/dbraw/zinc/19/03/55/206190355.db2.gz WCQCQSZAKRESKK-BDTNDASRSA-N 1 1 380.488 3.546 50 0 GHAAMO O[C@]1(C(F)(F)F)C2=C([NH2+]N1c1nc3ccccc3s1)c1ccccc1OC2 ZINC000005275050 206215991 /nfs/dbraw/zinc/21/59/91/206215991.db2.gz SJANWJHLGDYGHJ-GTNSWQLSSA-N 1 1 391.374 3.780 50 0 GHAAMO CC[N@@H+](CCO)Cc1cn(-c2ccccc2C)nc1-c1ccc(OC)c(F)c1 ZINC000012072456 221147184 /nfs/dbraw/zinc/14/71/84/221147184.db2.gz CREQQIOBJOAIIB-UHFFFAOYSA-N 1 1 383.467 3.810 50 0 GHAAMO Nc1nc(N2CCC[C@H](C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)cc[nH+]1 ZINC000095501304 136179865 /nfs/dbraw/zinc/17/98/65/136179865.db2.gz MGIYXRWTKWIIGD-KRWDZBQOSA-N 1 1 391.450 3.720 50 0 GHAAMO c1cn(Cc2cscn2)c([C@@H]2CCCN(c3cnc4ccccc4n3)C2)[nH+]1 ZINC000095524313 136181468 /nfs/dbraw/zinc/18/14/68/136181468.db2.gz JSSCMMHVXUFESU-OAHLLOKOSA-N 1 1 376.489 3.715 50 0 GHAAMO CCc1cnc(C)nc1N1CCC([N@@H+](C)Cc2ccc3ncccc3c2)CC1 ZINC000095499746 536019588 /nfs/dbraw/zinc/01/95/88/536019588.db2.gz LDKCMUMFMZAYOI-UHFFFAOYSA-N 1 1 375.520 3.996 50 0 GHAAMO CCOC(=O)/C=C/c1ccc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000048065942 570218012 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COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000012881548 570283196 /nfs/dbraw/zinc/28/31/96/570283196.db2.gz LGPXHEHOMZNCAE-LJQANCHMSA-N 1 1 382.460 3.632 50 0 GHAAMO Fc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3ccc4c(c3)CCO4)C2)CC1 ZINC000020906832 570284014 /nfs/dbraw/zinc/28/40/14/570284014.db2.gz LASZIWINTUCKOK-NRFANRHFSA-N 1 1 395.522 3.547 50 0 GHAAMO COc1ccccc1-c1ncc(C[N@H+]2CCCC[C@@H]2CCn2cccn2)cn1 ZINC000216076101 570295562 /nfs/dbraw/zinc/29/55/62/570295562.db2.gz BCEQIZMSUSIRLQ-LJQANCHMSA-N 1 1 377.492 3.794 50 0 GHAAMO COc1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)C(C)(C)C)cn3)CC2)cc1 ZINC000034681843 570300362 /nfs/dbraw/zinc/30/03/62/570300362.db2.gz DISWYNFVIVOWRB-UHFFFAOYSA-N 1 1 396.535 3.787 50 0 GHAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CC[N@@H+](C)[C@@H](CO)C1 ZINC000106946369 570307445 /nfs/dbraw/zinc/30/74/45/570307445.db2.gz ZEBMQXGTNLAZAC-LJQANCHMSA-N 1 1 393.487 3.551 50 0 GHAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CC[N@H+](C)[C@@H](CO)C1 ZINC000106946369 570307448 /nfs/dbraw/zinc/30/74/48/570307448.db2.gz ZEBMQXGTNLAZAC-LJQANCHMSA-N 1 1 393.487 3.551 50 0 GHAAMO C[N@@H+](CCCNC(=O)CCc1ncc(-c2ccccc2)o1)Cc1ccccc1 ZINC000022276650 570311837 /nfs/dbraw/zinc/31/18/37/570311837.db2.gz LSIKDLQLHAMBGT-UHFFFAOYSA-N 1 1 377.488 3.913 50 0 GHAAMO CCN1CC[NH+](C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000022465849 570317911 /nfs/dbraw/zinc/31/79/11/570317911.db2.gz LUUBGZUTYPIZOR-RZTYHALVSA-N 1 1 398.591 3.532 50 0 GHAAMO Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)N4CC[NH+](C)CC4)cc3)sc2c1 ZINC000022794941 570328188 /nfs/dbraw/zinc/32/81/88/570328188.db2.gz OHGOGKWWFPWSMM-MRXNPFEDSA-N 1 1 394.544 3.846 50 0 GHAAMO COC(=O)c1c(C)c2ccccc2nc1CN1CC[NH+](Cc2cccs2)CC1 ZINC000022792677 570328370 /nfs/dbraw/zinc/32/83/70/570328370.db2.gz WYQRWEGDIQYAFE-UHFFFAOYSA-N 1 1 395.528 3.709 50 0 GHAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cnc3n2[C@@H](C)CCC3)c2ccccc2C)CC1 ZINC000034905036 570338913 /nfs/dbraw/zinc/33/89/13/570338913.db2.gz QDUBZTOHPANNGC-PZJWPPBQSA-N 1 1 394.563 3.775 50 0 GHAAMO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)N4CCCCCC4)CC3)cn2)cc1C ZINC000035403518 570350626 /nfs/dbraw/zinc/35/06/26/570350626.db2.gz WDBCKIJAQWRKQF-UHFFFAOYSA-N 1 1 392.547 3.981 50 0 GHAAMO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)N4CCCCCC4)CC3)cn2)cc1C ZINC000035403518 570350628 /nfs/dbraw/zinc/35/06/28/570350628.db2.gz WDBCKIJAQWRKQF-UHFFFAOYSA-N 1 1 392.547 3.981 50 0 GHAAMO O=C(N1CCO[C@@H]2CCCC[C@H]21)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000222173893 570407638 /nfs/dbraw/zinc/40/76/38/570407638.db2.gz RUMQXHSATWOVTG-QWFCFKBJSA-N 1 1 396.453 3.611 50 0 GHAAMO COC(=O)c1c(C[NH+]2CCC(O)CC2)nc2ccccc2c1-c1ccccc1 ZINC000026859111 570429378 /nfs/dbraw/zinc/42/93/78/570429378.db2.gz GKGHDYSALIJXED-UHFFFAOYSA-N 1 1 376.456 3.645 50 0 GHAAMO C[N@@H+]1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)[C@H](c2ccccc2)C1 ZINC000030030595 570485761 /nfs/dbraw/zinc/48/57/61/570485761.db2.gz FXJCCMCRVAEPQB-FQEVSTJZSA-N 1 1 375.472 3.790 50 0 GHAAMO C[N@H+]1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)[C@H](c2ccccc2)C1 ZINC000030030595 570485764 /nfs/dbraw/zinc/48/57/64/570485764.db2.gz FXJCCMCRVAEPQB-FQEVSTJZSA-N 1 1 375.472 3.790 50 0 GHAAMO COc1cc(OC)c(OC)cc1CN1CC[N@H+]2CCC[C@H]2[C@H]1C1CCCCC1 ZINC000584904402 570504862 /nfs/dbraw/zinc/50/48/62/570504862.db2.gz DWGVCDGPCJUNBN-WMZHIEFXSA-N 1 1 388.552 3.941 50 0 GHAAMO OCCOCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000002714786 570509350 /nfs/dbraw/zinc/50/93/50/570509350.db2.gz WOJNRQXALUQOPI-UHFFFAOYSA-N 1 1 392.434 3.647 50 0 GHAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCOCCO)c1 ZINC000002974714 570524367 /nfs/dbraw/zinc/52/43/67/570524367.db2.gz GYADUPCNGOZOPX-UHFFFAOYSA-N 1 1 388.471 3.817 50 0 GHAAMO CC[C@@H](CO)[N@@H+](CCCO[C@@H]1CCOC1)Cc1ccc(Cl)cc1Cl ZINC000072308526 570527062 /nfs/dbraw/zinc/52/70/62/570527062.db2.gz JJASTCMBNUTBMJ-DLBZAZTESA-N 1 1 376.324 3.762 50 0 GHAAMO COC(=O)C1CC[NH+](Cc2cc(=O)oc3cc(-c4ccccc4)c(O)cc23)CC1 ZINC000006669511 570527542 /nfs/dbraw/zinc/52/75/42/570527542.db2.gz HICRSYAROKGHRJ-UHFFFAOYSA-N 1 1 393.439 3.551 50 0 biogenic GHAAMO CC[NH+](CC)CCO[C@H]1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000072309464 570532563 /nfs/dbraw/zinc/53/25/63/570532563.db2.gz UWXCYLVKTQQDTC-QHCPKHFHSA-N 1 1 395.547 3.872 50 0 GHAAMO O[C@@H](COC1CCCC1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022917982 570573266 /nfs/dbraw/zinc/57/32/66/570573266.db2.gz JSOPRIGVHFYVKA-HSZRJFAPSA-N 1 1 394.559 3.714 50 0 GHAAMO CCN1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 ZINC000022918283 570575232 /nfs/dbraw/zinc/57/52/32/570575232.db2.gz ZRKUPALXWBWCIU-LJQANCHMSA-N 1 1 376.585 3.659 50 0 GHAAMO Fc1ccc(-c2cc3ncnc(N4CC[NH+](C[C@@H]5CCCO5)CC4)c3s2)cc1 ZINC000033010804 570623242 /nfs/dbraw/zinc/62/32/42/570623242.db2.gz QQYWOXQHFDXILW-KRWDZBQOSA-N 1 1 398.507 3.798 50 0 GHAAMO Cc1ccccc1NC(=S)N[C@@H](C)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022928326 570631959 /nfs/dbraw/zinc/63/19/59/570631959.db2.gz UIIRGULKCJQLCM-GHTZIAJQSA-N 1 1 382.577 3.659 50 0 GHAAMO O=C(CN1CCC[N@@H+](Cc2ccccc2)CC1)Nc1ccc(Cl)cc1F ZINC000022931844 570658183 /nfs/dbraw/zinc/65/81/83/570658183.db2.gz JBMIDLGHSWVWLJ-UHFFFAOYSA-N 1 1 375.875 3.626 50 0 GHAAMO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2cc(C(C)C)n[nH]2)CC1 ZINC000012431136 570659600 /nfs/dbraw/zinc/65/96/00/570659600.db2.gz QZXKBGBBQYGVSC-UHFFFAOYSA-N 1 1 399.535 3.930 50 0 GHAAMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4ccnc(N)c4)C3)C2)cc1 ZINC000012438563 570662931 /nfs/dbraw/zinc/66/29/31/570662931.db2.gz QGCHWHJBNGXDBG-XMMPIXPASA-N 1 1 392.547 3.916 50 0 GHAAMO CN(C(=O)c1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012440848 570664550 /nfs/dbraw/zinc/66/45/50/570664550.db2.gz MPQFZMNZEVZXJQ-FQEVSTJZSA-N 1 1 380.488 3.585 50 0 GHAAMO O=C(c1ccsc1)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055072097 570681560 /nfs/dbraw/zinc/68/15/60/570681560.db2.gz XEBCYFSBMRHUIV-LJQANCHMSA-N 1 1 389.952 3.828 50 0 GHAAMO Cc1cc(C)c(CN2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1C ZINC000012717949 570705311 /nfs/dbraw/zinc/70/53/11/570705311.db2.gz VSJJCYUNECWJDC-HXUWFJFHSA-N 1 1 383.580 3.567 50 0 GHAAMO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000012789443 570713937 /nfs/dbraw/zinc/71/39/37/570713937.db2.gz KIMPLUBYDXOQCJ-OAHLLOKOSA-N 1 1 388.533 3.733 50 0 GHAAMO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000012789443 570713941 /nfs/dbraw/zinc/71/39/41/570713941.db2.gz KIMPLUBYDXOQCJ-OAHLLOKOSA-N 1 1 388.533 3.733 50 0 GHAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc(Cl)ccc1Cl ZINC000012994752 570738959 /nfs/dbraw/zinc/73/89/59/570738959.db2.gz NGHWDUQQTOWJDF-UHFFFAOYSA-N 1 1 379.287 3.756 50 0 GHAAMO Cc1[nH+]ccn1Cc1cccc(CNC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000032809649 570831890 /nfs/dbraw/zinc/83/18/90/570831890.db2.gz HXUSEKBRRUIRAM-UHFFFAOYSA-N 1 1 388.471 3.518 50 0 GHAAMO Cc1cccc(C)c1N1C(=O)C[C@H]([NH+]2CCC(c3ccc(O)cc3)CC2)C1=O ZINC000014244045 570836586 /nfs/dbraw/zinc/83/65/86/570836586.db2.gz ZWZIALHQPUZPDJ-FQEVSTJZSA-N 1 1 378.472 3.521 50 0 GHAAMO CC(=O)Nc1ccc(NC(=O)[C@@H](C)Nc2ccc([NH+]3CCCC3)c(C)c2)cc1 ZINC000032853711 570854642 /nfs/dbraw/zinc/85/46/42/570854642.db2.gz FEDVAQMPKYECFP-MRXNPFEDSA-N 1 1 380.492 3.993 50 0 GHAAMO Cn1nc(C(=O)NC2CCCC2)c2c1CC[N@H+](Cc1cccc3ccccc31)C2 ZINC000014748926 570858958 /nfs/dbraw/zinc/85/89/58/570858958.db2.gz ABJQRQKJDRFIFT-UHFFFAOYSA-N 1 1 388.515 3.804 50 0 GHAAMO Cn1nc(C(=O)NC2CCCC2)c2c1CC[N@@H+](Cc1cccc3ccccc31)C2 ZINC000014748926 570858960 /nfs/dbraw/zinc/85/89/60/570858960.db2.gz ABJQRQKJDRFIFT-UHFFFAOYSA-N 1 1 388.515 3.804 50 0 GHAAMO CC(C)CC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000014953353 570865765 /nfs/dbraw/zinc/86/57/65/570865765.db2.gz JGLCEJLCRZFCTC-GOSISDBHSA-N 1 1 378.944 3.668 50 0 GHAAMO Cc1ccc(C)c(-n2cc(C[N@H+]3CCC[C@H](C(N)=O)C3)c(-c3ccccc3)n2)c1 ZINC000014959581 570866847 /nfs/dbraw/zinc/86/68/47/570866847.db2.gz NHQOZIPCAIIMKM-FQEVSTJZSA-N 1 1 388.515 3.853 50 0 GHAAMO Cc1csc(SCC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)n1 ZINC000015065835 570875859 /nfs/dbraw/zinc/87/58/59/570875859.db2.gz RYPXFAVXSDUQCB-MRXNPFEDSA-N 1 1 393.553 3.806 50 0 GHAAMO Cc1csc(SCC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)n1 ZINC000015065835 570875861 /nfs/dbraw/zinc/87/58/61/570875861.db2.gz RYPXFAVXSDUQCB-MRXNPFEDSA-N 1 1 393.553 3.806 50 0 GHAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)Cc1cccnc1 ZINC000015066699 570876095 /nfs/dbraw/zinc/87/60/95/570876095.db2.gz CAXKDSLQROFMCV-FQEVSTJZSA-N 1 1 385.939 3.691 50 0 GHAAMO C/C(=C\c1ccccc1)CN1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000015066431 570876134 /nfs/dbraw/zinc/87/61/34/570876134.db2.gz UPMAOAQHLNSNCK-WEIUTZTHSA-N 1 1 381.564 3.545 50 0 GHAAMO Cc1ccc(-n2cc(C[N@@H+](C)C[C@@H]3COCCO3)c(-c3ccc(F)cc3)n2)cc1 ZINC000015072604 570877855 /nfs/dbraw/zinc/87/78/55/570877855.db2.gz MDVIDMYHJLRDQN-JOCHJYFZSA-N 1 1 395.478 3.834 50 0 GHAAMO CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000032909092 570910231 /nfs/dbraw/zinc/91/02/31/570910231.db2.gz OWEWYUVKUZQWHC-NQIIRXRSSA-N 1 1 393.560 3.601 50 0 GHAAMO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000032909092 570910233 /nfs/dbraw/zinc/91/02/33/570910233.db2.gz OWEWYUVKUZQWHC-NQIIRXRSSA-N 1 1 393.560 3.601 50 0 GHAAMO CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000032909092 570910236 /nfs/dbraw/zinc/91/02/36/570910236.db2.gz OWEWYUVKUZQWHC-NQIIRXRSSA-N 1 1 393.560 3.601 50 0 GHAAMO Cc1[nH+]ccn1CCCSc1nnc(CN2CCCC2)n1-c1ccccc1 ZINC000089735710 570910555 /nfs/dbraw/zinc/91/05/55/570910555.db2.gz NGMVJURSRZEGEZ-UHFFFAOYSA-N 1 1 382.537 3.550 50 0 GHAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(F)cc2)c1 ZINC000016352121 570923606 /nfs/dbraw/zinc/92/36/06/570923606.db2.gz ZZKHXHCDNKBOGX-HXUWFJFHSA-N 1 1 386.467 3.638 50 0 GHAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(F)cc2)c1 ZINC000016352121 570923612 /nfs/dbraw/zinc/92/36/12/570923612.db2.gz ZZKHXHCDNKBOGX-HXUWFJFHSA-N 1 1 386.467 3.638 50 0 GHAAMO C[N@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)Cc1ccc2c(c1)OCCO2 ZINC000016381657 570923846 /nfs/dbraw/zinc/92/38/46/570923846.db2.gz SFZIUEAKYBLSPQ-UHFFFAOYSA-N 1 1 382.504 3.717 50 0 GHAAMO C[N@@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)Cc1ccc2c(c1)OCCO2 ZINC000016381657 570923851 /nfs/dbraw/zinc/92/38/51/570923851.db2.gz SFZIUEAKYBLSPQ-UHFFFAOYSA-N 1 1 382.504 3.717 50 0 GHAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)ccn1 ZINC000032931307 570945155 /nfs/dbraw/zinc/94/51/55/570945155.db2.gz REJNFPDNRZFZDR-CQSZACIVSA-N 1 1 384.867 3.621 50 0 GHAAMO O=C(CC[NH+]1CCN(CC(F)(F)F)CC1)Nc1ccccc1-c1ccccc1 ZINC000025682759 570950138 /nfs/dbraw/zinc/95/01/38/570950138.db2.gz JPQWBOREGMHQAD-UHFFFAOYSA-N 1 1 391.437 3.862 50 0 GHAAMO Cc1nccn1CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000019334769 570976138 /nfs/dbraw/zinc/97/61/38/570976138.db2.gz PDMIBAOMMQMBLH-JOCHJYFZSA-N 1 1 382.552 3.561 50 0 GHAAMO C[C@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000108114043 570984034 /nfs/dbraw/zinc/98/40/34/570984034.db2.gz ALKRDWAKXJZOFO-NWBLWUIWSA-N 1 1 384.545 3.828 50 0 GHAAMO [NH3+][C@@H](Cc1ccccc1)c1nnc(SCC(=O)Nc2cccc(Cl)c2)o1 ZINC000002193561 570994983 /nfs/dbraw/zinc/99/49/83/570994983.db2.gz PNSJBYMIDQDWNK-HNNXBMFYSA-N 1 1 388.880 3.696 50 0 GHAAMO COCC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000045974134 571007259 /nfs/dbraw/zinc/00/72/59/571007259.db2.gz XDFFJPNPQWYHFW-UHFFFAOYSA-N 1 1 379.504 3.775 50 0 GHAAMO OCCC[C@@H]1C[N@@H+](Cc2ccccc2-c2ccccc2)CC[C@@H]1N1CCOCC1 ZINC000091586406 571015407 /nfs/dbraw/zinc/01/54/07/571015407.db2.gz FFWYVCGMKDJQCL-NOZRDPDXSA-N 1 1 394.559 3.649 50 0 GHAAMO CC(C)[N@@H+](CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)CC(C)(C)O ZINC000084597236 571025645 /nfs/dbraw/zinc/02/56/45/571025645.db2.gz ZBFDCIRLJQZOAI-UHFFFAOYSA-N 1 1 386.540 3.590 50 0 GHAAMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)s1 ZINC000091829701 571032217 /nfs/dbraw/zinc/03/22/17/571032217.db2.gz AFFGXXLKJJYLBW-OAQYLSRUSA-N 1 1 384.549 3.560 50 0 GHAAMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012780671 571034274 /nfs/dbraw/zinc/03/42/74/571034274.db2.gz TZCRGFPLWDQCHJ-QZTJIDSGSA-N 1 1 395.503 3.681 50 0 GHAAMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012780671 571034278 /nfs/dbraw/zinc/03/42/78/571034278.db2.gz TZCRGFPLWDQCHJ-QZTJIDSGSA-N 1 1 395.503 3.681 50 0 GHAAMO O=C(c1cccc(-n2cccn2)c1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000095362229 571056020 /nfs/dbraw/zinc/05/60/20/571056020.db2.gz FOVKKVJBPOPVGE-NZQKXSOJSA-N 1 1 386.499 3.609 50 0 GHAAMO Cc1c2cc(C)ccc2[nH]c1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000095363491 571057142 /nfs/dbraw/zinc/05/71/42/571057142.db2.gz CBEOOORWSYLALL-AZUAARDMSA-N 1 1 388.515 3.916 50 0 GHAAMO O=C(NCCc1ccccc1C(F)(F)F)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000095364030 571057602 /nfs/dbraw/zinc/05/76/02/571057602.db2.gz YXIKZVHDVURNIU-GOSISDBHSA-N 1 1 377.410 3.596 50 0 GHAAMO CC(C)[NH+]1CCC(CC(=O)NC[C@H](c2ccccc2F)N2CCCC2)CC1 ZINC000095370902 571061264 /nfs/dbraw/zinc/06/12/64/571061264.db2.gz YFQMRBBEXQFTFL-OAQYLSRUSA-N 1 1 375.532 3.589 50 0 GHAAMO CC(C)Cc1ccc(C[N@H+]2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)s1 ZINC000095375542 571064217 /nfs/dbraw/zinc/06/42/17/571064217.db2.gz LUBMWCNJRPJCEC-XMSQKQJNSA-N 1 1 390.593 3.532 50 0 GHAAMO Cn1cccc1C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095379593 571066794 /nfs/dbraw/zinc/06/67/94/571066794.db2.gz JIYBLRLXKGWPFD-HXUWFJFHSA-N 1 1 377.532 3.899 50 0 GHAAMO Cc1ccsc1C[N@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095383659 571069147 /nfs/dbraw/zinc/06/91/47/571069147.db2.gz IMQFVNZLSMUALS-MTNREXPMSA-N 1 1 382.529 3.847 50 0 GHAAMO CCOc1ccc(NC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccn2)C3)cc1 ZINC000095384193 571069539 /nfs/dbraw/zinc/06/95/39/571069539.db2.gz RFVHDCTXLAWRFD-FXAWDEMLSA-N 1 1 380.492 3.609 50 0 GHAAMO CC(C)(C)n1cc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)nn1 ZINC000278471159 835172883 /nfs/dbraw/zinc/17/28/83/835172883.db2.gz HCAQZOUVDBFCFT-UHFFFAOYSA-N 1 1 382.430 3.847 50 0 GHAAMO Fc1ccc(-c2noc(C[NH+]3CCC(OC[C@H]4CCCCO4)CC3)n2)cc1F ZINC000135276499 835900447 /nfs/dbraw/zinc/90/04/47/835900447.db2.gz SNIKFDYUXREDFM-MRXNPFEDSA-N 1 1 393.434 3.565 50 0 GHAAMO Cc1nc(C[NH+]2CCC(C(=O)Nc3ccn(Cc4ccccc4)n3)CC2)cs1 ZINC000170694659 836581629 /nfs/dbraw/zinc/58/16/29/836581629.db2.gz NFQDZVNYEUVJNP-UHFFFAOYSA-N 1 1 395.532 3.547 50 0 GHAAMO COc1ccc(C[N@H+]2C[C@H](COc3ccncc3)C3(C2)CCOCC3)cc1C ZINC000257174027 838683568 /nfs/dbraw/zinc/68/35/68/838683568.db2.gz BKMNLRVBTOLLCH-HXUWFJFHSA-N 1 1 382.504 3.706 50 0 GHAAMO COCCO[C@@H]1C[N@@H+](C2CCN(Cc3cccc(F)c3)CC2)C12CCCCC2 ZINC000257183265 838844166 /nfs/dbraw/zinc/84/41/66/838844166.db2.gz RDSVBPSGJGFQJH-JOCHJYFZSA-N 1 1 390.543 3.840 50 0 GHAAMO O=C(NC1CCCCC1)N1CC(F)(F)C[C@H]1C[N@H+]1CCc2ccccc2C1 ZINC000257192908 838966095 /nfs/dbraw/zinc/96/60/95/838966095.db2.gz WGQDKFYYIGIPAG-IBGZPJMESA-N 1 1 377.479 3.797 50 0 GHAAMO CCOC(=O)[C@]1(CCOC)CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000019742716 839822595 /nfs/dbraw/zinc/82/25/95/839822595.db2.gz FZGSVNSKGOILBX-NRFANRHFSA-N 1 1 388.533 3.992 50 0 GHAAMO CC(C)N(C[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(C)(C)C)C1)C(=O)OC(C)(C)C ZINC000106105270 840633369 /nfs/dbraw/zinc/63/33/69/840633369.db2.gz MCXUXLDQVDDIOT-SJORKVTESA-N 1 1 383.577 3.647 50 0 GHAAMO Cc1nnc([C@H]2CC[N@@H+](CC3CCCCC3)CCN2C(=O)c2ccccc2)[nH]1 ZINC000675012880 840865954 /nfs/dbraw/zinc/86/59/54/840865954.db2.gz FCGGQVHICINSSS-HXUWFJFHSA-N 1 1 381.524 3.583 50 0 GHAAMO Cc1nc([C@H]2CC[N@H+](CC3CCCCC3)CCN2C(=O)c2ccccc2)n[nH]1 ZINC000675012880 840865963 /nfs/dbraw/zinc/86/59/63/840865963.db2.gz FCGGQVHICINSSS-HXUWFJFHSA-N 1 1 381.524 3.583 50 0 GHAAMO Cc1nc([C@H]2CC[N@@H+](CC3CCCCC3)CCN2C(=O)c2ccccc2)n[nH]1 ZINC000675012880 840865970 /nfs/dbraw/zinc/86/59/70/840865970.db2.gz FCGGQVHICINSSS-HXUWFJFHSA-N 1 1 381.524 3.583 50 0 GHAAMO CCc1nc2c(c(O[C@@H]3CCC[N@@H+](Cc4ccc(C)s4)C3)n1)CCOCC2 ZINC000675013056 840866667 /nfs/dbraw/zinc/86/66/67/840866667.db2.gz HBFSBSOXRPDHPY-MRXNPFEDSA-N 1 1 387.549 3.568 50 0 GHAAMO c1cc2c(cccc2C[N@@H+]2CC[C@H](n3cc(COCc4ccccc4)nn3)C2)[nH]1 ZINC000675019744 840898594 /nfs/dbraw/zinc/89/85/94/840898594.db2.gz LQYBFCZDXXSTOG-NRFANRHFSA-N 1 1 387.487 3.923 50 0 GHAAMO Clc1cc(Cl)cc(OCC[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000120358145 862741480 /nfs/dbraw/zinc/74/14/80/862741480.db2.gz YNYRBGCYFPFTCX-ZDUSSCGKSA-N 1 1 381.307 3.790 50 0 GHAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](C)C[C@@H](O)c4ccc(O)cc4)[C@H]3C=C12 ZINC000004073811 862754916 /nfs/dbraw/zinc/75/49/16/862754916.db2.gz UIYOCYWELGJUCX-GZOJSBRPSA-N 1 1 399.531 3.672 50 0 biogenic GHAAMO CCCC[N@@H+](CC)CCCNC(=O)c1nn(C)c2c1CSc1ccccc1-2 ZINC000008587820 856275743 /nfs/dbraw/zinc/27/57/43/856275743.db2.gz DSJNXOFOXFSXJB-UHFFFAOYSA-N 1 1 386.565 3.935 50 0 GHAAMO COc1ccc(/C=C2/SC(=O)N(C[NH+]3CCCCCC3)C2=O)cc1OC ZINC000027519343 856360132 /nfs/dbraw/zinc/36/01/32/856360132.db2.gz MRZHIVXEOWCCAH-SFQUDFHCSA-N 1 1 376.478 3.574 50 0 GHAAMO COc1cc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3C)C2)cc(OC)c1O ZINC000015077841 856603000 /nfs/dbraw/zinc/60/30/00/856603000.db2.gz QXMZHVVTVJENFW-HSZRJFAPSA-N 1 1 385.504 3.535 50 0 GHAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccsc1 ZINC000008896829 856640154 /nfs/dbraw/zinc/64/01/54/856640154.db2.gz LVWBDYOSUPEQHF-HXUWFJFHSA-N 1 1 386.542 3.996 50 0 GHAAMO O=S(=O)(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)c1ccccc1F ZINC000008901185 856641129 /nfs/dbraw/zinc/64/11/29/856641129.db2.gz RBOSZUHRRVJJRV-KRWDZBQOSA-N 1 1 382.526 3.783 50 0 GHAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)c(C)c1 ZINC000009071546 856754226 /nfs/dbraw/zinc/75/42/26/856754226.db2.gz VEANQVXYKOVGOX-UHFFFAOYSA-N 1 1 391.515 3.543 50 0 GHAAMO Cc1cc(C)n(-c2ccc(C(=O)NC3CCN(c4ccc(C)c[nH+]4)CC3)cc2)n1 ZINC000157769695 857274009 /nfs/dbraw/zinc/27/40/09/857274009.db2.gz YSTUUQHGSMSPQO-UHFFFAOYSA-N 1 1 389.503 3.591 50 0 GHAAMO CN(C)c1ncc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)s1 ZINC000011813775 857420779 /nfs/dbraw/zinc/42/07/79/857420779.db2.gz WNGOWSCXZAGVPR-OAQYLSRUSA-N 1 1 388.556 3.836 50 0 GHAAMO CN(C)c1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)cc2)C3)s1 ZINC000011813775 857420784 /nfs/dbraw/zinc/42/07/84/857420784.db2.gz WNGOWSCXZAGVPR-OAQYLSRUSA-N 1 1 388.556 3.836 50 0 GHAAMO CN(C)c1ncc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)cc2)C3)s1 ZINC000011813775 857420789 /nfs/dbraw/zinc/42/07/89/857420789.db2.gz WNGOWSCXZAGVPR-OAQYLSRUSA-N 1 1 388.556 3.836 50 0 GHAAMO COc1cccc2ccc(C[N@H+]3CCC[C@H](CCC(=O)N4CCCC4)C3)nc21 ZINC000012074513 858796366 /nfs/dbraw/zinc/79/63/66/858796366.db2.gz UJVOKASPGHIARF-GOSISDBHSA-N 1 1 381.520 3.858 50 0 GHAAMO CN(C)c1ncc(C[N@H+]2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)s1 ZINC000012701911 859527827 /nfs/dbraw/zinc/52/78/27/859527827.db2.gz AVWQOUDJUMTIIT-LJQANCHMSA-N 1 1 379.957 3.680 50 0 GHAAMO COCc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)o1 ZINC000012305639 859843459 /nfs/dbraw/zinc/84/34/59/859843459.db2.gz NXBYBMSHUAEHHB-QGZVFWFLSA-N 1 1 394.475 3.667 50 0 GHAAMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(COc3ccc(F)cc3)o2)C1 ZINC000095448275 860584441 /nfs/dbraw/zinc/58/44/41/860584441.db2.gz RGUKOPCUGJZQRD-LEWJYISDSA-N 1 1 394.446 3.825 50 0 GHAAMO CCn1c2ccccc2nc1CN1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000095453787 860588203 /nfs/dbraw/zinc/58/82/03/860588203.db2.gz IIGHFNNUAKUUMC-UHFFFAOYSA-N 1 1 378.520 3.773 50 0 GHAAMO COc1ccccc1NC(=O)NCc1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020927106 860674704 /nfs/dbraw/zinc/67/47/04/860674704.db2.gz WBKIKYQIGRNXIV-UHFFFAOYSA-N 1 1 396.516 3.857 50 0 GHAAMO COc1ccc(NC(=O)C[NH2+][C@H](C)c2nc(-c3cccnc3)cs2)cc1OC ZINC000095941311 860709521 /nfs/dbraw/zinc/70/95/21/860709521.db2.gz VXXLDCCDYJLBQL-CYBMUJFWSA-N 1 1 398.488 3.512 50 0 GHAAMO CCOC(=O)c1ccc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)cc1 ZINC000021175464 860733729 /nfs/dbraw/zinc/73/37/29/860733729.db2.gz XKSMUWRCPVVSHH-LJQANCHMSA-N 1 1 395.503 3.815 50 0 GHAAMO CCOc1nc(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)co1 ZINC000096013695 860749461 /nfs/dbraw/zinc/74/94/61/860749461.db2.gz HMYOYDZRVWSBAD-UHFFFAOYSA-N 1 1 383.492 3.734 50 0 GHAAMO CCOC(=O)NCCC[NH+]1CCN(c2ccccc2S[C@H](C)CC)CC1 ZINC000096026661 860758563 /nfs/dbraw/zinc/75/85/63/860758563.db2.gz BZGJLJXHIPJUBS-QGZVFWFLSA-N 1 1 379.570 3.835 50 0 GHAAMO C[C@H](NC(=O)c1cccc(Cl)c1)[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000022460000 861125737 /nfs/dbraw/zinc/12/57/37/861125737.db2.gz CBSHKRGBEYFKGH-KSSFIOAISA-N 1 1 377.941 3.509 50 0 GHAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccc(C)c(C)c2)CC1 ZINC000022460125 861125997 /nfs/dbraw/zinc/12/59/97/861125997.db2.gz CZMIZBYRPHMXEY-GHTZIAJQSA-N 1 1 385.577 3.862 50 0 GHAAMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000173822009 865118093 /nfs/dbraw/zinc/11/80/93/865118093.db2.gz JTQVKFBTDOGAMB-CQSZACIVSA-N 1 1 395.334 3.983 50 0 GHAAMO O=C(CCc1ccccc1F)Nc1ccc(NC(=O)C[NH+]2CCCCC2)cc1 ZINC000828052290 865175442 /nfs/dbraw/zinc/17/54/42/865175442.db2.gz QWYORSRTOWVQTF-UHFFFAOYSA-N 1 1 383.467 3.821 50 0 GHAAMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)C1 ZINC000174530024 865871362 /nfs/dbraw/zinc/87/13/62/865871362.db2.gz QJUWAHRRZMISQM-INIZCTEOSA-N 1 1 397.567 3.786 50 0 GHAAMO COc1cccc(C[N@H+]2CC[C@H](n3c(C)cnc3C3CCOCC3)C2)c1OC ZINC000575548819 866189091 /nfs/dbraw/zinc/18/90/91/866189091.db2.gz KAIHEDSUPKTHIU-IBGZPJMESA-N 1 1 385.508 3.550 50 0 GHAAMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C)c1ccc(Br)cc1 ZINC000007855174 878493156 /nfs/dbraw/zinc/49/31/56/878493156.db2.gz QJRPFHQCEHYAEL-RDTXWAMCSA-N 1 1 390.325 3.802 50 0 GHAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1c1cccn1C)c1ccc(Br)cc1 ZINC000007855174 878493160 /nfs/dbraw/zinc/49/31/60/878493160.db2.gz QJRPFHQCEHYAEL-RDTXWAMCSA-N 1 1 390.325 3.802 50 0 GHAAMO CNc1nc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)cs1 ZINC000095523213 913507373 /nfs/dbraw/zinc/50/73/73/913507373.db2.gz XJLILJKQYDLOHH-HNNXBMFYSA-N 1 1 390.528 3.633 50 0 GHAAMO CNc1nc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)cs1 ZINC000095523213 913507386 /nfs/dbraw/zinc/50/73/86/913507386.db2.gz XJLILJKQYDLOHH-HNNXBMFYSA-N 1 1 390.528 3.633 50 0 GHAAMO CCC[N@@H+](Cc1cn(C(C)(C)C)nn1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000191292295 892414303 /nfs/dbraw/zinc/41/43/03/892414303.db2.gz MRNPMXVXLHUAAZ-UHFFFAOYSA-N 1 1 383.540 3.550 50 0 GHAAMO COCCN1CC[C@H](C[N@@H+](C)C2CCN(c3ccc(C)c(Cl)c3)CC2)C1 ZINC000952982212 904668194 /nfs/dbraw/zinc/66/81/94/904668194.db2.gz QRIIULMHHBMLRC-GOSISDBHSA-N 1 1 379.976 3.517 50 0 GHAAMO C[C@H](NC(=O)C[N@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccc2ccccc2c1 ZINC000246136021 910124573 /nfs/dbraw/zinc/12/45/73/910124573.db2.gz NEEUMOFYXRONNE-OALUTQOASA-N 1 1 388.515 3.846 50 0 GHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)/C=C\c2ccccc2OC(F)F)CC1 ZINC000096936760 915223145 /nfs/dbraw/zinc/22/31/45/915223145.db2.gz UCTJTGWJDRTYTN-KHPPLWFESA-N 1 1 386.442 3.954 50 0 GHAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)CC1 ZINC000013593480 919326380 /nfs/dbraw/zinc/32/63/80/919326380.db2.gz HNJSDBNMZFGVGI-NRFANRHFSA-N 1 1 394.943 3.578 50 0 GHAAMO COc1ccc(-c2nc(C[N@@H+](C[C@H]3CCC(=O)N3)C(C)C)c(C)o2)c(C)c1C ZINC000013593142 919327026 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381.451 3.908 50 0 GHAAMO COc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(C)s3)C2)c1OC ZINC000012193492 204381298 /nfs/dbraw/zinc/38/12/98/204381298.db2.gz JSPGABGYOOZCAZ-INIZCTEOSA-N 1 1 388.533 3.716 50 0 GHAAMO Cc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)n2)cc1 ZINC000012284529 204389572 /nfs/dbraw/zinc/38/95/72/204389572.db2.gz IFBDJYJQSDVTEY-GOSISDBHSA-N 1 1 376.460 3.896 50 0 GHAAMO Cc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)n2)cc1 ZINC000012284529 204389577 /nfs/dbraw/zinc/38/95/77/204389577.db2.gz IFBDJYJQSDVTEY-GOSISDBHSA-N 1 1 376.460 3.896 50 0 GHAAMO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)CN(C)C)C2CCCC2)CC1 ZINC000012297869 204391525 /nfs/dbraw/zinc/39/15/25/204391525.db2.gz XSJMHIYPLNDICQ-UHFFFAOYSA-N 1 1 385.596 3.582 50 0 GHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)/C=C/c2cccnc2)C1 ZINC000012303687 204392331 /nfs/dbraw/zinc/39/23/31/204392331.db2.gz CWPXTSICQPIHGV-VDZCTEQFSA-N 1 1 377.532 3.816 50 0 GHAAMO COc1cc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2ccccn2)cc(OC)c1OC 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382.479 3.915 50 0 GHAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccn1C)Cc1ccc(F)cc1 ZINC000036099085 205006546 /nfs/dbraw/zinc/00/65/46/205006546.db2.gz TYGBONDTFSBRDO-QFIPXVFZSA-N 1 1 382.479 3.915 50 0 GHAAMO COc1ccc(C[NH2+][C@H](C(=O)NC(C)C)c2ccccc2)cc1OC(F)F ZINC000056144099 205152216 /nfs/dbraw/zinc/15/22/16/205152216.db2.gz BSIMLKHZBACFAG-SFHVURJKSA-N 1 1 378.419 3.652 50 0 GHAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccccc2C(F)(F)F)cn1 ZINC000056532053 205152507 /nfs/dbraw/zinc/15/25/07/205152507.db2.gz FYPDOROUCBIINA-UHFFFAOYSA-N 1 1 375.354 3.916 50 0 GHAAMO Cc1cccc(CN2CC[NH+](Cc3cc(=O)n4c5c(cccc35)CCC4)CC2)c1 ZINC000063857474 205187289 /nfs/dbraw/zinc/18/72/89/205187289.db2.gz XFKHKEHBXCQLLZ-UHFFFAOYSA-N 1 1 387.527 3.574 50 0 GHAAMO Cc1csc2nc(C[NH+]3CCC(Oc4cccc(C)c4C)CC3)cc(=O)n12 ZINC000058079772 205164400 /nfs/dbraw/zinc/16/44/00/205164400.db2.gz UEFFJNBAOOWTMB-UHFFFAOYSA-N 1 1 383.517 3.725 50 0 GHAAMO COc1ccccc1[C@H](CNCc1csc(-c2ncccn2)n1)[NH+]1CCCC1 ZINC000058202612 205168746 /nfs/dbraw/zinc/16/87/46/205168746.db2.gz QHSWUBLNFKGTAU-SFHVURJKSA-N 1 1 395.532 3.535 50 0 GHAAMO COc1ccc([C@@H](C)NC(=O)C2=CC[N@@H+](Cc3ccc(F)cc3)CC2)cc1OC ZINC000064818063 205196443 /nfs/dbraw/zinc/19/64/43/205196443.db2.gz ONILOBOLDPFHBQ-MRXNPFEDSA-N 1 1 398.478 3.852 50 0 GHAAMO CC[N@@H+](Cc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1)C1CCOCC1 ZINC000065427025 205235112 /nfs/dbraw/zinc/23/51/12/205235112.db2.gz VLJMEMIVTWQFDV-UHFFFAOYSA-N 1 1 382.460 3.669 50 0 GHAAMO O=C(CCCCc1ccc(Br)cc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000065613533 205239990 /nfs/dbraw/zinc/23/99/90/205239990.db2.gz JBZNGGPHYGITPM-GOSISDBHSA-N 1 1 379.342 3.859 50 0 GHAAMO Clc1ccccc1Cc1noc(C[N@@H+]2CCCC[C@H]2CCn2ccnc2)n1 ZINC000067678387 205255204 /nfs/dbraw/zinc/25/52/04/205255204.db2.gz AXFVPILXFDUDKV-KRWDZBQOSA-N 1 1 385.899 3.955 50 0 GHAAMO Clc1ccccc1Cc1noc(C[N@H+]2CCCC[C@H]2CCn2ccnc2)n1 ZINC000067678387 205255205 /nfs/dbraw/zinc/25/52/05/205255205.db2.gz AXFVPILXFDUDKV-KRWDZBQOSA-N 1 1 385.899 3.955 50 0 GHAAMO Cc1nn(C)c(C)c1C[N@H+](C)Cc1cccc(C(=O)Nc2c(C)noc2C)c1 ZINC000067755130 205258077 /nfs/dbraw/zinc/25/80/77/205258077.db2.gz HVFLEQDHOYMTDO-UHFFFAOYSA-N 1 1 381.480 3.526 50 0 GHAAMO Cc1nn(C)c(C)c1C[N@@H+](C)Cc1cccc(C(=O)Nc2c(C)noc2C)c1 ZINC000067755130 205258081 /nfs/dbraw/zinc/25/80/81/205258081.db2.gz HVFLEQDHOYMTDO-UHFFFAOYSA-N 1 1 381.480 3.526 50 0 GHAAMO c1n[nH]cc1CC[N@H+]1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067934666 205267897 /nfs/dbraw/zinc/26/78/97/205267897.db2.gz OEVOJFMPYPVIEG-UHFFFAOYSA-N 1 1 383.499 3.914 50 0 GHAAMO c1n[nH]cc1CC[N@@H+]1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067934666 205267901 /nfs/dbraw/zinc/26/79/01/205267901.db2.gz OEVOJFMPYPVIEG-UHFFFAOYSA-N 1 1 383.499 3.914 50 0 GHAAMO c1n[nH]cc1CC[N@H+]1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067934666 205267906 /nfs/dbraw/zinc/26/79/06/205267906.db2.gz OEVOJFMPYPVIEG-UHFFFAOYSA-N 1 1 383.499 3.914 50 0 GHAAMO CC(C)c1ccc(CN2CCC[C@@](O)(C[N@@H+](C)CCc3ccccc3)C2=O)cc1 ZINC000067964996 205270186 /nfs/dbraw/zinc/27/01/86/205270186.db2.gz FBDJCLADFZEACW-RUZDIDTESA-N 1 1 394.559 3.838 50 0 GHAAMO CC(C)[C@H]1CN(C(=O)CCc2cccnc2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071662330 205285755 /nfs/dbraw/zinc/28/57/55/205285755.db2.gz LFANDJFNPXWMQU-JOCHJYFZSA-N 1 1 383.511 3.912 50 0 GHAAMO CC(=O)c1ccccc1-c1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cn1 ZINC000071762535 205295432 /nfs/dbraw/zinc/29/54/32/205295432.db2.gz LWQYSMSNAGGCIX-SFHVURJKSA-N 1 1 379.504 3.659 50 0 GHAAMO COc1ccc(OC)c2nc(-c3cccc(C)c3)c(C[N@H+]3CC[C@@H](O)C3)cc12 ZINC000072447873 205352197 /nfs/dbraw/zinc/35/21/97/205352197.db2.gz JWJLVHJWRIHNHX-GOSISDBHSA-N 1 1 378.472 3.794 50 0 GHAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)CC2(CO)CC2)c(F)c1 ZINC000072463281 205352936 /nfs/dbraw/zinc/35/29/36/205352936.db2.gz JXLQUJCLRMMNMV-UHFFFAOYSA-N 1 1 395.478 3.891 50 0 GHAAMO C[C@@H](C1CCN(Cc2c(Cl)ccc(O)c2Cl)CC1)[NH+]1CCN(C)CC1 ZINC000077379993 205361043 /nfs/dbraw/zinc/36/10/43/205361043.db2.gz DISOOEIKLCEZMN-AWEZNQCLSA-N 1 1 386.367 3.547 50 0 GHAAMO Cc1nn(C)c(C)c1C[N@@H+](C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000072405812 205345293 /nfs/dbraw/zinc/34/52/93/205345293.db2.gz IKLTZQSZFSWWRV-NRFANRHFSA-N 1 1 379.504 3.576 50 0 GHAAMO O=C(CCCn1ccnc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000072407487 205345916 /nfs/dbraw/zinc/34/59/16/205345916.db2.gz WCTAATFRBBLXCL-UHFFFAOYSA-N 1 1 388.515 3.597 50 0 GHAAMO CC(=O)N[C@H]1CC[N@@H+](Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)C1 ZINC000072421917 205348149 /nfs/dbraw/zinc/34/81/49/205348149.db2.gz GQSBBWNJADUNAE-QFIPXVFZSA-N 1 1 388.515 3.867 50 0 GHAAMO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000008532436 205796212 /nfs/dbraw/zinc/79/62/12/205796212.db2.gz GIFPENRIQYBZAL-OAHLLOKOSA-N 1 1 378.875 3.537 50 0 GHAAMO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000008532436 205796220 /nfs/dbraw/zinc/79/62/20/205796220.db2.gz GIFPENRIQYBZAL-OAHLLOKOSA-N 1 1 378.875 3.537 50 0 GHAAMO CCN1CC[NH+]([C@H](C)CNc2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000059389314 206101478 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3.605 50 0 GHAAMO Cc1nc2cc(NC(=O)NCC[N@H+]3CC[C@H](c4ccccc4C)C3)ccc2[nH]1 ZINC000299781346 206191030 /nfs/dbraw/zinc/19/10/30/206191030.db2.gz DJIIRFWNHKZJEJ-KRWDZBQOSA-N 1 1 377.492 3.791 50 0 GHAAMO Cc1nc2ccc(NC(=O)NCC[N@@H+]3CC[C@H](c4ccccc4C)C3)cc2[nH]1 ZINC000299781346 206191033 /nfs/dbraw/zinc/19/10/33/206191033.db2.gz DJIIRFWNHKZJEJ-KRWDZBQOSA-N 1 1 377.492 3.791 50 0 GHAAMO Cc1nc2ccc(NC(=O)NCC[N@H+]3CC[C@H](c4ccccc4C)C3)cc2[nH]1 ZINC000299781346 206191038 /nfs/dbraw/zinc/19/10/38/206191038.db2.gz DJIIRFWNHKZJEJ-KRWDZBQOSA-N 1 1 377.492 3.791 50 0 GHAAMO Cc1ccccc1N1CCC(N2CC[N@@H+](CC3CCCCC3)[C@H](CCO)C2)CC1 ZINC000039518718 132391511 /nfs/dbraw/zinc/39/15/11/132391511.db2.gz NPVHLOSQQNDKQS-XMMPIXPASA-N 1 1 399.623 3.913 50 0 GHAAMO Clc1ccccc1C[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058147247 136154563 /nfs/dbraw/zinc/15/45/63/136154563.db2.gz SLWBFRHRLFTEAH-LJQANCHMSA-N 1 1 384.955 3.769 50 0 GHAAMO Clc1ccccc1C[N@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058147247 136154564 /nfs/dbraw/zinc/15/45/64/136154564.db2.gz SLWBFRHRLFTEAH-LJQANCHMSA-N 1 1 384.955 3.769 50 0 GHAAMO CSCc1ccc(N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)nc1 ZINC000095515346 136180838 /nfs/dbraw/zinc/18/08/38/136180838.db2.gz TVCAZVMDYHABKA-UHFFFAOYSA-N 1 1 379.533 3.968 50 0 GHAAMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(C(=O)Nc3nc(C)n(C)n3)s2)o1 ZINC000023505650 524450173 /nfs/dbraw/zinc/45/01/73/524450173.db2.gz JANCPOLECSKMRJ-OAHLLOKOSA-N 1 1 385.493 3.676 50 0 GHAAMO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(C(=O)Nc3nc(C)n(C)n3)s2)o1 ZINC000023505650 524450184 /nfs/dbraw/zinc/45/01/84/524450184.db2.gz JANCPOLECSKMRJ-OAHLLOKOSA-N 1 1 385.493 3.676 50 0 GHAAMO CCCc1nc(C)cc(-c2ccc(C(=O)NCCn3c[nH+]c(C)c3C)cc2)n1 ZINC000426571837 528743379 /nfs/dbraw/zinc/74/33/79/528743379.db2.gz UCYILNOBVMIXHV-UHFFFAOYSA-N 1 1 377.492 3.648 50 0 GHAAMO Cc1ccc(NCCCNC(=O)Nc2cccc(N3C(=O)CC[C@H]3C)c2)[nH+]c1 ZINC000096131586 570211248 /nfs/dbraw/zinc/21/12/48/570211248.db2.gz FFAYXJKEVGQGLL-MRXNPFEDSA-N 1 1 381.480 3.529 50 0 GHAAMO Cc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)CC1 ZINC000019740989 570212372 /nfs/dbraw/zinc/21/23/72/570212372.db2.gz UOMUYDRMVLCCJD-OAQYLSRUSA-N 1 1 393.531 3.510 50 0 GHAAMO Cc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3cccc4c3OCO4)C2)CC1 ZINC000019740989 570212374 /nfs/dbraw/zinc/21/23/74/570212374.db2.gz UOMUYDRMVLCCJD-OAQYLSRUSA-N 1 1 393.531 3.510 50 0 GHAAMO O=C(Nc1cccc2c[nH]nc21)NC1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000096180855 570218752 /nfs/dbraw/zinc/21/87/52/570218752.db2.gz IKEBCNQCYPXQPO-UHFFFAOYSA-N 1 1 385.418 3.627 50 0 GHAAMO COc1ccc(C[N@H+]2CCN(Cc3ccccc3F)C[C@H]2CCO)c(C)c1C ZINC000104410580 570257972 /nfs/dbraw/zinc/25/79/72/570257972.db2.gz CAAQGCGRGYLDNN-OAQYLSRUSA-N 1 1 386.511 3.520 50 0 GHAAMO OCC[C@@H]1CN(Cc2c[nH]nc2C2CCCCC2)CC[N@@H+]1Cc1ccsc1 ZINC000020472505 570261108 /nfs/dbraw/zinc/26/11/08/570261108.db2.gz HBYYXMYWPYDTHO-HXUWFJFHSA-N 1 1 388.581 3.588 50 0 GHAAMO OCC[C@@H]1CN(Cc2c[nH]nc2C2CCCCC2)CC[N@H+]1Cc1ccsc1 ZINC000020472505 570261111 /nfs/dbraw/zinc/26/11/11/570261111.db2.gz HBYYXMYWPYDTHO-HXUWFJFHSA-N 1 1 388.581 3.588 50 0 GHAAMO CC(=O)N1CCC([N@H+]2CCO[C@@H](CC(c3ccccc3)c3ccccc3)C2)CC1 ZINC000020599468 570269625 /nfs/dbraw/zinc/26/96/25/570269625.db2.gz WWEUXGIOKMJUGD-DEOSSOPVSA-N 1 1 392.543 3.920 50 0 GHAAMO Cc1ccc(CN2CC[N@@H+](Cc3ccccc3-c3ccco3)C[C@@H]2CCO)o1 ZINC000020908878 570284173 /nfs/dbraw/zinc/28/41/73/570284173.db2.gz YGCIICQNESNBAB-FQEVSTJZSA-N 1 1 380.488 3.917 50 0 GHAAMO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[N@H+]1C1CCCC1 ZINC000020994930 570286370 /nfs/dbraw/zinc/28/63/70/570286370.db2.gz BYLUDKJSZCVCPD-HXUWFJFHSA-N 1 1 388.943 3.541 50 0 GHAAMO COc1cc(Nc2ncc3c(n2)CC[N@H+](CCc2ccccc2)C3)cc(OC)c1 ZINC000021038739 570287787 /nfs/dbraw/zinc/28/77/87/570287787.db2.gz PPJPVVRMUGMLJX-UHFFFAOYSA-N 1 1 390.487 3.838 50 0 GHAAMO CCOC(=O)c1sc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(OC)cc2)cc1C ZINC000012911256 570291482 /nfs/dbraw/zinc/29/14/82/570291482.db2.gz DXCQFPQBUFGOAC-AWEZNQCLSA-N 1 1 390.505 3.873 50 0 GHAAMO CCOC(=O)c1sc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(OC)cc2)cc1C ZINC000012911256 570291483 /nfs/dbraw/zinc/29/14/83/570291483.db2.gz DXCQFPQBUFGOAC-AWEZNQCLSA-N 1 1 390.505 3.873 50 0 GHAAMO CSc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000012917478 570293846 /nfs/dbraw/zinc/29/38/46/570293846.db2.gz STABJFPXRYHSHA-HNNXBMFYSA-N 1 1 381.505 3.621 50 0 GHAAMO CSc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000012917478 570293849 /nfs/dbraw/zinc/29/38/49/570293849.db2.gz STABJFPXRYHSHA-HNNXBMFYSA-N 1 1 381.505 3.621 50 0 GHAAMO O=C(Cc1csc(-c2ccc(F)cc2)n1)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000012296496 570293915 /nfs/dbraw/zinc/29/39/15/570293915.db2.gz LWRUYEAZPSHWLD-QFBILLFUSA-N 1 1 387.524 3.872 50 0 biogenic GHAAMO O=C(CCCc1c[nH]c2ccccc12)N1CC[NH+](CCc2ccccc2)CC1 ZINC000021973138 570300766 /nfs/dbraw/zinc/30/07/66/570300766.db2.gz SUBFMZZODVWCDQ-UHFFFAOYSA-N 1 1 375.516 3.878 50 0 GHAAMO O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000023386870 570322509 /nfs/dbraw/zinc/32/25/09/570322509.db2.gz TVWMYADLFULZIH-HNNXBMFYSA-N 1 1 399.293 3.694 50 0 GHAAMO CCCc1ccc([C@@H](C)NC(=O)CN2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000022751892 570326363 /nfs/dbraw/zinc/32/63/63/570326363.db2.gz ZHXLPPGGTQDDKS-OAQYLSRUSA-N 1 1 393.575 3.943 50 0 GHAAMO COC1CC[NH+](C2CN(C(=O)c3cccc(Oc4ccc(F)cc4)c3)C2)CC1 ZINC000575610991 570335051 /nfs/dbraw/zinc/33/50/51/570335051.db2.gz RCDWVKUEMIAVQS-UHFFFAOYSA-N 1 1 384.451 3.553 50 0 GHAAMO O=C(CC[NH+]1CCN(Cc2ccco2)CC1)Nc1c(Cl)cccc1Cl ZINC000022931068 570337039 /nfs/dbraw/zinc/33/70/39/570337039.db2.gz SMPBQGIQMKBBEH-UHFFFAOYSA-N 1 1 382.291 3.733 50 0 GHAAMO OCC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000022932876 570337833 /nfs/dbraw/zinc/33/78/33/570337833.db2.gz YMRPHPHFMFXLRO-FQEVSTJZSA-N 1 1 378.438 3.774 50 0 GHAAMO OCC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CCN1Cc1ccccc1 ZINC000022932876 570337835 /nfs/dbraw/zinc/33/78/35/570337835.db2.gz YMRPHPHFMFXLRO-FQEVSTJZSA-N 1 1 378.438 3.774 50 0 GHAAMO OCC[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CCN1Cc1ccccc1 ZINC000022932876 570337839 /nfs/dbraw/zinc/33/78/39/570337839.db2.gz YMRPHPHFMFXLRO-FQEVSTJZSA-N 1 1 378.438 3.774 50 0 GHAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000023145786 570346817 /nfs/dbraw/zinc/34/68/17/570346817.db2.gz QTNGWJSVUNGSQT-FQEVSTJZSA-N 1 1 386.499 3.690 50 0 GHAAMO COc1ccc(C[N@H+]2CCN(Cc3cc4ccccc4[nH]3)C[C@@H]2CCO)cc1C ZINC000023373245 570357765 /nfs/dbraw/zinc/35/77/65/570357765.db2.gz MYXCUYMCVKJICQ-QFIPXVFZSA-N 1 1 393.531 3.554 50 0 GHAAMO COc1ccc(/C=C/CN2CC[N@@H+](CCCc3ccccc3)[C@@H](CCO)C2)cc1 ZINC000023375291 570359136 /nfs/dbraw/zinc/35/91/36/570359136.db2.gz GDZSYMLFPVVJAK-LUAJHVPRSA-N 1 1 394.559 3.710 50 0 GHAAMO NC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(Oc3ncccn3)c2)s1 ZINC000023543778 570365034 /nfs/dbraw/zinc/36/50/34/570365034.db2.gz HCHJDTCUDODSCM-INIZCTEOSA-N 1 1 380.473 3.766 50 0 GHAAMO NC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2cccc(Oc3ncccn3)c2)s1 ZINC000023543778 570365038 /nfs/dbraw/zinc/36/50/38/570365038.db2.gz HCHJDTCUDODSCM-INIZCTEOSA-N 1 1 380.473 3.766 50 0 GHAAMO c1ccc(-n2nnnc2C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000023937011 570375518 /nfs/dbraw/zinc/37/55/18/570375518.db2.gz DSYOBWFCBITEJB-OAHLLOKOSA-N 1 1 376.489 3.652 50 0 GHAAMO c1ccc(-n2nnnc2C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000023937011 570375519 /nfs/dbraw/zinc/37/55/19/570375519.db2.gz DSYOBWFCBITEJB-OAHLLOKOSA-N 1 1 376.489 3.652 50 0 GHAAMO Cc1[nH+]ccn1Cc1cccc(CNS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000024687697 570389980 /nfs/dbraw/zinc/38/99/80/570389980.db2.gz DNGQDBIAURKWQU-UHFFFAOYSA-N 1 1 391.496 3.872 50 0 GHAAMO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(F)cc2F)n(-c2ccc(F)cc2)n1 ZINC000024768271 570392504 /nfs/dbraw/zinc/39/25/04/570392504.db2.gz TUKDCMSWXQRGIR-ZDUSSCGKSA-N 1 1 388.393 3.887 50 0 GHAAMO COc1ccc(CC[N@@H+](C)C[C@@H](O)CO[C@H]2CCCc3ccccc32)cc1OC ZINC000241965571 570431731 /nfs/dbraw/zinc/43/17/31/570431731.db2.gz UTXJDGSIRZYDJO-IRLDBZIGSA-N 1 1 399.531 3.633 50 0 GHAAMO CCCCOc1cccc(C(=O)NCC2(N3CC[NH+](C)CC3)CCCCC2)c1 ZINC000027663363 570438789 /nfs/dbraw/zinc/43/87/89/570438789.db2.gz XWBIUTJKHFMQPQ-UHFFFAOYSA-N 1 1 387.568 3.546 50 0 GHAAMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cnc4ccc(C)cn34)C2)cc1 ZINC000092708923 570438778 /nfs/dbraw/zinc/43/87/78/570438778.db2.gz HJOMVRDYZNYWOU-LJQANCHMSA-N 1 1 391.519 3.985 50 0 GHAAMO C[NH+](C)[C@@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)c1cccs1 ZINC000027677275 570440376 /nfs/dbraw/zinc/44/03/76/570440376.db2.gz SCWDTFGBFAZEFY-ZDUSSCGKSA-N 1 1 376.865 3.541 50 0 GHAAMO O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@H](c3ccc4ccccc4n3)[C@H]2C(=O)N1c1ccccc1 ZINC000247748729 570440521 /nfs/dbraw/zinc/44/05/21/570440521.db2.gz RKOONEMLJYTHIL-MYGLTJDJSA-N 1 1 383.451 3.560 50 0 GHAAMO CSc1ccc(Cl)c(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000029969348 570483909 /nfs/dbraw/zinc/48/39/09/570483909.db2.gz JUPMRJXPWFDWBQ-UHFFFAOYSA-N 1 1 382.957 3.827 50 0 GHAAMO O=C(NCCC1=CCCCC1)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955292 570502380 /nfs/dbraw/zinc/50/23/80/570502380.db2.gz VOKSZCJGHRRWMR-UHFFFAOYSA-N 1 1 394.519 3.955 50 0 GHAAMO CSc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](C(C)C)C3)c1 ZINC000005222622 570516678 /nfs/dbraw/zinc/51/66/78/570516678.db2.gz NYXOROCHILLODS-UHFFFAOYSA-N 1 1 389.546 3.588 50 0 GHAAMO CSc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](C(C)C)C3)c1 ZINC000005222622 570516682 /nfs/dbraw/zinc/51/66/82/570516682.db2.gz NYXOROCHILLODS-UHFFFAOYSA-N 1 1 389.546 3.588 50 0 GHAAMO CCC(=O)NN1c2ccc(Cl)cc2N=C(N2CC[NH+](C)CC2)c2ccccc21 ZINC000016675570 570536487 /nfs/dbraw/zinc/53/64/87/570536487.db2.gz VYCZXSFXMICAFT-UHFFFAOYSA-N 1 1 397.910 3.558 50 0 GHAAMO Cc1c(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000023279984 570536979 /nfs/dbraw/zinc/53/69/79/570536979.db2.gz LICMAEPVRCAIKU-UHFFFAOYSA-N 1 1 377.463 3.913 50 0 GHAAMO Cc1cn2c(C(=O)N[C@@H]3CCC[N@H+](Cc4ccc(Cl)cc4)C3)csc2n1 ZINC000012433419 570660731 /nfs/dbraw/zinc/66/07/31/570660731.db2.gz CANRTJMCLPHXOL-MRXNPFEDSA-N 1 1 388.924 3.752 50 0 GHAAMO Cc1cn2c(C(=O)N[C@@H]3CCC[N@@H+](Cc4ccc(Cl)cc4)C3)csc2n1 ZINC000012433419 570660735 /nfs/dbraw/zinc/66/07/35/570660735.db2.gz CANRTJMCLPHXOL-MRXNPFEDSA-N 1 1 388.924 3.752 50 0 GHAAMO CN(C(=O)CCOc1ccccc1)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012454963 570669147 /nfs/dbraw/zinc/66/91/47/570669147.db2.gz HTQPVYKQZOROKB-NRFANRHFSA-N 1 1 378.516 3.546 50 0 GHAAMO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](C4CCN(C(C)=O)CC4)C3)ccc2c1 ZINC000012576160 570682488 /nfs/dbraw/zinc/68/24/88/570682488.db2.gz BJTBIFLBPFSTPT-OAQYLSRUSA-N 1 1 394.515 3.754 50 0 GHAAMO O=S(=O)(Cc1ccc(Cl)cc1)NC[C@@H](c1ccsc1)[NH+]1CCCC1 ZINC000008900256 570683610 /nfs/dbraw/zinc/68/36/10/570683610.db2.gz NDOMTVNWCOYFIX-KRWDZBQOSA-N 1 1 384.954 3.658 50 0 GHAAMO O=S(=O)(NC[C@H](c1ccsc1)[NH+]1CCCC1)c1ccc(F)c(Cl)c1 ZINC000008899685 570683757 /nfs/dbraw/zinc/68/37/57/570683757.db2.gz WRYNBAZINWDUBY-MRXNPFEDSA-N 1 1 388.917 3.656 50 0 GHAAMO COc1ccc(C[N@@H+]2CCc3nc(Nc4ccc(F)cc4)ncc3C2)c(OC)c1 ZINC000033048678 570700172 /nfs/dbraw/zinc/70/01/72/570700172.db2.gz AFIVFAKXPSTXHL-UHFFFAOYSA-N 1 1 394.450 3.935 50 0 GHAAMO COc1ccc(C[N@H+]2CCc3nc(Nc4ccc(F)cc4)ncc3C2)c(OC)c1 ZINC000033048678 570700173 /nfs/dbraw/zinc/70/01/73/570700173.db2.gz AFIVFAKXPSTXHL-UHFFFAOYSA-N 1 1 394.450 3.935 50 0 GHAAMO O=C(CC[N@H+]1CCC[C@@H]1c1cccs1)Nc1ccccc1C(=O)NC1CC1 ZINC000012745849 570708171 /nfs/dbraw/zinc/70/81/71/570708171.db2.gz PXWZRSDEVQIVAV-GOSISDBHSA-N 1 1 383.517 3.806 50 0 GHAAMO CC1CC[NH+](Cc2csc(N3CCN(C(=O)C4CCCCC4)CC3)n2)CC1 ZINC000065200210 570726988 /nfs/dbraw/zinc/72/69/88/570726988.db2.gz WSGYKBPIQNXTIX-UHFFFAOYSA-N 1 1 390.597 3.604 50 0 GHAAMO COc1cc(C[N@H+](C)CC(=O)NCc2cccc(Cl)c2)ccc1OC(F)F ZINC000013095720 570746114 /nfs/dbraw/zinc/74/61/14/570746114.db2.gz DZYTYEMFYDQTKJ-UHFFFAOYSA-N 1 1 398.837 3.698 50 0 GHAAMO COc1cc(C[N@@H+](C)CC(=O)NCc2cccc(Cl)c2)ccc1OC(F)F ZINC000013095720 570746116 /nfs/dbraw/zinc/74/61/16/570746116.db2.gz DZYTYEMFYDQTKJ-UHFFFAOYSA-N 1 1 398.837 3.698 50 0 GHAAMO c1csc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)c1 ZINC000013213813 570750623 /nfs/dbraw/zinc/75/06/23/570750623.db2.gz POZMCLWWAHFHMU-PMACEKPBSA-N 1 1 385.452 3.947 50 0 GHAAMO C[NH+]1CCN(CCCNc2ncnc3cc(-c4ccc(F)cc4)sc32)CC1 ZINC000032743540 570787643 /nfs/dbraw/zinc/78/76/43/570787643.db2.gz DZZMOZRDCUBUEO-UHFFFAOYSA-N 1 1 385.512 3.547 50 0 GHAAMO CCc1ccc2oc(=O)cc(CN3CC[NH+](Cc4cccc(OC)c4)CC3)c2c1 ZINC000033088026 570807222 /nfs/dbraw/zinc/80/72/22/570807222.db2.gz IMYQCYAANGGZRW-UHFFFAOYSA-N 1 1 392.499 3.682 50 0 GHAAMO CC[C@H](C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000032818687 570831054 /nfs/dbraw/zinc/83/10/54/570831054.db2.gz RJRIUJQONRIONQ-XZOQPEGZSA-N 1 1 379.548 3.675 50 0 GHAAMO CC[C@H](C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000032818687 570831056 /nfs/dbraw/zinc/83/10/56/570831056.db2.gz RJRIUJQONRIONQ-XZOQPEGZSA-N 1 1 379.548 3.675 50 0 GHAAMO CC[C@H](C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000032818687 570831059 /nfs/dbraw/zinc/83/10/59/570831059.db2.gz RJRIUJQONRIONQ-XZOQPEGZSA-N 1 1 379.548 3.675 50 0 GHAAMO Cn1c2ccccc2n(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1=S ZINC000012543847 570844094 /nfs/dbraw/zinc/84/40/94/570844094.db2.gz WMXJNEYMKRKMDP-UHFFFAOYSA-N 1 1 378.505 3.589 50 0 GHAAMO Cc1ccccc1[C@@H](C)CC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000170601440 570859022 /nfs/dbraw/zinc/85/90/22/570859022.db2.gz YNHIWKAFMOWFJI-GBXCKJPGSA-N 1 1 380.532 3.584 50 0 GHAAMO CC(C)N1CCC([N@@H+]2CCC[C@@H](C(=O)NC3C4CC5CC(C4)CC3C5)C2)CC1 ZINC000014953860 570865799 /nfs/dbraw/zinc/86/57/99/570865799.db2.gz YEJQTXDLIRAUGJ-OJWZQRGQSA-N 1 1 387.612 3.512 50 0 GHAAMO CC(C)N1CCC([N@H+]2CCC[C@@H](C(=O)NC3C4CC5CC(C4)CC3C5)C2)CC1 ZINC000014953860 570865801 /nfs/dbraw/zinc/86/58/01/570865801.db2.gz YEJQTXDLIRAUGJ-OJWZQRGQSA-N 1 1 387.612 3.512 50 0 GHAAMO O=C(c1ccco1)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014961199 570866776 /nfs/dbraw/zinc/86/67/76/570866776.db2.gz INWQANQNCFKPAJ-FQEVSTJZSA-N 1 1 387.568 3.862 50 0 GHAAMO O=C(c1ccco1)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014961199 570866778 /nfs/dbraw/zinc/86/67/78/570866778.db2.gz INWQANQNCFKPAJ-FQEVSTJZSA-N 1 1 387.568 3.862 50 0 GHAAMO CSc1nc(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cs1 ZINC000014967608 570867545 /nfs/dbraw/zinc/86/75/45/570867545.db2.gz HCSKGIWYHFHGFR-CQSZACIVSA-N 1 1 379.526 3.741 50 0 GHAAMO CSc1nc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cs1 ZINC000014967608 570867547 /nfs/dbraw/zinc/86/75/47/570867547.db2.gz HCSKGIWYHFHGFR-CQSZACIVSA-N 1 1 379.526 3.741 50 0 GHAAMO CC(C)N(C)C(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000014978150 570869061 /nfs/dbraw/zinc/86/90/61/570869061.db2.gz PNBZXOHGZMRWKG-UHFFFAOYSA-N 1 1 385.596 3.662 50 0 GHAAMO CC(C)N(C)C(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000014978150 570869063 /nfs/dbraw/zinc/86/90/63/570869063.db2.gz PNBZXOHGZMRWKG-UHFFFAOYSA-N 1 1 385.596 3.662 50 0 GHAAMO Cn1cc[nH+]c1N1CCC(NC(=O)c2ccc(-c3ccccc3Cl)o2)CC1 ZINC000170614464 570872298 /nfs/dbraw/zinc/87/22/98/570872298.db2.gz JTRRJCIPHXETTB-UHFFFAOYSA-N 1 1 384.867 3.732 50 0 GHAAMO Cc1noc(C)c1CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000015071292 570876800 /nfs/dbraw/zinc/87/68/00/570876800.db2.gz LTSRDPOEAWAIOX-SFHVURJKSA-N 1 1 375.900 3.658 50 0 GHAAMO Cc1noc(C)c1CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000015071292 570876802 /nfs/dbraw/zinc/87/68/02/570876802.db2.gz LTSRDPOEAWAIOX-SFHVURJKSA-N 1 1 375.900 3.658 50 0 GHAAMO COC(=O)Cn1cc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c2ccccc21 ZINC000015073613 570877959 /nfs/dbraw/zinc/87/79/59/570877959.db2.gz LAGZHUNVFSESBM-FQEVSTJZSA-N 1 1 377.488 3.891 50 0 GHAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000015080686 570879345 /nfs/dbraw/zinc/87/93/45/570879345.db2.gz VUTSMPJPEXYBQA-GOSISDBHSA-N 1 1 377.488 3.752 50 0 GHAAMO COC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1Br ZINC000012600245 570886422 /nfs/dbraw/zinc/88/64/22/570886422.db2.gz XRBGYQYGUSQSQG-LBPRGKRZSA-N 1 1 391.265 3.525 50 0 GHAAMO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000015301180 570888032 /nfs/dbraw/zinc/88/80/32/570888032.db2.gz FVXBVWKKYHWXLL-HXUWFJFHSA-N 1 1 398.478 3.783 50 0 GHAAMO CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000015301180 570888035 /nfs/dbraw/zinc/88/80/35/570888035.db2.gz FVXBVWKKYHWXLL-HXUWFJFHSA-N 1 1 398.478 3.783 50 0 GHAAMO C[N@@H+](Cc1ccccc1NC(=O)c1ccc(-n2cnnn2)cc1)C1CCCCC1 ZINC000032904220 570901911 /nfs/dbraw/zinc/90/19/11/570901911.db2.gz QYEWECMNVLCWCV-UHFFFAOYSA-N 1 1 390.491 3.679 50 0 GHAAMO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)no2)cc1 ZINC000015859688 570906822 /nfs/dbraw/zinc/90/68/22/570906822.db2.gz KRTQUYLPASGGLN-IBGZPJMESA-N 1 1 395.459 3.900 50 0 GHAAMO Cc1cc2oc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cc(=O)c2cc1C ZINC000015859924 570907308 /nfs/dbraw/zinc/90/73/08/570907308.db2.gz JZXJERGNXGNTJY-QGZVFWFLSA-N 1 1 380.444 3.570 50 0 GHAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@H](CC(C)C)n1cccc1 ZINC000263585362 570908232 /nfs/dbraw/zinc/90/82/32/570908232.db2.gz HUPBBOWJNULEPA-BDTNDASRSA-N 1 1 389.584 3.815 50 0 biogenic GHAAMO CCOc1ccccc1N1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000015923359 570909131 /nfs/dbraw/zinc/90/91/31/570909131.db2.gz TXHDMRAYYSONQK-UHFFFAOYSA-N 1 1 380.467 3.937 50 0 GHAAMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000089761708 570911665 /nfs/dbraw/zinc/91/16/65/570911665.db2.gz BMEBILAFDQMGAZ-UHFFFAOYSA-N 1 1 382.504 3.909 50 0 GHAAMO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000016339405 570922857 /nfs/dbraw/zinc/92/28/57/570922857.db2.gz ULDVZJQYZATVNL-HXUWFJFHSA-N 1 1 380.488 3.562 50 0 GHAAMO Cc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000016339405 570922859 /nfs/dbraw/zinc/92/28/59/570922859.db2.gz ULDVZJQYZATVNL-HXUWFJFHSA-N 1 1 380.488 3.562 50 0 GHAAMO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000016343958 570923032 /nfs/dbraw/zinc/92/30/32/570923032.db2.gz UCQYLJNEDDBZTE-FQEVSTJZSA-N 1 1 398.478 3.783 50 0 GHAAMO CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000016343958 570923034 /nfs/dbraw/zinc/92/30/34/570923034.db2.gz UCQYLJNEDDBZTE-FQEVSTJZSA-N 1 1 398.478 3.783 50 0 GHAAMO CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2N2CCOCC2)cc1 ZINC000016424482 570924441 /nfs/dbraw/zinc/92/44/41/570924441.db2.gz FETGTMKHFCGSTQ-GOSISDBHSA-N 1 1 381.520 3.545 50 0 GHAAMO CCc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2N2CCOCC2)cc1 ZINC000016424482 570924443 /nfs/dbraw/zinc/92/44/43/570924443.db2.gz FETGTMKHFCGSTQ-GOSISDBHSA-N 1 1 381.520 3.545 50 0 GHAAMO CCC(=O)N[C@H](C)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000023181675 570944595 /nfs/dbraw/zinc/94/45/95/570944595.db2.gz WNUHFYDYCLADRY-IERDGZPVSA-N 1 1 387.549 3.535 50 0 GHAAMO COCC[N@H+]1CCc2nc(SCc3ccc(C(C)(C)C)cc3)[nH]c(=O)c2C1 ZINC000033287208 570954812 /nfs/dbraw/zinc/95/48/12/570954812.db2.gz KUIUVVBZLIFKOZ-UHFFFAOYSA-N 1 1 387.549 3.777 50 0 GHAAMO O=C(NC[C@@H]1CCN(c2ccccc2)C1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000106576309 570965414 /nfs/dbraw/zinc/96/54/14/570965414.db2.gz ADFNPENYABNUSX-SFTDATJTSA-N 1 1 395.522 3.680 50 0 GHAAMO CCO[C@@H](CN1CC[NH+](C[C@H](C)C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000019362722 570979521 /nfs/dbraw/zinc/97/95/21/570979521.db2.gz BSHWLCACYCVCJE-REWPJTCUSA-N 1 1 380.532 3.901 50 0 world GHAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc3[nH]c(C(F)(F)F)nc3c1)C2 ZINC000091459719 571009334 /nfs/dbraw/zinc/00/93/34/571009334.db2.gz UAXNLSXWCPALNH-TZMCWYRMSA-N 1 1 380.414 3.528 50 0 GHAAMO COc1cccc(NC(=O)C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c1 ZINC000012761433 571012199 /nfs/dbraw/zinc/01/21/99/571012199.db2.gz FQPXBNNDYWCMEE-UHFFFAOYSA-N 1 1 382.460 3.807 50 0 GHAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4cccs4)CC3)n2)cc1 ZINC000046053269 571015262 /nfs/dbraw/zinc/01/52/62/571015262.db2.gz YUNQGAVDOTYJEQ-UHFFFAOYSA-N 1 1 393.516 3.861 50 0 GHAAMO CCc1cc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](CC)C3)[nH]n1 ZINC000091602612 571017363 /nfs/dbraw/zinc/01/73/63/571017363.db2.gz FRMZIOBZXSSZFE-LJQANCHMSA-N 1 1 380.536 3.704 50 0 GHAAMO CCc1cc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](CC)C3)n[nH]1 ZINC000091602612 571017366 /nfs/dbraw/zinc/01/73/66/571017366.db2.gz FRMZIOBZXSSZFE-LJQANCHMSA-N 1 1 380.536 3.704 50 0 GHAAMO CCc1cc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](CC)C3)n[nH]1 ZINC000091602612 571017368 /nfs/dbraw/zinc/01/73/68/571017368.db2.gz FRMZIOBZXSSZFE-LJQANCHMSA-N 1 1 380.536 3.704 50 0 GHAAMO CCOCc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000438863279 571022547 /nfs/dbraw/zinc/02/25/47/571022547.db2.gz VYKKYCZBEWHWQU-OAQYLSRUSA-N 1 1 381.520 3.909 50 0 GHAAMO COc1cc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)ccc1OCc1ccccc1 ZINC000012784681 571037763 /nfs/dbraw/zinc/03/77/63/571037763.db2.gz WYMRPFDYVXPFGH-LJQANCHMSA-N 1 1 394.471 3.900 50 0 GHAAMO Cc1[nH]c2c(cccc2F)c1CC(=O)NCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000092066830 571044006 /nfs/dbraw/zinc/04/40/06/571044006.db2.gz OIAWLTHOFKCQSP-SFHVURJKSA-N 1 1 379.479 3.764 50 0 GHAAMO CN(C)c1ccccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000095353327 571050666 /nfs/dbraw/zinc/05/06/66/571050666.db2.gz FDKGVFIDAIOCHF-AZUAARDMSA-N 1 1 381.495 3.628 50 0 GHAAMO O=C(c1cnn(-c2ccccc2)c1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095357318 571052958 /nfs/dbraw/zinc/05/29/58/571052958.db2.gz UNRLSCDLPGNFGJ-NFBKMPQASA-N 1 1 386.499 3.609 50 0 GHAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCC(Oc2ccccc2F)CC1 ZINC000095358327 571053492 /nfs/dbraw/zinc/05/34/92/571053492.db2.gz IPALKOWHOFAKSZ-QGZVFWFLSA-N 1 1 386.467 3.701 50 0 GHAAMO Cc1ccc([C@@H]2CN(C(=O)c3[nH]nc4ccccc43)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095377254 571065270 /nfs/dbraw/zinc/06/52/70/571065270.db2.gz ZGIZBENHOVDYFH-WWPVKYPJSA-N 1 1 386.499 3.574 50 0 GHAAMO CCn1ccc2c1cccc2C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2 ZINC000095382726 571068652 /nfs/dbraw/zinc/06/86/52/571068652.db2.gz PYZOJCLMFQOBOC-UYAOXDASSA-N 1 1 388.515 3.793 50 0 GHAAMO Cc1nc(C2CC2)ncc1C(=O)N(CCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000095505505 571078541 /nfs/dbraw/zinc/07/85/41/571078541.db2.gz GHUQDUWJJSUMBW-FQEVSTJZSA-N 1 1 392.547 3.689 50 0 GHAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccco2)C1)Nc1cccc(-c2cnco2)c1 ZINC000095516824 571084436 /nfs/dbraw/zinc/08/44/36/571084436.db2.gz GWKCUUAIFPACCI-INIZCTEOSA-N 1 1 380.448 3.968 50 0 GHAAMO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)[C@@H](C)N(C)C)C2CCCC2)CC1 ZINC000095520606 571086562 /nfs/dbraw/zinc/08/65/62/571086562.db2.gz YENVNKJPJFHWKO-OAQYLSRUSA-N 1 1 399.623 3.971 50 0 GHAAMO Cc1noc(C)c1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000095524096 571089745 /nfs/dbraw/zinc/08/97/45/571089745.db2.gz UIMHSEYEPKDJDM-KRWDZBQOSA-N 1 1 379.464 3.532 50 0 GHAAMO COc1ccc(CN(C)C(=O)c2ccc(-c3[nH+]c(C)[nH]c3C)cc2)cc1OC ZINC000584885218 841161433 /nfs/dbraw/zinc/16/14/33/841161433.db2.gz CKRDARZQXJPKNH-UHFFFAOYSA-N 1 1 379.460 3.983 50 0 GHAAMO CC[N@@H+](Cc1ccc(OCc2noc(C)n2)cc1)Cc1ccc2c(c1)OCO2 ZINC000120037326 846365845 /nfs/dbraw/zinc/36/58/45/846365845.db2.gz IJKNIDXVNVLMNZ-UHFFFAOYSA-N 1 1 381.432 3.708 50 0 GHAAMO CCCCn1cnc2sc3c(c2c1=O)CC[C@H]([N@@H+](C)CCc1ccccn1)C3 ZINC000023232214 849212250 /nfs/dbraw/zinc/21/22/50/849212250.db2.gz DEURDHZKZAVEJE-KRWDZBQOSA-N 1 1 396.560 3.685 50 0 GHAAMO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000012440872 862374428 /nfs/dbraw/zinc/37/44/28/862374428.db2.gz PCKKVXPYCOLLJG-MRXNPFEDSA-N 1 1 396.413 3.636 50 0 GHAAMO CC(=O)NCC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000012440872 862374448 /nfs/dbraw/zinc/37/44/48/862374448.db2.gz PCKKVXPYCOLLJG-MRXNPFEDSA-N 1 1 396.413 3.636 50 0 GHAAMO CC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)CC1 ZINC000058148982 862377019 /nfs/dbraw/zinc/37/70/19/862377019.db2.gz NDDOSXCZROIDEO-UHFFFAOYSA-N 1 1 388.515 3.934 50 0 GHAAMO COc1ccc(NC(=O)c2ccc(C[N@@H+](C[C@@H]3CCOC3)C3CC3)cc2)cc1 ZINC000040105895 856663608 /nfs/dbraw/zinc/66/36/08/856663608.db2.gz HCQXIXAJAHMMKS-SFHVURJKSA-N 1 1 380.488 3.948 50 0 GHAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000009069224 856750035 /nfs/dbraw/zinc/75/00/35/856750035.db2.gz MHRMGYRLCZWWDS-UHFFFAOYSA-N 1 1 387.430 3.562 50 0 GHAAMO Cc1nc(C)c(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)s1 ZINC000011841838 857578180 /nfs/dbraw/zinc/57/81/80/857578180.db2.gz JRVZQACBTQCDSY-QGZVFWFLSA-N 1 1 377.941 3.737 50 0 GHAAMO Cc1nc(C)c(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)s1 ZINC000011841838 857578193 /nfs/dbraw/zinc/57/81/93/857578193.db2.gz JRVZQACBTQCDSY-QGZVFWFLSA-N 1 1 377.941 3.737 50 0 GHAAMO CCn1nc(C)c([C@@H]2C[C@H]3CN(Cc4ccccc4C)C(=O)[C@]34CCC[N@@H+]24)c1C ZINC000011873775 857850489 /nfs/dbraw/zinc/85/04/89/857850489.db2.gz OPYAMLBNTGQDIM-HFMPRLQTSA-N 1 1 392.547 3.766 50 0 GHAAMO COc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)c3)C2)c1 ZINC000011878153 857860656 /nfs/dbraw/zinc/86/06/56/857860656.db2.gz OSMCSFOSMBZDHL-FQEVSTJZSA-N 1 1 375.472 3.976 50 0 GHAAMO COc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)c3)C2)c1 ZINC000011878153 857860661 /nfs/dbraw/zinc/86/06/61/857860661.db2.gz OSMCSFOSMBZDHL-FQEVSTJZSA-N 1 1 375.472 3.976 50 0 GHAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000011933683 858215111 /nfs/dbraw/zinc/21/51/11/858215111.db2.gz LCDCSJRRFPXMJO-INIZCTEOSA-N 1 1 378.432 3.713 50 0 GHAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000011933683 858215120 /nfs/dbraw/zinc/21/51/20/858215120.db2.gz LCDCSJRRFPXMJO-INIZCTEOSA-N 1 1 378.432 3.713 50 0 GHAAMO CCCn1c(C)c(CC(=O)NCC[C@H]2CCC[N@H+]2C)c2c1CC(C)(C)CC2=O ZINC000012090929 858857185 /nfs/dbraw/zinc/85/71/85/858857185.db2.gz YXSGKLJVGBYTHZ-QGZVFWFLSA-N 1 1 387.568 3.505 50 0 GHAAMO CCOc1ccc(C(=O)c2c[nH+]c3ccc(OC)cc3c2N2CCOCC2)cc1 ZINC000012437813 859308682 /nfs/dbraw/zinc/30/86/82/859308682.db2.gz UDJOKWBXBFKAGU-UHFFFAOYSA-N 1 1 392.455 3.710 50 0 GHAAMO O=C1N(c2ccccc2)C[C@@H]2C[C@@H](c3cccn3-c3nccs3)[N@H+]3CCC[C@@]123 ZINC000012701963 859527693 /nfs/dbraw/zinc/52/76/93/859527693.db2.gz WUFBZPMISJYDLL-BPXKWBHBSA-N 1 1 390.512 3.876 50 0 GHAAMO O=C(CC1CCCC1)N1CCC([N@@H+](Cc2cccnc2)C2CCOCC2)CC1 ZINC000169759093 859728499 /nfs/dbraw/zinc/72/84/99/859728499.db2.gz RJADPJMNUBUESB-UHFFFAOYSA-N 1 1 385.552 3.634 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@H](COc3ccccc3C(=O)NC(C)C)C2)n1 ZINC000169765124 859746043 /nfs/dbraw/zinc/74/60/43/859746043.db2.gz GLBHVWXBNGLDRM-SFHVURJKSA-N 1 1 397.519 3.519 50 0 GHAAMO O=C(C1CCC1)N1CCC2(CC1)C[C@H]([N@@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169776776 859773356 /nfs/dbraw/zinc/77/33/56/859773356.db2.gz RCJIZJYCOYGJGZ-JOCHJYFZSA-N 1 1 382.548 3.991 50 0 GHAAMO CO[C@H](C(=O)N1CCC[C@@H]2C[N@@H+](CCc3ccccc3)CC[C@@H]21)c1ccccc1 ZINC000012331303 860043973 /nfs/dbraw/zinc/04/39/73/860043973.db2.gz KJEPQYPZAFGBRR-SGNDLWITSA-N 1 1 392.543 3.930 50 0 GHAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC(c1ccccc1)c1ccccc1 ZINC000020000966 860463810 /nfs/dbraw/zinc/46/38/10/860463810.db2.gz XLUJQEGUCVZQST-UHFFFAOYSA-N 1 1 399.538 3.710 50 0 GHAAMO COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CC[N@H+]1CCCC(C)(C)C1 ZINC000002260489 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376.500 3.890 50 0 GHAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(Cl)cc2)CC1 ZINC000022460212 861128017 /nfs/dbraw/zinc/12/80/17/861128017.db2.gz WQQYLQYIMKCFSM-BEFAXECRSA-N 1 1 391.968 3.899 50 0 GHAAMO COc1cccc(CC(=O)NC[C@H]2CCC[N@@H+](Cc3cccc(SC)c3)C2)c1 ZINC000824775236 864136920 /nfs/dbraw/zinc/13/69/20/864136920.db2.gz BXRGUWVJSUFEHJ-HXUWFJFHSA-N 1 1 398.572 3.988 50 0 GHAAMO O=C(NCc1csc(-c2cccs2)n1)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000827733141 865097124 /nfs/dbraw/zinc/09/71/24/865097124.db2.gz FTZRXFIBEZNMJH-AWEZNQCLSA-N 1 1 387.530 3.993 50 0 GHAAMO CC(=O)Nc1ccccc1SCC(=O)NC[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000827846367 865137078 /nfs/dbraw/zinc/13/70/78/865137078.db2.gz XUUUAOSHFIMTKH-KRWDZBQOSA-N 1 1 389.565 3.508 50 0 GHAAMO CCOc1ccccc1NC(=O)N1CC[C@H](c2[nH+]cc(C)n2CCCOC)C1 ZINC000575317288 865991472 /nfs/dbraw/zinc/99/14/72/865991472.db2.gz FXVWHSNQAOENPP-KRWDZBQOSA-N 1 1 386.496 3.648 50 0 GHAAMO COc1cccc(CC(=O)N2CCC[C@@H](Cc3[nH+]cc(C)n3CC3CC3)C2)c1 ZINC000581816348 870045725 /nfs/dbraw/zinc/04/57/25/870045725.db2.gz UWDCKYPDYHLNNG-FQEVSTJZSA-N 1 1 381.520 3.634 50 0 GHAAMO COc1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]cc(C)n3C(C)C)C2)c(OC)c1 ZINC000581816446 870046078 /nfs/dbraw/zinc/04/60/78/870046078.db2.gz DFGADJGASAHVDJ-KRWDZBQOSA-N 1 1 385.508 3.885 50 0 GHAAMO CCOCc1cc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)ccc1OC ZINC000179776366 878005370 /nfs/dbraw/zinc/00/53/70/878005370.db2.gz GQGOORRTWCQPST-GOSISDBHSA-N 1 1 380.492 3.654 50 0 GHAAMO CCC[N@@H+](Cc1ccc2c(c1)CCO2)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000154042530 889102613 /nfs/dbraw/zinc/10/26/13/889102613.db2.gz JXKACERMXCAIJK-UHFFFAOYSA-N 1 1 383.879 3.924 50 0 GHAAMO CCC[N@H+](Cc1ccc2c(c1)CCO2)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000154042530 889102623 /nfs/dbraw/zinc/10/26/23/889102623.db2.gz JXKACERMXCAIJK-UHFFFAOYSA-N 1 1 383.879 3.924 50 0 GHAAMO S=c1[nH]c(-c2cccs2)nn1CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033491437 893316018 /nfs/dbraw/zinc/31/60/18/893316018.db2.gz OEZJJVLXDVXGRG-YWEYNIOJSA-N 1 1 397.573 3.958 50 0 GHAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnc(Nc2ccccc2)nc1 ZINC000670448629 893443015 /nfs/dbraw/zinc/44/30/15/893443015.db2.gz PHWCXDVLCIJLKB-GOSISDBHSA-N 1 1 393.516 3.676 50 0 GHAAMO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](CCCOCc3ccccc3)C2)cc(C)n1 ZINC000952872335 904635469 /nfs/dbraw/zinc/63/54/69/904635469.db2.gz PIEZKXCBRYOCOL-QFIPXVFZSA-N 1 1 395.547 3.747 50 0 GHAAMO CCCn1c(C)nc2cc(NC(=O)[C@@H]3CCC[N@H+](C4CCOCC4)C3)ccc21 ZINC000952981224 904666958 /nfs/dbraw/zinc/66/69/58/904666958.db2.gz CVULSFFFNGWPNP-QGZVFWFLSA-N 1 1 384.524 3.584 50 0 GHAAMO COC(=O)Cn1c(=O)c(C[N@@H+](C)Cc2ccsc2)cc2ccc(Cl)cc21 ZINC000014879697 919342809 /nfs/dbraw/zinc/34/28/09/919342809.db2.gz RFKYAMFQHRKCFL-UHFFFAOYSA-N 1 1 390.892 3.521 50 0 GHAAMO CCNC(=O)[C@@H]1CC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)C1 ZINC000067673158 926359130 /nfs/dbraw/zinc/35/91/30/926359130.db2.gz RKOHEDOLVJVMJN-CQSZACIVSA-N 1 1 381.398 3.627 50 0 GHAAMO Cc1ccc(F)cc1-c1ccc(C(=O)NCC2(C[NH+]3CCOCC3)CC2)cc1 ZINC000426428683 231219104 /nfs/dbraw/zinc/21/91/04/231219104.db2.gz BXMKGBQHWQIGFE-UHFFFAOYSA-N 1 1 382.479 3.643 50 0 GHAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCOCC2)cc1 ZINC000001447649 203910125 /nfs/dbraw/zinc/91/01/25/203910125.db2.gz PURSCPWSSIUMTA-UHFFFAOYSA-N 1 1 386.455 3.933 50 0 GHAAMO COc1ccccc1[C@H](CNc1cnn(-c2ccccc2)c(=O)c1Cl)[NH+](C)C ZINC000003566588 204012951 /nfs/dbraw/zinc/01/29/51/204012951.db2.gz VJROEDTXQOSCOI-SFHVURJKSA-N 1 1 398.894 3.609 50 0 GHAAMO COCCC1=C[C@@](O)(C(F)(F)F)N(c2ncc(C(F)(F)F)cc2Cl)[NH2+]1 ZINC000005447515 204133360 /nfs/dbraw/zinc/13/33/60/204133360.db2.gz ZMGUMCCJIQIXQJ-LLVKDONJSA-N 1 1 391.699 3.607 50 0 GHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1nn(C)c2c1CSc1ccccc1-2 ZINC000006817732 204211301 /nfs/dbraw/zinc/21/13/01/204211301.db2.gz VDHQZNZEOFTUJI-HNNXBMFYSA-N 1 1 384.549 3.687 50 0 GHAAMO COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)C[NH+]2CCCCC2)cc1O ZINC000010433995 204335258 /nfs/dbraw/zinc/33/52/58/204335258.db2.gz SDWGOKHNXBHAQL-KRWDZBQOSA-N 1 1 399.516 3.626 50 0 GHAAMO CN(Cc1cccnc1)Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000011663153 204349380 /nfs/dbraw/zinc/34/93/80/204349380.db2.gz CUPCGDMVGFQOST-QHCPKHFHSA-N 1 1 397.563 3.718 50 0 GHAAMO CN(Cc1cccnc1)Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000011663153 204349383 /nfs/dbraw/zinc/34/93/83/204349383.db2.gz CUPCGDMVGFQOST-QHCPKHFHSA-N 1 1 397.563 3.718 50 0 GHAAMO OC[C@@]1(Cc2ccccc2F)CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000011708284 204350832 /nfs/dbraw/zinc/35/08/32/204350832.db2.gz UUYYCOMTNBXIRP-HSZRJFAPSA-N 1 1 379.479 3.829 50 0 GHAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)c1ccc2c(c1)OCO2 ZINC000011818124 204353539 /nfs/dbraw/zinc/35/35/39/204353539.db2.gz DFFLTTUOJPTPPD-QGZVFWFLSA-N 1 1 398.478 3.581 50 0 GHAAMO Cc1n[nH]c(CCC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(CC(C)C)cc3)C2)c1C ZINC000011818541 204354460 /nfs/dbraw/zinc/35/44/60/204354460.db2.gz OXWMNYJGCAYIHG-JOCHJYFZSA-N 1 1 396.579 3.938 50 0 GHAAMO Cc1[nH]nc(CCC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(CC(C)C)cc3)C2)c1C ZINC000011818541 204354463 /nfs/dbraw/zinc/35/44/63/204354463.db2.gz OXWMNYJGCAYIHG-JOCHJYFZSA-N 1 1 396.579 3.938 50 0 GHAAMO Cc1[nH]nc(CCC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(CC(C)C)cc3)C2)c1C ZINC000011818541 204354468 /nfs/dbraw/zinc/35/44/68/204354468.db2.gz OXWMNYJGCAYIHG-JOCHJYFZSA-N 1 1 396.579 3.938 50 0 GHAAMO O=C(c1ccc(NCCc2ccco2)nc1)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000011873939 204358425 /nfs/dbraw/zinc/35/84/25/204358425.db2.gz FHFICEHIALCBKU-UHFFFAOYSA-N 1 1 396.535 3.810 50 0 GHAAMO CSc1ncc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)cn1 ZINC000011872883 204358850 /nfs/dbraw/zinc/35/88/50/204358850.db2.gz UDKHVHVOYCNGPL-NRFANRHFSA-N 1 1 386.540 3.826 50 0 GHAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(OC)c(F)c3)C2)cc1 ZINC000011874955 204359962 /nfs/dbraw/zinc/35/99/62/204359962.db2.gz PEHMDOHNNFTFQB-SFHVURJKSA-N 1 1 385.435 3.716 50 0 GHAAMO CCOc1ccc2nc(N3CCC[N@H+](C4CCSCC4)CC3)nc(C)c2c1 ZINC000011881957 204361131 /nfs/dbraw/zinc/36/11/31/204361131.db2.gz TXNASCFVAIOETA-UHFFFAOYSA-N 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C[N@@H+](C[C@H](O)c1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000089661746 570908771 /nfs/dbraw/zinc/90/87/71/570908771.db2.gz SWSGFJCZYAYXOY-IEBWDACRSA-N 1 1 396.478 3.861 50 0 GHAAMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000089783079 570912806 /nfs/dbraw/zinc/91/28/06/570912806.db2.gz LFLYVYAJCOCPJT-RTBURBONSA-N 1 1 376.928 3.521 50 0 GHAAMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000089783079 570912811 /nfs/dbraw/zinc/91/28/11/570912811.db2.gz LFLYVYAJCOCPJT-RTBURBONSA-N 1 1 376.928 3.521 50 0 GHAAMO O[C@@H](COc1ccc(Cl)cc1)C[N@@H+](Cc1ccccc1F)C[C@@H]1CCCO1 ZINC000105750196 570932645 /nfs/dbraw/zinc/93/26/45/570932645.db2.gz XQKHOAUOPJKDJT-QUCCMNQESA-N 1 1 393.886 3.900 50 0 GHAAMO O[C@@H](COc1ccc(Cl)cc1)C[N@H+](Cc1ccccc1F)C[C@@H]1CCCO1 ZINC000105750196 570932649 /nfs/dbraw/zinc/93/26/49/570932649.db2.gz XQKHOAUOPJKDJT-QUCCMNQESA-N 1 1 393.886 3.900 50 0 GHAAMO CCC(=O)N[C@@H](C)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023181391 570943979 /nfs/dbraw/zinc/94/39/79/570943979.db2.gz CRQIUZLKARJIEF-YWZLYKJASA-N 1 1 375.513 3.665 50 0 GHAAMO CSCC(=O)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000019146962 570959646 /nfs/dbraw/zinc/95/96/46/570959646.db2.gz DGERNGKLDMXURI-LJQANCHMSA-N 1 1 375.582 3.818 50 0 GHAAMO CCOC(=O)c1ccc(NC(=O)O[C@H]2CCN3Cc4ccccc4[NH+]=C23)cc1 ZINC000002139640 570963602 /nfs/dbraw/zinc/96/36/02/570963602.db2.gz ZMKUFSXTFSGVLJ-SFHVURJKSA-N 1 1 379.416 3.730 50 0 biogenic GHAAMO CCC(=O)c1ccc(OCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000170653310 570999722 /nfs/dbraw/zinc/99/97/22/570999722.db2.gz JLFGNJQBUIMOPL-AVRDEDQJSA-N 1 1 394.515 3.685 50 0 GHAAMO C[N@@H+](C1CCN(Cc2ccco2)CC1)[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000019537803 571000454 /nfs/dbraw/zinc/00/04/54/571000454.db2.gz MBCZAJPMVGTDLT-HSZRJFAPSA-N 1 1 381.564 3.883 50 0 GHAAMO CCc1nc(C[N@@H+]2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)cs1 ZINC000091350861 571004231 /nfs/dbraw/zinc/00/42/31/571004231.db2.gz KBGKEIQXUODPMH-NRFANRHFSA-N 1 1 384.549 3.505 50 0 GHAAMO CCc1nc(C[N@H+]2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)cs1 ZINC000091350861 571004236 /nfs/dbraw/zinc/00/42/36/571004236.db2.gz KBGKEIQXUODPMH-NRFANRHFSA-N 1 1 384.549 3.505 50 0 GHAAMO C[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(CO)cc3)CC2)C1 ZINC000091586409 571015555 /nfs/dbraw/zinc/01/55/55/571015555.db2.gz QUIBYCXYEOCDCK-QFIPXVFZSA-N 1 1 378.516 3.521 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012765856 571015650 /nfs/dbraw/zinc/01/56/50/571015650.db2.gz JJNZBGQGGIRSLV-AWEZNQCLSA-N 1 1 387.430 3.643 50 0 GHAAMO CC(C)n1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CCCc2ccccc2)C3)cn1 ZINC000091603529 571017639 /nfs/dbraw/zinc/01/76/39/571017639.db2.gz YXRITMFENMGMDC-RBBKRZOGSA-N 1 1 380.536 3.633 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012770017 571022257 /nfs/dbraw/zinc/02/22/57/571022257.db2.gz UZZLZKQXTIVEFN-LSDHHAIUSA-N 1 1 387.430 3.643 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012770017 571022259 /nfs/dbraw/zinc/02/22/59/571022259.db2.gz UZZLZKQXTIVEFN-LSDHHAIUSA-N 1 1 387.430 3.643 50 0 GHAAMO O=C(NCc1cc2n(n1)CCC[N@@H+](Cc1cccc3ccccc31)C2)C1CCC1 ZINC000091736388 571028424 /nfs/dbraw/zinc/02/84/24/571028424.db2.gz ZCVPKFGFXKILEP-UHFFFAOYSA-N 1 1 388.515 3.859 50 0 GHAAMO CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(-c3ccccc3)[nH]c1=O)C2 ZINC000095355944 571052075 /nfs/dbraw/zinc/05/20/75/571052075.db2.gz CUINQCDKANJCEI-UYAOXDASSA-N 1 1 391.515 3.545 50 0 GHAAMO O=C(c1ccncc1)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095366989 571059012 /nfs/dbraw/zinc/05/90/12/571059012.db2.gz MINQKOFNDSQEBN-NRFANRHFSA-N 1 1 375.516 3.956 50 0 GHAAMO CCOc1cc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccn2)C3)ccc1OC ZINC000095370593 571060857 /nfs/dbraw/zinc/06/08/57/571060857.db2.gz DSVXBWGOGAOOAP-PZJWPPBQSA-N 1 1 381.520 3.585 50 0 GHAAMO CCOc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)ccc1OC ZINC000095370593 571060858 /nfs/dbraw/zinc/06/08/58/571060858.db2.gz DSVXBWGOGAOOAP-PZJWPPBQSA-N 1 1 381.520 3.585 50 0 GHAAMO CCOc1cc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)ccc1OC ZINC000095370593 571060860 /nfs/dbraw/zinc/06/08/60/571060860.db2.gz DSVXBWGOGAOOAP-PZJWPPBQSA-N 1 1 381.520 3.585 50 0 GHAAMO Fc1cccc(C[N@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000095371344 571061403 /nfs/dbraw/zinc/06/14/03/571061403.db2.gz IXCCTUBELVXKFB-WWPVKYPJSA-N 1 1 380.463 3.617 50 0 GHAAMO Fc1cccc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1 ZINC000095371344 571061405 /nfs/dbraw/zinc/06/14/05/571061405.db2.gz IXCCTUBELVXKFB-WWPVKYPJSA-N 1 1 380.463 3.617 50 0 GHAAMO COc1cccc(OCC[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)c1 ZINC000095374317 571063292 /nfs/dbraw/zinc/06/32/92/571063292.db2.gz JVTUOJSBWIFSDF-PZJWPPBQSA-N 1 1 384.495 3.810 50 0 GHAAMO COc1cccc(OCCN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)c1 ZINC000095374317 571063296 /nfs/dbraw/zinc/06/32/96/571063296.db2.gz JVTUOJSBWIFSDF-PZJWPPBQSA-N 1 1 384.495 3.810 50 0 GHAAMO COc1cccc(OCCN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C3)c1 ZINC000095374317 571063298 /nfs/dbraw/zinc/06/32/98/571063298.db2.gz JVTUOJSBWIFSDF-PZJWPPBQSA-N 1 1 384.495 3.810 50 0 GHAAMO CCCn1cc(C[N@H+]2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CCN3CC2)c(C)n1 ZINC000095374805 571063839 /nfs/dbraw/zinc/06/38/39/571063839.db2.gz SWISJSJMEOQPOE-RBZQAINGSA-N 1 1 394.563 3.672 50 0 GHAAMO CCCn1cc(CN2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c(C)n1 ZINC000095374805 571063842 /nfs/dbraw/zinc/06/38/42/571063842.db2.gz SWISJSJMEOQPOE-RBZQAINGSA-N 1 1 394.563 3.672 50 0 GHAAMO COc1cc2c(cc1C[N@@H+]1C[C@H]3CC[C@@H]1CN(Cc1cscn1)C3)CCC2 ZINC000095380647 571067137 /nfs/dbraw/zinc/06/71/37/571067137.db2.gz XGFSOXPTGODMCK-HRAATJIYSA-N 1 1 383.561 3.737 50 0 GHAAMO COc1cc2c(cc1C[N@H+]1C[C@H]3CC[C@@H]1CN(Cc1cscn1)C3)CCC2 ZINC000095380647 571067139 /nfs/dbraw/zinc/06/71/39/571067139.db2.gz XGFSOXPTGODMCK-HRAATJIYSA-N 1 1 383.561 3.737 50 0 GHAAMO OC[C@@]12C[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C[C@@H]1c1ccccc1OC2 ZINC000095500849 571076140 /nfs/dbraw/zinc/07/61/40/571076140.db2.gz BYTNQKPXPKOYMF-IEBWSBKVSA-N 1 1 381.369 3.815 50 0 GHAAMO OC[C@@]12C[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C[C@@H]1c1ccccc1OC2 ZINC000095500849 571076142 /nfs/dbraw/zinc/07/61/42/571076142.db2.gz BYTNQKPXPKOYMF-IEBWSBKVSA-N 1 1 381.369 3.815 50 0 GHAAMO Cc1nc(CN(C)C[C@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)no1 ZINC000095506364 571078954 /nfs/dbraw/zinc/07/89/54/571078954.db2.gz DQTRMVACQGXVDE-QGZVFWFLSA-N 1 1 396.457 3.783 50 0 GHAAMO CCc1nnc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccc(OC)cc3C)C2)o1 ZINC000095520091 571086664 /nfs/dbraw/zinc/08/66/64/571086664.db2.gz HMRZCBATRFFVEP-INIZCTEOSA-N 1 1 386.496 3.580 50 0 GHAAMO CCc1nnc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccc(OC)cc3C)C2)o1 ZINC000095520091 571086666 /nfs/dbraw/zinc/08/66/66/571086666.db2.gz HMRZCBATRFFVEP-INIZCTEOSA-N 1 1 386.496 3.580 50 0 GHAAMO CC(C)C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc3occc3c1)CC2 ZINC000095526247 571090541 /nfs/dbraw/zinc/09/05/41/571090541.db2.gz ZQUHOCVOJKJCFO-UHFFFAOYSA-N 1 1 392.503 3.802 50 0 GHAAMO c1c(COc2ccccc2)nnn1CC[C@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000581818893 837720889 /nfs/dbraw/zinc/72/08/89/837720889.db2.gz UCNADCKFOFMMMI-OAQYLSRUSA-N 1 1 377.492 3.697 50 0 GHAAMO Cc1cc(N2CCC(NC(=O)[C@H](C)c3cc4ccccc4o3)CC2)nc(C)[nH+]1 ZINC000178180627 836544515 /nfs/dbraw/zinc/54/45/15/836544515.db2.gz GDZRSPJKEBAQSC-OAHLLOKOSA-N 1 1 378.476 3.728 50 0 GHAAMO CC[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(-c2nc3c(c(=O)[n-]2)C[NH2+]CC3)cc1 ZINC000023429932 837074683 /nfs/dbraw/zinc/07/46/83/837074683.db2.gz FNGFDGKNYJPAJX-QFIPXVFZSA-N 1 1 388.515 3.666 50 0 GHAAMO CC[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(-c2nc3c(c(=O)[n-]2)C[NH2+]CC3)cc1 ZINC000023429932 837074692 /nfs/dbraw/zinc/07/46/92/837074692.db2.gz FNGFDGKNYJPAJX-QFIPXVFZSA-N 1 1 388.515 3.666 50 0 GHAAMO CC(C)[N@H+]1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000257181069 838803735 /nfs/dbraw/zinc/80/37/35/838803735.db2.gz FDSZMWIYDUKSRH-OAQYLSRUSA-N 1 1 384.545 3.923 50 0 GHAAMO COCCO[C@H]1C[N@@H+](C2CCN(Cc3ccc(C)o3)CC2)C12CCCCC2 ZINC000257183024 838826672 /nfs/dbraw/zinc/82/66/72/838826672.db2.gz QPKXDKCIBQKYHF-NRFANRHFSA-N 1 1 376.541 3.603 50 0 GHAAMO COCCO[C@H]1CN(C2CC[NH+](Cc3ccc(C)o3)CC2)C12CCCCC2 ZINC000257183024 838826683 /nfs/dbraw/zinc/82/66/83/838826683.db2.gz QPKXDKCIBQKYHF-NRFANRHFSA-N 1 1 376.541 3.603 50 0 GHAAMO COCCO[C@H]1C[N@@H+](C2CCN(Cc3cccc(F)c3)CC2)C12CCCCC2 ZINC000257183266 838844013 /nfs/dbraw/zinc/84/40/13/838844013.db2.gz RDSVBPSGJGFQJH-QFIPXVFZSA-N 1 1 390.543 3.840 50 0 GHAAMO CCC[N@@H+](C)CC1(O)CCC2(CCN(C(=O)c3sccc3C)CC2)CC1 ZINC000257196760 839007481 /nfs/dbraw/zinc/00/74/81/839007481.db2.gz YVICVXNOGVQVEY-UHFFFAOYSA-N 1 1 378.582 3.926 50 0 GHAAMO OCC[C@H]1CN(Cc2ccc3ccccc3n2)CC[N@H+]1CCCc1ccccc1 ZINC000019740143 839829791 /nfs/dbraw/zinc/82/97/91/839829791.db2.gz NPZIYSOPRSBIGC-DEOSSOPVSA-N 1 1 389.543 3.736 50 0 GHAAMO COc1ccc(-c2csc3ncn(C[C@@H]4CCCC[N@H+]4C)c(=O)c23)cc1OC ZINC000584885225 841161989 /nfs/dbraw/zinc/16/19/89/841161989.db2.gz NRJAULWZYFPHNP-HNNXBMFYSA-N 1 1 399.516 3.627 50 0 GHAAMO COc1cccc2ccn(CCC(=O)N(C)C[C@H]3CCC[N@H+]4CCCC[C@H]34)c21 ZINC000299754455 861291236 /nfs/dbraw/zinc/29/12/36/861291236.db2.gz QCAFGKYIBBPHLM-WOJBJXKFSA-N 1 1 383.536 3.763 50 0 biogenic GHAAMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120124838 846420854 /nfs/dbraw/zinc/42/08/54/846420854.db2.gz SOUBMCDESWPNSI-SFHVURJKSA-N 1 1 385.552 3.922 50 0 GHAAMO FC(F)(F)c1ccccc1OCC[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000171618485 862535134 /nfs/dbraw/zinc/53/51/34/862535134.db2.gz MOAPYJBOVSFGMH-AWEZNQCLSA-N 1 1 380.414 3.502 50 0 GHAAMO CCN(C(C)=O)c1nc(CN2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cs1 ZINC000171627778 862550289 /nfs/dbraw/zinc/55/02/89/862550289.db2.gz RILVCBBZJFXQMI-UHFFFAOYSA-N 1 1 386.565 3.612 50 0 GHAAMO C[C@H]1c2ccccc2C=C1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000253418149 855093662 /nfs/dbraw/zinc/09/36/62/855093662.db2.gz QHUMZJKTHROXNX-QFBILLFUSA-N 1 1 389.499 3.523 50 0 GHAAMO COc1c2c(cc3c1[C@H](C[C@H](OC(C)=O)c1ccccc1)[N@@H+](C)CC3)OCO2 ZINC000004029529 862722920 /nfs/dbraw/zinc/72/29/20/862722920.db2.gz HOJWQTIDNXZUOL-ROUUACIJSA-N 1 1 383.444 3.647 50 0 biogenic GHAAMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)N[C@H]1CCSc2ccccc21 ZINC000069927715 857152910 /nfs/dbraw/zinc/15/29/10/857152910.db2.gz ZJKRSCJNYXCGDN-FQEVSTJZSA-N 1 1 397.544 3.555 50 0 GHAAMO CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000823118467 862934224 /nfs/dbraw/zinc/93/42/24/862934224.db2.gz NLQOTLXRGHTGMS-HSZRJFAPSA-N 1 1 389.499 3.508 50 0 GHAAMO CC(C)(C)CC[N@H+]1CCC[C@@H](COc2ccccc2C(=O)N2CCOCC2)C1 ZINC000169764978 859744920 /nfs/dbraw/zinc/74/49/20/859744920.db2.gz BCLHTZFCOCIITK-LJQANCHMSA-N 1 1 388.552 3.686 50 0 GHAAMO CC[C@H](C[NH+]1CCOCC1)Nc1nc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000015781628 860561175 /nfs/dbraw/zinc/56/11/75/860561175.db2.gz FBMQLPXTSZTACW-GOSISDBHSA-N 1 1 392.503 3.828 50 0 GHAAMO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000095466720 860593838 /nfs/dbraw/zinc/59/38/38/860593838.db2.gz GOSAUHSDKWUBLU-ACJLOTCBSA-N 1 1 394.393 3.852 50 0 GHAAMO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000095466720 860593843 /nfs/dbraw/zinc/59/38/43/860593843.db2.gz GOSAUHSDKWUBLU-ACJLOTCBSA-N 1 1 394.393 3.852 50 0 GHAAMO COCc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(C)c2)C3)o1 ZINC000012385354 861106073 /nfs/dbraw/zinc/10/60/73/861106073.db2.gz BVQIEXNLGVESIF-QHCPKHFHSA-N 1 1 382.504 3.863 50 0 GHAAMO COc1ccc(-c2nc(C[N@H+]3CCCCC[C@@H]3CCO)cs2)c(OC)c1 ZINC000792925882 863245511 /nfs/dbraw/zinc/24/55/11/863245511.db2.gz MAJRYHOENJXFIW-MRXNPFEDSA-N 1 1 376.522 3.954 50 0 GHAAMO COCC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000824313318 863992180 /nfs/dbraw/zinc/99/21/80/863992180.db2.gz IWFZSZZOVAFBMH-OAQYLSRUSA-N 1 1 395.503 3.573 50 0 GHAAMO COCCc1noc([C@H]2CCC[N@@H+](CC3=Cc4cc(Cl)ccc4OC3)C2)n1 ZINC000824462505 864051775 /nfs/dbraw/zinc/05/17/75/864051775.db2.gz WOVCXJPUNIIHOF-HNNXBMFYSA-N 1 1 389.883 3.567 50 0 GHAAMO COc1ccc2c(c1)c(C(=O)N[C@H](C)C[N@H+]1CCc3ccccc3C1)c(C)n2C ZINC000824757797 864131804 /nfs/dbraw/zinc/13/18/04/864131804.db2.gz HNCRYKYTADWOSV-MRXNPFEDSA-N 1 1 391.515 3.672 50 0 GHAAMO Cc1cccc(OCC(=O)NC[C@H]2CCC[N@@H+](Cc3cc(C(C)C)on3)C2)c1C ZINC000827841838 865137010 /nfs/dbraw/zinc/13/70/10/865137010.db2.gz FLPYHKQUCLVTGY-LJQANCHMSA-N 1 1 399.535 3.822 50 0 GHAAMO Cc1cccc(OCC(=O)NC[C@H]2CCC[N@H+](Cc3cc(C(C)C)on3)C2)c1C ZINC000827841838 865137021 /nfs/dbraw/zinc/13/70/21/865137021.db2.gz FLPYHKQUCLVTGY-LJQANCHMSA-N 1 1 399.535 3.822 50 0 GHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cn2c(n1)CC[C@H](c1ccccc1)C2 ZINC000034840113 865912691 /nfs/dbraw/zinc/91/26/91/865912691.db2.gz QQVAGPWOYRJSCC-QUCCMNQESA-N 1 1 380.536 3.607 50 0 GHAAMO C[N@@H+](Cc1ccccc1)[C@H]1CCOC2(CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC000581784056 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ZINC000039420529 205042844 /nfs/dbraw/zinc/04/28/44/205042844.db2.gz LHWJLXHSYMEQFF-SFTDATJTSA-N 1 1 397.563 3.745 50 0 GHAAMO COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000048260763 205116443 /nfs/dbraw/zinc/11/64/43/205116443.db2.gz JJHZHQDDLFGAMX-FQEVSTJZSA-N 1 1 394.515 3.501 50 0 GHAAMO CCCn1cc(-c2cc(C(=O)N3CCC[N@@H+](C)C[C@H]3C)c3ccccc3n2)cn1 ZINC000063844481 205187742 /nfs/dbraw/zinc/18/77/42/205187742.db2.gz UELASMAQBYHGTQ-QGZVFWFLSA-N 1 1 391.519 3.675 50 0 GHAAMO CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000058161277 205165932 /nfs/dbraw/zinc/16/59/32/205165932.db2.gz IGEQMOYOYDUGLA-LJQANCHMSA-N 1 1 378.488 3.846 50 0 GHAAMO O=C(CCC(=O)c1cccs1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000058180869 205168140 /nfs/dbraw/zinc/16/81/40/205168140.db2.gz UDJMEIDAHZSWSN-OAHLLOKOSA-N 1 1 376.547 3.801 50 0 GHAAMO CN1CCC([N@H+](C)C[C@H](NC(=O)c2ccc3c(c2)CCC3)c2ccccc2)CC1 ZINC000058440018 205177555 /nfs/dbraw/zinc/17/75/55/205177555.db2.gz ITTRPGTWKLSZPM-DEOSSOPVSA-N 1 1 391.559 3.672 50 0 GHAAMO CN1CCC([N@@H+](C)C[C@H](NC(=O)c2ccc3c(c2)CCC3)c2ccccc2)CC1 ZINC000058440018 205177558 /nfs/dbraw/zinc/17/75/58/205177558.db2.gz ITTRPGTWKLSZPM-DEOSSOPVSA-N 1 1 391.559 3.672 50 0 GHAAMO C[N@@H+](Cc1ccc(C(=O)Nc2ccc(CO)cc2)cc1)[C@H]1CCOC(C)(C)C1 ZINC000065534968 205237256 /nfs/dbraw/zinc/23/72/56/205237256.db2.gz BFLJSJAZNREKBG-NRFANRHFSA-N 1 1 382.504 3.821 50 0 GHAAMO CN(C[C@@H]1CCCC[N@H+]1C)C(=O)c1cc(COc2ccc(F)cc2Cl)on1 ZINC000067688704 205254707 /nfs/dbraw/zinc/25/47/07/205254707.db2.gz ZKYKDRYJZPDQMJ-AWEZNQCLSA-N 1 1 395.862 3.602 50 0 GHAAMO CCNC(=O)CC[N@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067678796 205255081 /nfs/dbraw/zinc/25/50/81/205255081.db2.gz PJQHHUSHFNASIU-UHFFFAOYSA-N 1 1 389.499 3.739 50 0 GHAAMO CC(C)[C@@H]1CN(C(=O)CCCn2ccnc2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071746361 205289527 /nfs/dbraw/zinc/28/95/27/205289527.db2.gz RUOOLQCAPHFTBA-NRFANRHFSA-N 1 1 386.515 3.562 50 0 GHAAMO O=C1C[C@H](c2ccccc2)[N@H+](CCOc2ccc(Cl)cc2Cl)CCN1 ZINC000069393306 205275023 /nfs/dbraw/zinc/27/50/23/205275023.db2.gz IYHQSQPJGNMKBW-QGZVFWFLSA-N 1 1 379.287 3.935 50 0 GHAAMO O=C1C[C@H](c2ccccc2)[N@@H+](CCOc2ccc(Cl)cc2Cl)CCN1 ZINC000069393306 205275027 /nfs/dbraw/zinc/27/50/27/205275027.db2.gz IYHQSQPJGNMKBW-QGZVFWFLSA-N 1 1 379.287 3.935 50 0 GHAAMO Cc1ccnc(Nc2cc(NCCNC(=O)Nc3ccccc3F)[nH+]c(C)n2)c1 ZINC000090608015 205275071 /nfs/dbraw/zinc/27/50/71/205275071.db2.gz JXGBGUALSBDJRY-UHFFFAOYSA-N 1 1 395.442 3.605 50 0 GHAAMO CCn1nc(C)cc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072140337 205308472 /nfs/dbraw/zinc/30/84/72/205308472.db2.gz OUIUALVUEKGVEM-OAQYLSRUSA-N 1 1 386.515 3.723 50 0 GHAAMO COc1ccc(-n2cc(CN3CCC[N@@H+](C)CC3)c(-c3cccc(F)c3)n2)cc1 ZINC000072425474 205349736 /nfs/dbraw/zinc/34/97/36/205349736.db2.gz SWHXXPGGNPVFKN-UHFFFAOYSA-N 1 1 394.494 3.825 50 0 GHAAMO COc1ccc(-n2cc(C[N@@H+]3CCCN(C)CC3)c(-c3cccc(F)c3)n2)cc1 ZINC000072425474 205349739 /nfs/dbraw/zinc/34/97/39/205349739.db2.gz SWHXXPGGNPVFKN-UHFFFAOYSA-N 1 1 394.494 3.825 50 0 GHAAMO COc1ccc(-n2cc(C[N@H+]3CCCN(C)CC3)c(-c3cccc(F)c3)n2)cc1 ZINC000072425474 205349743 /nfs/dbraw/zinc/34/97/43/205349743.db2.gz SWHXXPGGNPVFKN-UHFFFAOYSA-N 1 1 394.494 3.825 50 0 GHAAMO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000072429861 205350206 /nfs/dbraw/zinc/35/02/06/205350206.db2.gz YYLLKPSTFRIBJO-FQEVSTJZSA-N 1 1 396.441 3.576 50 0 GHAAMO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000072429861 205350208 /nfs/dbraw/zinc/35/02/08/205350208.db2.gz YYLLKPSTFRIBJO-FQEVSTJZSA-N 1 1 396.441 3.576 50 0 GHAAMO Cc1cccc(-n2cc(C[N@@H+]3CCC(=O)NC[C@H]3C)c(-c3cccc(F)c3)n2)c1 ZINC000072432645 205351063 /nfs/dbraw/zinc/35/10/63/205351063.db2.gz ZAQZPOHXVPOQNU-QGZVFWFLSA-N 1 1 392.478 3.697 50 0 GHAAMO Cc1ncsc1C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 ZINC000072479767 205355268 /nfs/dbraw/zinc/35/52/68/205355268.db2.gz ZMONXYZVVYPYAF-DOTOQJQBSA-N 1 1 375.563 3.569 50 0 GHAAMO c1cc(-c2ccc(C[N@@H+]3CCC[C@H]3c3nc(-c4ccccn4)no3)s2)n[nH]1 ZINC000077471664 205364170 /nfs/dbraw/zinc/36/41/70/205364170.db2.gz OHRFZQNPUMEUKZ-INIZCTEOSA-N 1 1 378.461 3.920 50 0 GHAAMO c1cc(-c2ccc(C[N@H+]3CCC[C@H]3c3nc(-c4ccccn4)no3)s2)n[nH]1 ZINC000077471664 205364174 /nfs/dbraw/zinc/36/41/74/205364174.db2.gz OHRFZQNPUMEUKZ-INIZCTEOSA-N 1 1 378.461 3.920 50 0 GHAAMO COc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(C)cc3)C2)c1OC ZINC000077405949 205360376 /nfs/dbraw/zinc/36/03/76/205360376.db2.gz NROBUMAPAJKJSV-IBGZPJMESA-N 1 1 382.504 3.654 50 0 GHAAMO COc1ccc2cc(C[N@H+]3CCC[C@H]3C(N)=O)c(-c3cccc(C)c3)nc2c1 ZINC000072408926 205347471 /nfs/dbraw/zinc/34/74/71/205347471.db2.gz URYFLXVKHBTVRA-NRFANRHFSA-N 1 1 375.472 3.669 50 0 GHAAMO Cc1ccc2cc(CN3CC[N@H+](C)[C@H](CCO)C3)c(-c3cccs3)nc2c1 ZINC000072424228 205348329 /nfs/dbraw/zinc/34/83/29/205348329.db2.gz RVLXILOWCVRNJJ-LJQANCHMSA-N 1 1 381.545 3.770 50 0 GHAAMO Cc1ccc2cc(C[N@H+]3CCN(C)[C@H](CCO)C3)c(-c3cccs3)nc2c1 ZINC000072424228 205348334 /nfs/dbraw/zinc/34/83/34/205348334.db2.gz RVLXILOWCVRNJJ-LJQANCHMSA-N 1 1 381.545 3.770 50 0 GHAAMO Cc1ccc2cc(C[N@@H+]3CCN(C)[C@H](CCO)C3)c(-c3cccs3)nc2c1 ZINC000072424228 205348339 /nfs/dbraw/zinc/34/83/39/205348339.db2.gz RVLXILOWCVRNJJ-LJQANCHMSA-N 1 1 381.545 3.770 50 0 GHAAMO OCC[N@@H+](Cc1nc(-c2cc(Br)cs2)no1)C1CCCCC1 ZINC000078803216 205376092 /nfs/dbraw/zinc/37/60/92/205376092.db2.gz SRBNJTVEBVYVJN-UHFFFAOYSA-N 1 1 386.315 3.688 50 0 GHAAMO O=C(NC[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1)Nc1cccc(F)c1 ZINC000084372619 205393816 /nfs/dbraw/zinc/39/38/16/205393816.db2.gz AEJXMCBETMYRDC-SFHVURJKSA-N 1 1 376.520 3.535 50 0 GHAAMO CN(C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1)C1CCCCC1 ZINC000082157025 205390338 /nfs/dbraw/zinc/39/03/38/205390338.db2.gz ZQFWLHXPOFWVMS-OAQYLSRUSA-N 1 1 398.595 3.549 50 0 GHAAMO O=C(C[N@@H+]1CC[C@@H](n2cncn2)C1)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000225417384 206046695 /nfs/dbraw/zinc/04/66/95/206046695.db2.gz BGXIIBYNCCEADE-QGZVFWFLSA-N 1 1 397.866 3.609 50 0 GHAAMO O=C(C[N@H+]1CC[C@@H](n2cncn2)C1)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000225417384 206046700 /nfs/dbraw/zinc/04/67/00/206046700.db2.gz BGXIIBYNCCEADE-QGZVFWFLSA-N 1 1 397.866 3.609 50 0 GHAAMO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1)c1ccc(Cl)cc1Cl ZINC000225736369 206070649 /nfs/dbraw/zinc/07/06/49/206070649.db2.gz VAQGBFRUJJAFOO-XJKSGUPXSA-N 1 1 394.302 3.719 50 0 GHAAMO C[C@H](NC(=O)C[N@H+]1CC[C@@H](Oc2ccncc2)C1)c1ccc(Cl)cc1Cl ZINC000225736369 206070652 /nfs/dbraw/zinc/07/06/52/206070652.db2.gz VAQGBFRUJJAFOO-XJKSGUPXSA-N 1 1 394.302 3.719 50 0 GHAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)Cc1cnc(C2OCCO2)s1 ZINC000225638680 206062565 /nfs/dbraw/zinc/06/25/65/206062565.db2.gz ZMEFNZHHUDLTBO-QFBILLFUSA-N 1 1 387.549 3.531 50 0 GHAAMO O=C(c1cccc(Br)c1)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225686764 206066782 /nfs/dbraw/zinc/06/67/82/206066782.db2.gz GKJNZWRPSMKOJU-IBGZPJMESA-N 1 1 385.305 3.722 50 0 GHAAMO Cc1cccc(-c2noc(CN3CCC[N@H+](Cc4ccc(F)cc4)CC3)n2)c1 ZINC000029712350 206067200 /nfs/dbraw/zinc/06/72/00/206067200.db2.gz ZWWNUKKCZCIOCB-UHFFFAOYSA-N 1 1 380.467 3.892 50 0 GHAAMO Cc1cccc(-c2noc(CN3CCC[N@@H+](Cc4ccc(F)cc4)CC3)n2)c1 ZINC000029712350 206067204 /nfs/dbraw/zinc/06/72/04/206067204.db2.gz ZWWNUKKCZCIOCB-UHFFFAOYSA-N 1 1 380.467 3.892 50 0 GHAAMO COc1ccccc1[C@H](C)[N@@H+](C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000229560572 206105476 /nfs/dbraw/zinc/10/54/76/206105476.db2.gz OPSPEHSVYNPRMJ-GOEBONIOSA-N 1 1 394.309 3.890 50 0 GHAAMO COc1ccc(C(=O)N2CC[NH+](Cc3csc4ccccc34)CC2)cc1OC ZINC000032756989 206095356 /nfs/dbraw/zinc/09/53/56/206095356.db2.gz LRGZORDZBDUGAV-UHFFFAOYSA-N 1 1 396.512 3.877 50 0 GHAAMO COc1cccc(OC)c1CNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299799484 206191917 /nfs/dbraw/zinc/19/19/17/206191917.db2.gz RZKHTTZANMTGOH-SXLOBPIMSA-N 1 1 380.488 3.546 50 0 GHAAMO Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccncc3)CC2)c2cccnc12 ZINC000299800662 206193594 /nfs/dbraw/zinc/19/35/94/206193594.db2.gz ICGFJBRSSMNKLU-UHFFFAOYSA-N 1 1 375.476 3.678 50 0 GHAAMO Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccncc3)CC2)c2cccnc12 ZINC000299800662 206193599 /nfs/dbraw/zinc/19/35/99/206193599.db2.gz ICGFJBRSSMNKLU-UHFFFAOYSA-N 1 1 375.476 3.678 50 0 GHAAMO CC(=O)N1CCCc2cc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000070012555 136165279 /nfs/dbraw/zinc/16/52/79/136165279.db2.gz BTOZCUBLDLZETI-OAQYLSRUSA-N 1 1 391.515 3.836 50 0 GHAAMO Cc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)nc2ccccc12 ZINC000071762609 136166396 /nfs/dbraw/zinc/16/63/96/136166396.db2.gz UICVSJOKFVXGCA-SFHVURJKSA-N 1 1 392.547 3.503 50 0 GHAAMO CCN1CCN(c2cc(C[NH2+][C@@H]3CCCOc4ccc(C)cc43)ccn2)CC1 ZINC000095421341 136179057 /nfs/dbraw/zinc/17/90/57/136179057.db2.gz PMRAXPSRCYCGSL-OAQYLSRUSA-N 1 1 380.536 3.535 50 0 GHAAMO CCCN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000426545469 528148905 /nfs/dbraw/zinc/14/89/05/528148905.db2.gz ZWXBPHQKAXGQJN-RBBKRZOGSA-N 1 1 380.536 3.566 50 0 GHAAMO COc1ccccc1C[NH+]1CCN(Cc2ccccc2Br)CC1 ZINC000019781957 570218601 /nfs/dbraw/zinc/21/86/01/570218601.db2.gz RSLPXISFTLFYBK-UHFFFAOYSA-N 1 1 375.310 3.776 50 0 GHAAMO C[N@@H+](Cc1ccncc1)Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)cc1 ZINC000048175488 570220312 /nfs/dbraw/zinc/22/03/12/570220312.db2.gz LPRFUMWGFJAKEW-UHFFFAOYSA-N 1 1 383.455 3.526 50 0 GHAAMO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019809566 570221303 /nfs/dbraw/zinc/22/13/03/570221303.db2.gz PHJKWLGEYWBQCC-AWWSKVOZSA-N 1 1 392.559 3.786 50 0 GHAAMO COc1cccc(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)c1 ZINC000019841187 570224749 /nfs/dbraw/zinc/22/47/49/570224749.db2.gz KYKRCSHKNIHQKH-UHFFFAOYSA-N 1 1 375.310 3.776 50 0 GHAAMO CCOc1ccc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1OCC ZINC000019841812 570224788 /nfs/dbraw/zinc/22/47/88/570224788.db2.gz ILLVDTDGIJUWCD-UHFFFAOYSA-N 1 1 384.545 3.977 50 0 GHAAMO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2F)cc1 ZINC000048341519 570239669 /nfs/dbraw/zinc/23/96/69/570239669.db2.gz SOEORXYEYNMNLX-CQSZACIVSA-N 1 1 382.476 3.846 50 0 GHAAMO CC(C)=CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccccc1C)CC2 ZINC000097307261 570240954 /nfs/dbraw/zinc/24/09/54/570240954.db2.gz FQWISPVQOLUICB-UHFFFAOYSA-N 1 1 378.520 3.674 50 0 GHAAMO O[C@H](COc1ccccc1)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000020390586 570254037 /nfs/dbraw/zinc/25/40/37/570254037.db2.gz CTVMEOGSLOPSJX-INIZCTEOSA-N 1 1 381.303 3.555 50 0 GHAAMO Cc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc4nsnc4c3)C2)o1 ZINC000020600535 570270132 /nfs/dbraw/zinc/27/01/32/570270132.db2.gz SLUWKXSUHYSNGN-MRXNPFEDSA-N 1 1 398.532 3.901 50 0 GHAAMO CN1CC[NH+](Cn2cc(CCCC(=O)N3CCCCCC3)c3ccccc32)CC1 ZINC000020646894 570274157 /nfs/dbraw/zinc/27/41/57/570274157.db2.gz JSHBPOAKEKVECI-UHFFFAOYSA-N 1 1 396.579 3.572 50 0 GHAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2c[nH]c3ccccc23)C[C@@H]1CCO ZINC000020779120 570280001 /nfs/dbraw/zinc/28/00/01/570280001.db2.gz AXXUPFFZUGADBD-NRFANRHFSA-N 1 1 393.531 3.635 50 0 GHAAMO CC(C)=CC[N@H+]1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)C[C@@H]1CCO ZINC000020995712 570286283 /nfs/dbraw/zinc/28/62/83/570286283.db2.gz VUJJVVQHSVLVCC-FQEVSTJZSA-N 1 1 388.943 3.565 50 0 GHAAMO Cc1ccc(C(C)C)cc1OCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000012917135 570292730 /nfs/dbraw/zinc/29/27/30/570292730.db2.gz GSKRHUKLKFROTH-UHFFFAOYSA-N 1 1 396.531 3.646 50 0 GHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cncc(-c3cc(OC)ccc3OC)c2)C1 ZINC000034670398 570293443 /nfs/dbraw/zinc/29/34/43/570293443.db2.gz BGHQZBBQCLWUKC-QGZVFWFLSA-N 1 1 384.476 3.541 50 0 GHAAMO CC[N@@H+](Cc1ccccc1)C1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000002734606 570297006 /nfs/dbraw/zinc/29/70/06/570297006.db2.gz SRYRFNRZFCIFBM-UHFFFAOYSA-N 1 1 384.520 3.896 50 0 GHAAMO CCNC(=O)[C@@H]1C[C@@H](c2ccc(F)c(C)c2)C[N@@H+](Cc2cccc(OC)c2)C1 ZINC000034716720 570319610 /nfs/dbraw/zinc/31/96/10/570319610.db2.gz AFCZZFHJOPTTMO-WOJBJXKFSA-N 1 1 384.495 3.885 50 0 GHAAMO Cc1ccc(C)c(OCC[NH+]2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1 ZINC000022784822 570327355 /nfs/dbraw/zinc/32/73/55/570327355.db2.gz HXJYMMFPNQDWEY-UHFFFAOYSA-N 1 1 395.547 3.555 50 0 GHAAMO C[C@@H](NC(=O)CN1CC[NH+](Cc2cccs2)CC1)c1cccc2ccccc21 ZINC000022792871 570328274 /nfs/dbraw/zinc/32/82/74/570328274.db2.gz OMQOINSTXZUKBG-GOSISDBHSA-N 1 1 393.556 3.896 50 0 GHAAMO CC(C)[C@@H](NC(=O)CN1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000022849044 570330977 /nfs/dbraw/zinc/33/09/77/570330977.db2.gz LBQUKYVSFMOXKG-OAQYLSRUSA-N 1 1 389.540 3.518 50 0 GHAAMO CN1CC[NH+](CC[C@H]2CCCCN2C(=S)Nc2ccccc2Cl)CC1 ZINC000022935551 570338155 /nfs/dbraw/zinc/33/81/55/570338155.db2.gz QXZMQQYYJKOGFS-MRXNPFEDSA-N 1 1 380.989 3.529 50 0 GHAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(C)=O)[N@@H+](Cc1ccccc1C)CC2 ZINC000034855479 570341570 /nfs/dbraw/zinc/34/15/70/570341570.db2.gz JELXTBQTVQDFGD-WAIKUNEKSA-N 1 1 382.504 3.636 50 0 GHAAMO COc1cccc2c1OCCC[N@H+](Cc1c[nH]nc1-c1ccc3c(c1)OCO3)C2 ZINC000023158754 570347331 /nfs/dbraw/zinc/34/73/31/570347331.db2.gz KLJWTQNLPMQIFR-UHFFFAOYSA-N 1 1 393.443 3.599 50 0 GHAAMO COc1cccc2c1OCCC[N@@H+](Cc1c[nH]nc1-c1ccc3c(c1)OCO3)C2 ZINC000023158754 570347332 /nfs/dbraw/zinc/34/73/32/570347332.db2.gz KLJWTQNLPMQIFR-UHFFFAOYSA-N 1 1 393.443 3.599 50 0 GHAAMO Cc1c2cc(C)cc(Cl)c2oc1C(=O)N(C)CCCC[NH+]1CCOCC1 ZINC000023339371 570355299 /nfs/dbraw/zinc/35/52/99/570355299.db2.gz RLDWZTKKWLITEF-UHFFFAOYSA-N 1 1 378.900 3.887 50 0 GHAAMO COC(=O)c1ccc(NC(=O)N(CC2CC2)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000604406404 570358049 /nfs/dbraw/zinc/35/80/49/570358049.db2.gz YNYAWUICZRYKOA-PZJWPPBQSA-N 1 1 399.535 3.982 50 0 biogenic GHAAMO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cnc(C)s3)C2)c1 ZINC000023398392 570360532 /nfs/dbraw/zinc/36/05/32/570360532.db2.gz WAUAWVYSORSXHR-KRWDZBQOSA-N 1 1 387.549 3.769 50 0 GHAAMO O=C(CN1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)Nc1ccccc1 ZINC000023618475 570366815 /nfs/dbraw/zinc/36/68/15/570366815.db2.gz OQZYAILQXDXHLO-UHFFFAOYSA-N 1 1 380.879 3.649 50 0 GHAAMO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@@H+](CCc4ccccc4)C3)C2=O)c1 ZINC000014969027 570371359 /nfs/dbraw/zinc/37/13/59/570371359.db2.gz AESFTXDVWJTTQP-DEOSSOPVSA-N 1 1 396.506 3.892 50 0 GHAAMO Cc1noc(C)c1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023866033 570374001 /nfs/dbraw/zinc/37/40/01/570374001.db2.gz KXBVWVTWJQETPN-UHFFFAOYSA-N 1 1 389.499 3.768 50 0 GHAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000229929014 570378454 /nfs/dbraw/zinc/37/84/54/570378454.db2.gz FCMQHASXPSSXFU-DOPJRALCSA-N 1 1 388.899 3.926 50 0 GHAAMO CCOc1ccccc1C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000024830443 570394767 /nfs/dbraw/zinc/39/47/67/570394767.db2.gz JGBPJZNFSZDZOH-UHFFFAOYSA-N 1 1 375.472 3.592 50 0 GHAAMO CC(C)[C@@H](CNC(=O)c1cc(=O)c2ccccc2o1)[N@H+]1CCc2ccccc2C1 ZINC000025536333 570415310 /nfs/dbraw/zinc/41/53/10/570415310.db2.gz QGHHFFGTALUZKB-HXUWFJFHSA-N 1 1 390.483 3.606 50 0 GHAAMO O=C(CC[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1)Nc1cccc2ccccc21 ZINC000026134683 570422827 /nfs/dbraw/zinc/42/28/27/570422827.db2.gz HSDADUFUCQDMNY-OAQYLSRUSA-N 1 1 391.471 3.542 50 0 GHAAMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000242178800 570432011 /nfs/dbraw/zinc/43/20/11/570432011.db2.gz XAZFQMIBQPIPPL-BEFAXECRSA-N 1 1 384.451 3.611 50 0 GHAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000242178800 570432014 /nfs/dbraw/zinc/43/20/14/570432014.db2.gz XAZFQMIBQPIPPL-BEFAXECRSA-N 1 1 384.451 3.611 50 0 GHAAMO OC[C@H]1CCC[N@H+]1C[C@@H]1CCCN1c1ncnc2scc(-c3ccccc3)c21 ZINC000079016308 570510079 /nfs/dbraw/zinc/51/00/79/570510079.db2.gz RHGCYRYBGZAZFQ-ZWKOTPCHSA-N 1 1 394.544 3.784 50 0 GHAAMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000072313892 570652574 /nfs/dbraw/zinc/65/25/74/570652574.db2.gz NUONCDWWIZHTIW-YPMHNXCESA-N 1 1 392.385 3.814 50 0 GHAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2ccoc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000012431573 570660293 /nfs/dbraw/zinc/66/02/93/570660293.db2.gz DJEYFVNLQUHUFP-JOCHJYFZSA-N 1 1 395.547 3.616 50 0 GHAAMO O=C(CSc1ccccn1)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000012436029 570662137 /nfs/dbraw/zinc/66/21/37/570662137.db2.gz CNAQPTTUSARUED-KRWDZBQOSA-N 1 1 375.925 3.608 50 0 GHAAMO O=C(CSc1ccccn1)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000012436029 570662139 /nfs/dbraw/zinc/66/21/39/570662139.db2.gz CNAQPTTUSARUED-KRWDZBQOSA-N 1 1 375.925 3.608 50 0 GHAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](C3CCOCC3)C2)cc1Cl ZINC000012472329 570673249 /nfs/dbraw/zinc/67/32/49/570673249.db2.gz YFARSGQUJLGHJE-OAHLLOKOSA-N 1 1 380.916 3.958 50 0 GHAAMO Cc1nc(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)cs1 ZINC000012477478 570674372 /nfs/dbraw/zinc/67/43/72/570674372.db2.gz SVDLXONCLRDHOT-NRFANRHFSA-N 1 1 375.582 3.889 50 0 GHAAMO Cc1cc(C)nc(Nc2ccc(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)cc2)n1 ZINC000526052350 570683304 /nfs/dbraw/zinc/68/33/04/570683304.db2.gz AQKPYBIWXSAEIA-TZIWHRDSSA-N 1 1 393.535 3.831 50 0 GHAAMO Cc1ccc(S(=O)(=O)NC[C@H]([NH2+]Cc2ccc(F)cc2)c2ccccc2)cc1 ZINC000058167052 570713907 /nfs/dbraw/zinc/71/39/07/570713907.db2.gz XESQXNBOZHPWKO-QFIPXVFZSA-N 1 1 398.503 3.944 50 0 GHAAMO O=C(C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1)Nc1cccc2nsnc21 ZINC000019079678 570730570 /nfs/dbraw/zinc/73/05/70/570730570.db2.gz VTFZPJGWZPTOHR-UHFFFAOYSA-N 1 1 389.484 3.900 50 0 GHAAMO O=C(C[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1)Nc1cccc2nsnc21 ZINC000019079678 570730572 /nfs/dbraw/zinc/73/05/72/570730572.db2.gz VTFZPJGWZPTOHR-UHFFFAOYSA-N 1 1 389.484 3.900 50 0 GHAAMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000096743029 570779004 /nfs/dbraw/zinc/77/90/04/570779004.db2.gz OPTVQJUVXQHOFY-CQSZACIVSA-N 1 1 394.924 3.765 50 0 GHAAMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000096743029 570779005 /nfs/dbraw/zinc/77/90/05/570779005.db2.gz OPTVQJUVXQHOFY-CQSZACIVSA-N 1 1 394.924 3.765 50 0 GHAAMO CC(C)[C@H](NC1CC[NH+](CCC(F)(F)F)CC1)c1nc(-c2cccnc2)no1 ZINC000170072050 570801269 /nfs/dbraw/zinc/80/12/69/570801269.db2.gz UETQXPBRNFRSPB-INIZCTEOSA-N 1 1 397.445 3.835 50 0 GHAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1)c1ccc(F)cc1 ZINC000014954209 570865480 /nfs/dbraw/zinc/86/54/80/570865480.db2.gz GIPYLXCGONKMHR-IBGZPJMESA-N 1 1 392.478 3.653 50 0 GHAAMO COc1ccc([C@H]2CCC[N@H+]2CCC(=O)N2CCc3ccccc32)c(OC)c1 ZINC000032870884 570869812 /nfs/dbraw/zinc/86/98/12/570869812.db2.gz HAQQFRYQMYYJAO-OAQYLSRUSA-N 1 1 380.488 3.820 50 0 GHAAMO c1ccc(-c2nnc3n2CC[N@H+](Cc2ccc(Oc4ncccn4)cc2)CC3)cc1 ZINC000015003043 570870793 /nfs/dbraw/zinc/87/07/93/570870793.db2.gz ZELPFLIDDUYTED-UHFFFAOYSA-N 1 1 398.470 3.586 50 0 GHAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000015063365 570875333 /nfs/dbraw/zinc/87/53/33/570875333.db2.gz LAJWJMNFVSBSKX-SFHVURJKSA-N 1 1 383.923 3.795 50 0 GHAAMO O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000015077330 570878932 /nfs/dbraw/zinc/87/89/32/570878932.db2.gz IHCZDPPMQKMTKK-IBGZPJMESA-N 1 1 381.476 3.807 50 0 GHAAMO O=C(c1n[nH]c2c1CCc1ccccc1-2)N1CCC(CC[NH+]2CCCC2)CC1 ZINC000033265828 570884176 /nfs/dbraw/zinc/88/41/76/570884176.db2.gz JVOCGVFLZWJFGM-UHFFFAOYSA-N 1 1 378.520 3.513 50 0 GHAAMO CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000032892863 570889846 /nfs/dbraw/zinc/88/98/46/570889846.db2.gz NKJOJHJBWSMDEY-HSZRJFAPSA-N 1 1 395.547 3.929 50 0 GHAAMO Cc1ccccc1NC(=S)N[C@H](C)[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000022456975 570896603 /nfs/dbraw/zinc/89/66/03/570896603.db2.gz LFWPVSNFMSKJIR-APWZRJJASA-N 1 1 388.606 3.720 50 0 GHAAMO Cc1ccccc1NC(=S)N[C@H](C)[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000022456975 570896605 /nfs/dbraw/zinc/89/66/05/570896605.db2.gz LFWPVSNFMSKJIR-APWZRJJASA-N 1 1 388.606 3.720 50 0 GHAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)[NH+]2CCCC2)o1 ZINC000015860481 570907262 /nfs/dbraw/zinc/90/72/62/570907262.db2.gz VUIWPXWWGGRULD-GOSISDBHSA-N 1 1 394.471 3.878 50 0 GHAAMO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012789626 570948157 /nfs/dbraw/zinc/94/81/57/570948157.db2.gz VOILBQJDEWPWOX-NLWGTHIKSA-N 1 1 379.504 3.603 50 0 GHAAMO Cc1cccc(NC(=O)CSc2nnc([C@@H]([NH3+])Cc3ccccc3)o2)c1C ZINC000001267747 570951365 /nfs/dbraw/zinc/95/13/65/570951365.db2.gz SXNSWWBMGABDNA-INIZCTEOSA-N 1 1 382.489 3.660 50 0 GHAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccccn2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000001277533 570952495 /nfs/dbraw/zinc/95/24/95/570952495.db2.gz HBFZNKLHHSIZCR-JOCHJYFZSA-N 1 1 377.532 3.775 50 0 GHAAMO COc1cccc(C[C@]2(CO)CCC[N@H+](Cc3nc(-c4ccccc4)no3)C2)c1 ZINC000019224998 570963940 /nfs/dbraw/zinc/96/39/40/570963940.db2.gz ZTZOJEAXLOAXHM-HSZRJFAPSA-N 1 1 393.487 3.562 50 0 GHAAMO COc1cccc(C[C@]2(CO)CCC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)c1 ZINC000019224998 570963945 /nfs/dbraw/zinc/96/39/45/570963945.db2.gz ZTZOJEAXLOAXHM-HSZRJFAPSA-N 1 1 393.487 3.562 50 0 GHAAMO C[C@@H]1CCC[N@@H+](CC2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)C1 ZINC000033312313 570971354 /nfs/dbraw/zinc/97/13/54/570971354.db2.gz AXHDPSFWBWOWLB-CQSZACIVSA-N 1 1 388.936 3.612 50 0 GHAAMO COCc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000107543736 570974424 /nfs/dbraw/zinc/97/44/24/570974424.db2.gz NVQGKKMMXKJDQH-SCLBCKFNSA-N 1 1 380.847 3.641 50 0 GHAAMO COCc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000107543736 570974429 /nfs/dbraw/zinc/97/44/29/570974429.db2.gz NVQGKKMMXKJDQH-SCLBCKFNSA-N 1 1 380.847 3.641 50 0 GHAAMO COc1cc(Br)c(C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1OC ZINC000108173831 570984821 /nfs/dbraw/zinc/98/48/21/570984821.db2.gz QTVSEPITZHHBAR-DZGCQCFKSA-N 1 1 386.330 3.695 50 0 GHAAMO COc1cc(Br)c(C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1OC ZINC000108173831 570984825 /nfs/dbraw/zinc/98/48/25/570984825.db2.gz QTVSEPITZHHBAR-DZGCQCFKSA-N 1 1 386.330 3.695 50 0 GHAAMO COCCOC1CC[NH+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000116886512 571003682 /nfs/dbraw/zinc/00/36/82/571003682.db2.gz HFAICHGDTZQBFN-OAQYLSRUSA-N 1 1 386.467 3.633 50 0 GHAAMO Cc1[nH]c2c(cccc2F)c1CC(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000091461818 571009255 /nfs/dbraw/zinc/00/92/55/571009255.db2.gz PKMYSNVFAXVGGB-UHFFFAOYSA-N 1 1 376.435 3.968 50 0 GHAAMO O=C(N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2)C1(c2ccccc2)CC1 ZINC000091662989 571024164 /nfs/dbraw/zinc/02/41/64/571024164.db2.gz BMAUHDJEXJDQDY-SIKLNZKXSA-N 1 1 378.491 3.980 50 0 GHAAMO O=C1[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cscn3)CC2)CN1C1CC1 ZINC000091756171 571029859 /nfs/dbraw/zinc/02/98/59/571029859.db2.gz VDHUULZAPULFKH-HXUWFJFHSA-N 1 1 381.545 3.904 50 0 GHAAMO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc(Oc4ccccc4)cc3)C2)CN1CCO ZINC000092078399 571044445 /nfs/dbraw/zinc/04/44/45/571044445.db2.gz OXIUSBKPEKWXNR-XMMPIXPASA-N 1 1 394.515 3.676 50 0 GHAAMO CC(C)n1cc(C[N@H+]2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000095379254 571066306 /nfs/dbraw/zinc/06/63/06/571066306.db2.gz UBTPOCCTGVTFNE-VLCRHTCISA-N 1 1 386.490 3.804 50 0 GHAAMO CC(C)n1cc(CN2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000095379254 571066308 /nfs/dbraw/zinc/06/63/08/571066308.db2.gz UBTPOCCTGVTFNE-VLCRHTCISA-N 1 1 386.490 3.804 50 0 GHAAMO O=C(C[NH+]1CCC(c2ccccc2)CC1)NCc1cc(-c2ccc(F)cc2)no1 ZINC000095383556 571069105 /nfs/dbraw/zinc/06/91/05/571069105.db2.gz MGGRPDGJZKONJW-UHFFFAOYSA-N 1 1 393.462 3.977 50 0 GHAAMO Cc1nc(C2CC2)ncc1C(=O)N(CCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000095505504 571078422 /nfs/dbraw/zinc/07/84/22/571078422.db2.gz GHUQDUWJJSUMBW-HXUWFJFHSA-N 1 1 392.547 3.689 50 0 GHAAMO CCc1ocnc1C(=O)N(CC)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000095520600 571086533 /nfs/dbraw/zinc/08/65/33/571086533.db2.gz MDMRPHKFCJRCHY-GOSISDBHSA-N 1 1 387.499 3.793 50 0 GHAAMO Cc1ccc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CCC2)cc1C ZINC000095531180 571093285 /nfs/dbraw/zinc/09/32/85/571093285.db2.gz BCNCBEYKTYVYNU-UHFFFAOYSA-N 1 1 392.547 3.703 50 0 GHAAMO CCC[C@@]1(COC)CCC[N@H+]1Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000194944150 836773960 /nfs/dbraw/zinc/77/39/60/836773960.db2.gz DWRKJBXTRGUIEJ-FQEVSTJZSA-N 1 1 375.469 3.535 50 0 GHAAMO Cc1c[nH+]c(C[C@H]2CCCN(C(=O)NCC(C)C)C2)n1Cc1ccc(F)cc1 ZINC000257192556 838962111 /nfs/dbraw/zinc/96/21/11/838962111.db2.gz UZCGMPLMRKLGCY-LJQANCHMSA-N 1 1 386.515 3.999 50 0 GHAAMO CCc1nc2cc(NC(=O)N3CCC[N@@H+](Cc4cccs4)CC3)ccc2[nH]1 ZINC000299768246 840765977 /nfs/dbraw/zinc/76/59/77/840765977.db2.gz JJFCBBXLNRBBJC-UHFFFAOYSA-N 1 1 383.521 3.927 50 0 GHAAMO CCc1nc2ccc(NC(=O)N3CCC[N@H+](Cc4cccs4)CC3)cc2[nH]1 ZINC000299768246 840765980 /nfs/dbraw/zinc/76/59/80/840765980.db2.gz JJFCBBXLNRBBJC-UHFFFAOYSA-N 1 1 383.521 3.927 50 0 GHAAMO CCc1nc2ccc(NC(=O)N3CCC[N@@H+](Cc4cccs4)CC3)cc2[nH]1 ZINC000299768246 840765986 /nfs/dbraw/zinc/76/59/86/840765986.db2.gz JJFCBBXLNRBBJC-UHFFFAOYSA-N 1 1 383.521 3.927 50 0 GHAAMO Cc1ccc(N2CCC(C(=O)N3CCC(Oc4ccccc4)CC3)CC2)[nH+]c1 ZINC000194313503 846518777 /nfs/dbraw/zinc/51/87/77/846518777.db2.gz UIONZAMWABAMDY-UHFFFAOYSA-N 1 1 379.504 3.676 50 0 GHAAMO Cc1c2ccccc2[nH]c1CN1CC[N@@H+](Cc2ccccc2C)[C@@H](CCO)C1 ZINC000022919210 846956456 /nfs/dbraw/zinc/95/64/56/846956456.db2.gz IBESOOHXWLSZBX-NRFANRHFSA-N 1 1 377.532 3.854 50 0 GHAAMO COc1cccc(N2CCC([N@H+]3CCC[C@H](CCC(=O)N4CCCC4)C3)CC2)c1 ZINC000012448734 862407003 /nfs/dbraw/zinc/40/70/03/862407003.db2.gz OGSFYSZLLSCRFJ-HXUWFJFHSA-N 1 1 399.579 3.779 50 0 GHAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1 ZINC000038629183 856218741 /nfs/dbraw/zinc/21/87/41/856218741.db2.gz QYARIOIYWQZOBC-GFCCVEGCSA-N 1 1 379.334 3.636 50 0 GHAAMO C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000068845513 856605440 /nfs/dbraw/zinc/60/54/40/856605440.db2.gz LKKXZLZCBRMYMC-IBGZPJMESA-N 1 1 385.504 3.627 50 0 GHAAMO Cc1c(C(=O)NC2CCC(C)CC2)nnn1-c1cccc2c1CC[N@H+](C(C)C)C2 ZINC000069951140 857164312 /nfs/dbraw/zinc/16/43/12/857164312.db2.gz OYKDPNTWNYXJSR-UHFFFAOYSA-N 1 1 395.551 3.651 50 0 GHAAMO CCOc1c(C[N@@H+]2CC[C@@H](OCc3c(C)noc3C)C2)c(C)nn1CC(C)C ZINC000370730723 862886530 /nfs/dbraw/zinc/88/65/30/862886530.db2.gz QBEUYCDMGDSYGY-GOSISDBHSA-N 1 1 390.528 3.642 50 0 GHAAMO CCOc1c(C[N@H+]2CC[C@@H](OCc3c(C)noc3C)C2)c(C)nn1CC(C)C ZINC000370730723 862886552 /nfs/dbraw/zinc/88/65/52/862886552.db2.gz QBEUYCDMGDSYGY-GOSISDBHSA-N 1 1 390.528 3.642 50 0 GHAAMO Cc1cc(C)c(NC(=O)C[N@H+](C)CCC(=O)Nc2ccc(F)c(F)c2)c(C)c1 ZINC000012978493 859709843 /nfs/dbraw/zinc/70/98/43/859709843.db2.gz SSJRLFOHCIMUQD-UHFFFAOYSA-N 1 1 389.446 3.789 50 0 GHAAMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCC(=O)Nc2ccc(F)c(F)c2)c(C)c1 ZINC000012978493 859709847 /nfs/dbraw/zinc/70/98/47/859709847.db2.gz SSJRLFOHCIMUQD-UHFFFAOYSA-N 1 1 389.446 3.789 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@@H](COc3ccccc3C(=O)NC(C)C)C2)n1 ZINC000169765123 859745827 /nfs/dbraw/zinc/74/58/27/859745827.db2.gz GLBHVWXBNGLDRM-GOSISDBHSA-N 1 1 397.519 3.519 50 0 GHAAMO Cc1[nH+]ccn1CC(=O)N1CCC[C@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000618238886 859971602 /nfs/dbraw/zinc/97/16/02/859971602.db2.gz LEUFOIKFWLSDDD-GOSISDBHSA-N 1 1 381.398 3.714 50 0 GHAAMO Cn1cc(C[C@@H]2CC[N@H+]([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C2)cn1 ZINC000328594284 860178757 /nfs/dbraw/zinc/17/87/57/860178757.db2.gz PSORVTMGAFRIOZ-JTSKRJEESA-N 1 1 392.478 3.804 50 0 GHAAMO COc1ccc(OC)c([C@H]2CC[N@H+](Cc3nc(Cc4ccccc4)no3)C2)c1 ZINC000019792746 860369202 /nfs/dbraw/zinc/36/92/02/860369202.db2.gz RYKKCHSJIWLSHK-KRWDZBQOSA-N 1 1 379.460 3.667 50 0 GHAAMO COc1ccc(OC)c([C@H]2CC[N@@H+](Cc3nc(Cc4ccccc4)no3)C2)c1 ZINC000019792746 860369206 /nfs/dbraw/zinc/36/92/06/860369206.db2.gz RYKKCHSJIWLSHK-KRWDZBQOSA-N 1 1 379.460 3.667 50 0 GHAAMO Cc1ccc(C[N@@H+]2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)cc1 ZINC000021261936 860754738 /nfs/dbraw/zinc/75/47/38/860754738.db2.gz SDEBEQIQFQOPMI-UHFFFAOYSA-N 1 1 388.471 3.858 50 0 GHAAMO Cc1ccc(C[N@H+]2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)cc1 ZINC000021261936 860754745 /nfs/dbraw/zinc/75/47/45/860754745.db2.gz SDEBEQIQFQOPMI-UHFFFAOYSA-N 1 1 388.471 3.858 50 0 GHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O ZINC000096114402 860786129 /nfs/dbraw/zinc/78/61/29/860786129.db2.gz VEIYYDIBKOCFJA-MRXNPFEDSA-N 1 1 396.487 3.607 50 0 biogenic GHAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2cccc(Cl)c2)CC1 ZINC000022460192 861126509 /nfs/dbraw/zinc/12/65/09/861126509.db2.gz KFOGXLJGVWEUII-BEFAXECRSA-N 1 1 391.968 3.899 50 0 GHAAMO Cc1nc(C[NH+]2CCC(CNC(=O)C3=Cc4ccccc4OC=C3)CC2)cs1 ZINC000825317550 864393465 /nfs/dbraw/zinc/39/34/65/864393465.db2.gz ZQIAZMCOYLYJKY-UHFFFAOYSA-N 1 1 395.528 3.769 50 0 GHAAMO COc1cc(C)c(NC(=O)N(C)[C@H]2CCC[C@H]2[N@H+]2CC[C@@H](OC)C2)c(C)c1C ZINC000626564610 864466837 /nfs/dbraw/zinc/46/68/37/864466837.db2.gz SZDCEJVVAQNXGQ-CEXWTWQISA-N 1 1 389.540 3.726 50 0 GHAAMO Cc1ccoc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000825636352 864467231 /nfs/dbraw/zinc/46/72/31/864467231.db2.gz AJAQTMKPPBOPOU-SFHVURJKSA-N 1 1 392.503 3.631 50 0 GHAAMO O=C(CCc1cccnc1)NC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000827822395 865128069 /nfs/dbraw/zinc/12/80/69/865128069.db2.gz GADFVSNFYLCXKQ-IBGZPJMESA-N 1 1 377.488 3.789 50 0 GHAAMO O=C(Cc1cccs1)NC[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000827855714 865138219 /nfs/dbraw/zinc/13/82/19/865138219.db2.gz XYJMWSHTSKZANH-SFHVURJKSA-N 1 1 394.544 3.505 50 0 GHAAMO O=C(NCc1ccccc1)c1ccccc1OC1C[NH+](CCc2ccccc2)C1 ZINC000581789765 870004151 /nfs/dbraw/zinc/00/41/51/870004151.db2.gz NBYRXULBFYOZJU-UHFFFAOYSA-N 1 1 386.495 3.922 50 0 GHAAMO Cc1c[nH+]c(C[C@H]2CCN(C(=O)Nc3ccc4c(c3)OCCO4)C2)n1C(C)C ZINC000581806241 870029522 /nfs/dbraw/zinc/02/95/22/870029522.db2.gz NNHXOTAOTQJWLL-MRXNPFEDSA-N 1 1 384.480 3.640 50 0 GHAAMO C[NH+](C)[C@H](CNC(=O)/C=C/c1cnc2ccccc2n1)c1ccccc1Cl ZINC000023080287 873528258 /nfs/dbraw/zinc/52/82/58/873528258.db2.gz BTUACYKXCSSONW-YVNCXZRQSA-N 1 1 380.879 3.716 50 0 GHAAMO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000152484600 878787810 /nfs/dbraw/zinc/78/78/10/878787810.db2.gz IEWUWQVEYMDLQL-QGZVFWFLSA-N 1 1 381.524 3.863 50 0 GHAAMO Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000152484600 878787823 /nfs/dbraw/zinc/78/78/23/878787823.db2.gz IEWUWQVEYMDLQL-QGZVFWFLSA-N 1 1 381.524 3.863 50 0 GHAAMO Cn1cc(C[N@H+](C)Cc2ccc(OC[C@H]3CCCO3)cc2)c(C(F)(F)F)n1 ZINC000093989146 912549585 /nfs/dbraw/zinc/54/95/85/912549585.db2.gz GGJIPDBFEHFIKK-QGZVFWFLSA-N 1 1 383.414 3.629 50 0 GHAAMO Cn1cc(C[N@@H+](C)Cc2ccc(OC[C@H]3CCCO3)cc2)c(C(F)(F)F)n1 ZINC000093989146 912549602 /nfs/dbraw/zinc/54/96/02/912549602.db2.gz GGJIPDBFEHFIKK-QGZVFWFLSA-N 1 1 383.414 3.629 50 0 GHAAMO CC[N@H+]1CCCC[C@H]1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000104317542 904571373 /nfs/dbraw/zinc/57/13/73/904571373.db2.gz QVBRSUBKBMNDHQ-SFHVURJKSA-N 1 1 398.469 3.744 50 0 GHAAMO Cc1c(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cccc1C(=O)NC(C)(C)C ZINC000952974155 904653075 /nfs/dbraw/zinc/65/30/75/904653075.db2.gz IXOTWZCTYUGAKU-FQEVSTJZSA-N 1 1 381.520 3.635 50 0 GHAAMO C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C2)CC1 ZINC000952968968 904663821 /nfs/dbraw/zinc/66/38/21/904663821.db2.gz QEGXBXXOGLLEDW-XMMPIXPASA-N 1 1 393.575 3.725 50 0 GHAAMO CN1CCN(C[C@H]2CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3)C2)CC1 ZINC000952968968 904663832 /nfs/dbraw/zinc/66/38/32/904663832.db2.gz QEGXBXXOGLLEDW-XMMPIXPASA-N 1 1 393.575 3.725 50 0 GHAAMO CN1CCN(C[C@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C2)CC1 ZINC000952968968 904663844 /nfs/dbraw/zinc/66/38/44/904663844.db2.gz QEGXBXXOGLLEDW-XMMPIXPASA-N 1 1 393.575 3.725 50 0 GHAAMO C[N@@H+](Cc1ccc(OCCn2ccnc2)cc1)Cc1ccc2nsnc2c1 ZINC000952981578 904667261 /nfs/dbraw/zinc/66/72/61/904667261.db2.gz NXPKALINDYVNIA-UHFFFAOYSA-N 1 1 379.489 3.599 50 0 GHAAMO CN(Cc1ccc2nsnc2c1)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000020212117 919616693 /nfs/dbraw/zinc/61/66/93/919616693.db2.gz RGRFEQBUYONHCP-LJQANCHMSA-N 1 1 378.545 3.755 50 0 GHAAMO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+]2CCC[C@H](CO)C2)cc1 ZINC000020994956 919677366 /nfs/dbraw/zinc/67/73/66/919677366.db2.gz NBPFUIRGRRFMKO-KRWDZBQOSA-N 1 1 395.478 3.891 50 0 GHAAMO Cc1cccc(CN(Cc2ccccc2)C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC000426409147 231216214 /nfs/dbraw/zinc/21/62/14/231216214.db2.gz VTYOTGXECALPSM-NRFANRHFSA-N 1 1 380.536 3.832 50 0 GHAAMO O=C1C[C@@H](C[N@@H+](Cc2ccncc2)Cc2ccc(O)cc2)CN1c1ccccc1 ZINC000426510622 231232339 /nfs/dbraw/zinc/23/23/39/231232339.db2.gz LWOYJPZZNLUCRI-NRFANRHFSA-N 1 1 387.483 3.843 50 0 GHAAMO CCOc1ccccc1NC(=O)[C@H](Sc1nc(N)cc(N)[nH+]1)c1ccccc1 ZINC000006831835 204213920 /nfs/dbraw/zinc/21/39/20/204213920.db2.gz CBBXDBUXUVTUSV-GOSISDBHSA-N 1 1 395.488 3.512 50 0 GHAAMO COC(=O)c1sc2nc(C)nc(N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2c1C ZINC000007974154 204256772 /nfs/dbraw/zinc/25/67/72/204256772.db2.gz WFUCBTPVSKLHSB-INIZCTEOSA-N 1 1 396.516 3.781 50 0 GHAAMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)NCCOc1ccccc1 ZINC000008727717 204285870 /nfs/dbraw/zinc/28/58/70/204285870.db2.gz LSUJQLJPXWTJRZ-KRWDZBQOSA-N 1 1 395.528 3.671 50 0 GHAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)NCCOc1ccccc1 ZINC000008727717 204285871 /nfs/dbraw/zinc/28/58/71/204285871.db2.gz LSUJQLJPXWTJRZ-KRWDZBQOSA-N 1 1 395.528 3.671 50 0 GHAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N1CCc2ccccc21 ZINC000008278428 204268941 /nfs/dbraw/zinc/26/89/41/204268941.db2.gz UJQIBYBLELSUGP-LJQANCHMSA-N 1 1 378.472 3.574 50 0 GHAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N1CCc2ccccc21 ZINC000008278428 204268945 /nfs/dbraw/zinc/26/89/45/204268945.db2.gz UJQIBYBLELSUGP-LJQANCHMSA-N 1 1 378.472 3.574 50 0 GHAAMO CCC(CC)C(=O)N1CCN(c2nc(Nc3ccc(C)cc3)cc(C)[nH+]2)CC1 ZINC000009573234 204315517 /nfs/dbraw/zinc/31/55/17/204315517.db2.gz VCCGRAPBCGJINK-UHFFFAOYSA-N 1 1 381.524 3.922 50 0 GHAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)CCc1ccccn1 ZINC000011665007 204349752 /nfs/dbraw/zinc/34/97/52/204349752.db2.gz QIDNPSCANQMTCU-NRFANRHFSA-N 1 1 397.538 3.957 50 0 GHAAMO CC(C)c1[nH+]ccn1Cc1cc(C(=O)N(C)[C@H]2CCCc3ccccc32)[nH]n1 ZINC000011664600 204350166 /nfs/dbraw/zinc/35/01/66/204350166.db2.gz PAMLOQYQWNACSR-FQEVSTJZSA-N 1 1 377.492 3.928 50 0 GHAAMO Cc1ncsc1C(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000011816731 204354347 /nfs/dbraw/zinc/35/43/47/204354347.db2.gz YTVKFACGDXAPGL-MRXNPFEDSA-N 1 1 375.513 3.617 50 0 GHAAMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccc(O)cc2OC)C1 ZINC000011998889 204365373 /nfs/dbraw/zinc/36/53/73/204365373.db2.gz NLLMVBBOFWCZRQ-QHCPKHFHSA-N 1 1 383.488 3.789 50 0 GHAAMO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)c2c1c(C)n[nH]c2=O ZINC000011290978 204344022 /nfs/dbraw/zinc/34/40/22/204344022.db2.gz CPSCOQAITFSYSM-UHFFFAOYSA-N 1 1 396.491 3.501 50 0 GHAAMO Cc1oc(NC(=O)C[N@H+](C)Cc2ccc(C(C)(C)C)cc2)c2c1c(C)n[nH]c2=O ZINC000011290978 204344025 /nfs/dbraw/zinc/34/40/25/204344025.db2.gz CPSCOQAITFSYSM-UHFFFAOYSA-N 1 1 396.491 3.501 50 0 GHAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)c1ccc2[nH]cnc2c1 ZINC000012317014 204394951 /nfs/dbraw/zinc/39/49/51/204394951.db2.gz SGIKHGXODGQXQT-SFHVURJKSA-N 1 1 394.494 3.729 50 0 GHAAMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CCC(=O)c2ccc(F)cc2)C1 ZINC000012314766 204395959 /nfs/dbraw/zinc/39/59/59/204395959.db2.gz HSPMUUOMYIOBSV-OAQYLSRUSA-N 1 1 382.479 3.912 50 0 GHAAMO CSCC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000014972552 204550100 /nfs/dbraw/zinc/55/01/00/204550100.db2.gz SOKQVKLJIABVFM-MRXNPFEDSA-N 1 1 388.499 3.781 50 0 GHAAMO CCCCCOc1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCOCC2)cc1 ZINC000015831573 204578521 /nfs/dbraw/zinc/57/85/21/204578521.db2.gz ZXRYVNZKYAATAV-NRFANRHFSA-N 1 1 388.552 3.973 50 0 GHAAMO c1ccc(-c2nnc([C@@H](c3ccccc3)[NH+]3CCC4(CC3)OCCO4)o2)cc1 ZINC000016493554 204596419 /nfs/dbraw/zinc/59/64/19/204596419.db2.gz ZVHBEFMMGQNEBW-LJQANCHMSA-N 1 1 377.444 3.665 50 0 GHAAMO COc1ccc(OC[C@H](O)C[N@@H+](CCC(C)C)Cc2cccc(OC)c2)cc1 ZINC000036100350 205004781 /nfs/dbraw/zinc/00/47/81/205004781.db2.gz LGMMPCMRXAVVFG-HXUWFJFHSA-N 1 1 387.520 3.992 50 0 GHAAMO COc1ccccc1C[N@@H+](Cc1ccco1)C[C@@H](O)COCc1ccccc1 ZINC000036102686 205005843 /nfs/dbraw/zinc/00/58/43/205005843.db2.gz ARFUBIIDUYKATJ-OAQYLSRUSA-N 1 1 381.472 3.868 50 0 GHAAMO COc1ccccc1C[N@H+](Cc1ccco1)C[C@@H](O)COCc1ccccc1 ZINC000036102686 205005847 /nfs/dbraw/zinc/00/58/47/205005847.db2.gz ARFUBIIDUYKATJ-OAQYLSRUSA-N 1 1 381.472 3.868 50 0 GHAAMO C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1ccccc1Cl ZINC000040050645 205046845 /nfs/dbraw/zinc/04/68/45/205046845.db2.gz DCCFSUIDWZDUIS-GOSISDBHSA-N 1 1 386.858 3.902 50 0 GHAAMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)CCc3ccccc3F)cc2)C[C@H](C)O1 ZINC000040087467 205051495 /nfs/dbraw/zinc/05/14/95/205051495.db2.gz IYSVGIYQIQPONC-HDICACEKSA-N 1 1 384.495 3.684 50 0 GHAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000051375808 205133098 /nfs/dbraw/zinc/13/30/98/205133098.db2.gz FXRJDFUISBOYPZ-PGRDOPGGSA-N 1 1 381.495 3.605 50 0 GHAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000051375808 205133101 /nfs/dbraw/zinc/13/31/01/205133101.db2.gz FXRJDFUISBOYPZ-PGRDOPGGSA-N 1 1 381.495 3.605 50 0 GHAAMO Cc1c(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)[nH]c2c1C(=O)CCC2 ZINC000052966021 205134631 /nfs/dbraw/zinc/13/46/31/205134631.db2.gz JQFKSZKATXZBKD-UHFFFAOYSA-N 1 1 399.922 3.890 50 0 GHAAMO OCCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3)cc1 ZINC000055107402 205144005 /nfs/dbraw/zinc/14/40/05/205144005.db2.gz GGSRQJMMHPNPJY-DEOSSOPVSA-N 1 1 398.522 3.685 50 0 GHAAMO OCCOc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)cc1 ZINC000055107402 205144008 /nfs/dbraw/zinc/14/40/08/205144008.db2.gz GGSRQJMMHPNPJY-DEOSSOPVSA-N 1 1 398.522 3.685 50 0 GHAAMO OCCOc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)cc1 ZINC000055107402 205144013 /nfs/dbraw/zinc/14/40/13/205144013.db2.gz GGSRQJMMHPNPJY-DEOSSOPVSA-N 1 1 398.522 3.685 50 0 GHAAMO CCC[N@H+]1CCC[C@H](CNC(=O)c2cccc(NCc3cccnc3)c2C)C1 ZINC000055308019 205147343 /nfs/dbraw/zinc/14/73/43/205147343.db2.gz PNSXDLDLGVWDKP-HXUWFJFHSA-N 1 1 380.536 3.854 50 0 GHAAMO O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057152997 205154874 /nfs/dbraw/zinc/15/48/74/205154874.db2.gz RMALHTRSFYJERQ-LJQANCHMSA-N 1 1 376.504 3.524 50 0 GHAAMO O=C(CCC(=O)c1cccs1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000058180872 205167018 /nfs/dbraw/zinc/16/70/18/205167018.db2.gz UDJMEIDAHZSWSN-HNNXBMFYSA-N 1 1 376.547 3.801 50 0 GHAAMO Cc1ccc(NC(=O)C[N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000058296239 205172362 /nfs/dbraw/zinc/17/23/62/205172362.db2.gz NFIMGCDYSSNNFC-UHFFFAOYSA-N 1 1 375.513 3.512 50 0 GHAAMO CCc1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4ccc(F)cc4)C3)C2)nc1 ZINC000067642091 205252639 /nfs/dbraw/zinc/25/26/39/205252639.db2.gz OCIVXAUOYINCTE-HSZRJFAPSA-N 1 1 381.495 3.911 50 0 GHAAMO Oc1cc(-c2csc3ccccc23)cc2c1OCC[N@H+](C[C@H]1COCCO1)C2 ZINC000067868210 205264665 /nfs/dbraw/zinc/26/46/65/205264665.db2.gz WMIIMCWEBJGNOB-KRWDZBQOSA-N 1 1 397.496 3.884 50 0 GHAAMO Oc1cc(-c2csc3ccccc23)cc2c1OCC[N@@H+](C[C@H]1COCCO1)C2 ZINC000067868210 205264667 /nfs/dbraw/zinc/26/46/67/205264667.db2.gz WMIIMCWEBJGNOB-KRWDZBQOSA-N 1 1 397.496 3.884 50 0 GHAAMO CC(C)[C@@H]1CN(C(=O)Cc2ccccc2O)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071753691 205291660 /nfs/dbraw/zinc/29/16/60/205291660.db2.gz NTOQFWADUXKCJX-NRFANRHFSA-N 1 1 384.495 3.833 50 0 GHAAMO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3OCCO)C2)cc1 ZINC000071759498 205292654 /nfs/dbraw/zinc/29/26/54/205292654.db2.gz IMBYHVBLTXUFQF-IBGZPJMESA-N 1 1 385.529 3.875 50 0 GHAAMO O=C(NC1CCCCC1)[C@H]1CCC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000069979680 205278524 /nfs/dbraw/zinc/27/85/24/205278524.db2.gz KHBTWFFHGJSJBA-HNNXBMFYSA-N 1 1 378.900 3.730 50 0 GHAAMO CCCCc1ccc(-n2cc(C[N@H+]3CCC[C@]4(CNC(=O)O4)CC3)cn2)cc1 ZINC000072161034 205314120 /nfs/dbraw/zinc/31/41/20/205314120.db2.gz GJRDFJKMHJGSCQ-JOCHJYFZSA-N 1 1 382.508 3.679 50 0 GHAAMO COc1ccc(-c2nn(-c3ccccc3F)cc2CN2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000072428817 205351199 /nfs/dbraw/zinc/35/11/99/205351199.db2.gz BQVDEEHDBHKWGH-KRWDZBQOSA-N 1 1 394.494 3.823 50 0 GHAAMO COc1ccc(-c2nc3c(C)cccc3cc2C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000072472933 205354140 /nfs/dbraw/zinc/35/41/40/205354140.db2.gz AQCLYNMQKFJXAF-LJQANCHMSA-N 1 1 389.499 3.916 50 0 GHAAMO Cc1cccc(-c2nc3cc4c(cc3cc2C[N@H+]2CC[C@](O)(CO)C2)CCC4)c1 ZINC000072427849 205348855 /nfs/dbraw/zinc/34/88/55/205348855.db2.gz XFGQQLLETVCTHK-RUZDIDTESA-N 1 1 388.511 3.628 50 0 GHAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnc(-c3ccccc3Cl)s2)C1 ZINC000078718350 205375427 /nfs/dbraw/zinc/37/54/27/205375427.db2.gz ITGBXGSZKANIBV-AWEZNQCLSA-N 1 1 393.940 3.550 50 0 GHAAMO CC(C)n1ccc2c1cccc2C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000079485314 205383265 /nfs/dbraw/zinc/38/32/65/205383265.db2.gz REFUJUWBIWWNQF-UHFFFAOYSA-N 1 1 376.504 3.618 50 0 GHAAMO Cc1ccc(-c2ccc(=O)n(C[NH2+]C3(c4ccc(F)cc4)CCOCC3)n2)s1 ZINC000095953319 205507545 /nfs/dbraw/zinc/50/75/45/205507545.db2.gz ZCAOWYGFFMZTIV-UHFFFAOYSA-N 1 1 399.491 3.672 50 0 GHAAMO O=C(Cc1cnc(-c2ccc(F)cc2)s1)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000012296926 205872456 /nfs/dbraw/zinc/87/24/56/205872456.db2.gz FVRBDNNBYUJKHE-QFBILLFUSA-N 1 1 387.524 3.872 50 0 biogenic GHAAMO CC[N@@H+](CC(=O)N[C@H](c1ccc(OC)cc1)C(C)C)C[C@@H](O)c1ccc(C)cc1 ZINC000229351831 206104530 /nfs/dbraw/zinc/10/45/30/206104530.db2.gz PYIYUMSDBPBNDI-VWNXMTODSA-N 1 1 398.547 3.872 50 0 GHAAMO CC[N@H+](CC(=O)N[C@H](c1ccc(OC)cc1)C(C)C)C[C@@H](O)c1ccc(C)cc1 ZINC000229351831 206104533 /nfs/dbraw/zinc/10/45/33/206104533.db2.gz PYIYUMSDBPBNDI-VWNXMTODSA-N 1 1 398.547 3.872 50 0 GHAAMO CC[N@H+]1CC[C@@H](CN2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)C1 ZINC000244852800 206130642 /nfs/dbraw/zinc/13/06/42/206130642.db2.gz UZFBTORZULAROL-OAQYLSRUSA-N 1 1 392.547 3.904 50 0 GHAAMO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246936908 206133426 /nfs/dbraw/zinc/13/34/26/206133426.db2.gz QOXMHYKRVXBPOR-AABGKKOBSA-N 1 1 379.589 3.830 50 0 GHAAMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246936908 206133430 /nfs/dbraw/zinc/13/34/30/206133430.db2.gz QOXMHYKRVXBPOR-AABGKKOBSA-N 1 1 379.589 3.830 50 0 GHAAMO COCC[N@H+]1CC[C@@H](CNC(=O)c2cccc(-c3ccc4[nH]ccc4c3)c2)C1 ZINC000299762200 206187152 /nfs/dbraw/zinc/18/71/52/206187152.db2.gz LYGWTMCNKQYEBP-KRWDZBQOSA-N 1 1 377.488 3.533 50 0 GHAAMO CCn1cc(-c2cccc(C(=O)N[C@@H](C)C[N@H+]3CCc4ccccc4C3)c2)cn1 ZINC000299788567 206190554 /nfs/dbraw/zinc/19/05/54/206190554.db2.gz RDEQQRMMSRHKOO-SFHVURJKSA-N 1 1 388.515 3.747 50 0 GHAAMO Cc1cccc(C[NH+]2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)n1 ZINC000055195998 206210888 /nfs/dbraw/zinc/21/08/88/206210888.db2.gz RCIPFHBSFQNXMN-UHFFFAOYSA-N 1 1 385.515 3.658 50 0 GHAAMO Cc1cccc(C)c1NC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000010340586 221100980 /nfs/dbraw/zinc/10/09/80/221100980.db2.gz OJKXLLZVFWRYDI-FQEVSTJZSA-N 1 1 379.504 3.537 50 0 GHAAMO CCC[N@@H+]1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000011814428 221126050 /nfs/dbraw/zinc/12/60/50/221126050.db2.gz VXTFXNAPGJULGL-HXUWFJFHSA-N 1 1 397.567 3.680 50 0 GHAAMO OC[C@]1(Cc2ccccc2F)CCC[N@@H+](Cc2cnc(N3CCCC3)s2)C1 ZINC000011815060 221128430 /nfs/dbraw/zinc/12/84/30/221128430.db2.gz HAKRBHNRZVXDIH-NRFANRHFSA-N 1 1 389.540 3.700 50 0 GHAAMO CO[C@H]1CC[C@@]2(OC)CC[N@@H+](Cc3cccc(OCc4ccccn4)c3)[C@H]2C1 ZINC000426443125 533260685 /nfs/dbraw/zinc/26/06/85/533260685.db2.gz GEJJTPVRVGBEIL-ACIOBRDBSA-N 1 1 382.504 3.819 50 0 GHAAMO CC[N@H+]1CCC[C@@H](CNC(=O)N(CCc2ccccc2)Cc2cccnc2)C1 ZINC000426441920 529048636 /nfs/dbraw/zinc/04/86/36/529048636.db2.gz OMZPZFLZILCWLT-QFIPXVFZSA-N 1 1 380.536 3.568 50 0 GHAAMO O=C1C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000019720581 570211406 /nfs/dbraw/zinc/21/14/06/570211406.db2.gz GJKTULAZDMNZQC-FQEVSTJZSA-N 1 1 382.891 3.927 50 0 GHAAMO Cc1ccc(C(C)C)c(OC[C@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000019721068 570211496 /nfs/dbraw/zinc/21/14/96/570211496.db2.gz VWDGESCGHQWYKL-JOCHJYFZSA-N 1 1 382.548 3.676 50 0 GHAAMO CCCc1nnsc1C(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C)C2 ZINC000096139303 570212854 /nfs/dbraw/zinc/21/28/54/570212854.db2.gz CRVPBPSTXRPADN-SFHVURJKSA-N 1 1 398.576 3.832 50 0 GHAAMO Cc1[nH+]ccn1CCC1CCN(C(=O)Nc2cccc(-n3cccn3)c2)CC1 ZINC000096149767 570214782 /nfs/dbraw/zinc/21/47/82/570214782.db2.gz IIYIRPGKSBNTSD-UHFFFAOYSA-N 1 1 378.480 3.711 50 0 GHAAMO Fc1cc(F)cc(-c2n[nH]c3c2C[N@H+]([C@H]2CCN(c4ccccc4)C2)CC3)c1 ZINC000019791294 570219570 /nfs/dbraw/zinc/21/95/70/570219570.db2.gz LJFMGFMANYSNQS-IBGZPJMESA-N 1 1 380.442 3.992 50 0 GHAAMO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000020109747 570240471 /nfs/dbraw/zinc/24/04/71/570240471.db2.gz XBQSASQTACELNN-GOSISDBHSA-N 1 1 395.330 3.864 50 0 GHAAMO CCc1ccc2oc(=O)cc(C[NH+]3CCN(c4cccc(OC)c4)CC3)c2c1 ZINC000020213252 570248706 /nfs/dbraw/zinc/24/87/06/570248706.db2.gz SOFHMVJXCLSDGK-UHFFFAOYSA-N 1 1 378.472 3.686 50 0 GHAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000020450785 570256743 /nfs/dbraw/zinc/25/67/43/570256743.db2.gz PMGIFKDVCTUQHI-QGZVFWFLSA-N 1 1 389.927 3.848 50 0 GHAAMO Cc1oc(-c2ccccc2Cl)nc1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000020450785 570256745 /nfs/dbraw/zinc/25/67/45/570256745.db2.gz PMGIFKDVCTUQHI-QGZVFWFLSA-N 1 1 389.927 3.848 50 0 GHAAMO COc1ccc(CN2CC[N@@H+](Cc3c[nH]c4ccccc34)C[C@H]2CCO)cc1C ZINC000104321583 570257392 /nfs/dbraw/zinc/25/73/92/570257392.db2.gz QAYAOIWEVBQQGZ-OAQYLSRUSA-N 1 1 393.531 3.554 50 0 GHAAMO COc1ccc(C[N@@H+]2CCN(Cc3c[nH]c4ccccc34)C[C@H]2CCO)cc1C ZINC000104321583 570257396 /nfs/dbraw/zinc/25/73/96/570257396.db2.gz QAYAOIWEVBQQGZ-OAQYLSRUSA-N 1 1 393.531 3.554 50 0 GHAAMO COc1ccc(C[N@H+]2CCN(Cc3c[nH]c4ccccc34)C[C@H]2CCO)cc1C ZINC000104321583 570257397 /nfs/dbraw/zinc/25/73/97/570257397.db2.gz QAYAOIWEVBQQGZ-OAQYLSRUSA-N 1 1 393.531 3.554 50 0 GHAAMO Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CCO4)C2)o1 ZINC000020541749 570267068 /nfs/dbraw/zinc/26/70/68/570267068.db2.gz UPYICDJJQMSYPG-SFHVURJKSA-N 1 1 382.504 3.832 50 0 GHAAMO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c(C)c1 ZINC000012893821 570286562 /nfs/dbraw/zinc/28/65/62/570286562.db2.gz MSWDNTRNVIDAAR-IBGZPJMESA-N 1 1 393.531 3.659 50 0 GHAAMO CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000012912932 570292281 /nfs/dbraw/zinc/29/22/81/570292281.db2.gz QVQWMDBAVZWSEQ-UHFFFAOYSA-N 1 1 399.579 3.865 50 0 GHAAMO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)ccc3o2)[NH+]2CCCC2)o1 ZINC000021659784 570294175 /nfs/dbraw/zinc/29/41/75/570294175.db2.gz KEVCBTCLLGPWLZ-KRWDZBQOSA-N 1 1 380.444 3.570 50 0 GHAAMO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2cc(=O)n3nc(C)sc3n2)cc1 ZINC000043272837 570298629 /nfs/dbraw/zinc/29/86/29/570298629.db2.gz CAXJZQQPGGGBPI-SFHVURJKSA-N 1 1 384.505 3.585 50 0 GHAAMO CSc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000021923097 570299212 /nfs/dbraw/zinc/29/92/12/570299212.db2.gz XLKXUHORGSSXMZ-IBGZPJMESA-N 1 1 397.588 3.573 50 0 GHAAMO COc1ccccc1C(=O)Nc1ccc(N2CCC[N@@H+](CCC(C)C)CC2)nc1 ZINC000034681821 570300292 /nfs/dbraw/zinc/30/02/92/570300292.db2.gz SUXMTWGQTOXIJS-UHFFFAOYSA-N 1 1 396.535 3.901 50 0 GHAAMO CC(C)Oc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)cc1 ZINC000022919772 570335773 /nfs/dbraw/zinc/33/57/73/570335773.db2.gz WPIRZRZDFZQBRO-QFIPXVFZSA-N 1 1 386.511 3.682 50 0 GHAAMO CC(C)Oc1ccc(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)cc1 ZINC000022919772 570335776 /nfs/dbraw/zinc/33/57/76/570335776.db2.gz WPIRZRZDFZQBRO-QFIPXVFZSA-N 1 1 386.511 3.682 50 0 GHAAMO CNC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2cnc(N3CCCC3)s2)s1 ZINC000023478421 570363248 /nfs/dbraw/zinc/36/32/48/570363248.db2.gz WWLMIHJQJAVFBL-CQSZACIVSA-N 1 1 376.551 3.502 50 0 GHAAMO CNC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2cnc(N3CCCC3)s2)s1 ZINC000023478421 570363251 /nfs/dbraw/zinc/36/32/51/570363251.db2.gz WWLMIHJQJAVFBL-CQSZACIVSA-N 1 1 376.551 3.502 50 0 GHAAMO CNC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2cnc(N3CCCC3)s2)s1 ZINC000023478419 570363329 /nfs/dbraw/zinc/36/33/29/570363329.db2.gz WWLMIHJQJAVFBL-AWEZNQCLSA-N 1 1 376.551 3.502 50 0 GHAAMO CNC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2cnc(N3CCCC3)s2)s1 ZINC000023478419 570363331 /nfs/dbraw/zinc/36/33/31/570363331.db2.gz WWLMIHJQJAVFBL-AWEZNQCLSA-N 1 1 376.551 3.502 50 0 GHAAMO C[N@H+](Cc1cc2ccccc2c(=O)[nH]1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000225386624 570375027 /nfs/dbraw/zinc/37/50/27/570375027.db2.gz JJCYOORXEQFBRI-MOPGFXCFSA-N 1 1 389.282 3.925 50 0 GHAAMO C[N@@H+](Cc1cc2ccccc2c(=O)[nH]1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000225386624 570375032 /nfs/dbraw/zinc/37/50/32/570375032.db2.gz JJCYOORXEQFBRI-MOPGFXCFSA-N 1 1 389.282 3.925 50 0 GHAAMO CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229723450 570378265 /nfs/dbraw/zinc/37/82/65/570378265.db2.gz XLGMAKFXAOFTML-QUCCMNQESA-N 1 1 380.536 3.621 50 0 GHAAMO CC(C)[C@H](CNC(=O)c1cc(=O)c2ccccc2o1)[N@H+]1CCc2ccccc2C1 ZINC000025536337 570415429 /nfs/dbraw/zinc/41/54/29/570415429.db2.gz QGHHFFGTALUZKB-FQEVSTJZSA-N 1 1 390.483 3.606 50 0 GHAAMO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCC(Cn2ccnn2)CC1 ZINC000156153994 570455266 /nfs/dbraw/zinc/45/52/66/570455266.db2.gz ZGQRVJYNTUBAQJ-OAQYLSRUSA-N 1 1 393.466 3.509 50 0 GHAAMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@@H]2C)N(CC)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000035991451 570505362 /nfs/dbraw/zinc/50/53/62/570505362.db2.gz VAIHYEADOLYZRO-LAUBAEHRSA-N 1 1 399.535 3.773 50 0 GHAAMO O=C(C[N@H+](CCC(F)(F)F)C1CCCCC1)NC(=O)NCc1ccccc1 ZINC000079055967 570510593 /nfs/dbraw/zinc/51/05/93/570510593.db2.gz RPOQBNCUYSQBTA-UHFFFAOYSA-N 1 1 385.430 3.600 50 0 GHAAMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)N2CCc3ccccc32)ccc1OC(F)F ZINC000005118859 570660410 /nfs/dbraw/zinc/66/04/10/570660410.db2.gz HTVKEVYFMQBVQC-AWEZNQCLSA-N 1 1 390.430 3.706 50 0 GHAAMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)N2CCc3ccccc32)ccc1OC(F)F ZINC000005118859 570660412 /nfs/dbraw/zinc/66/04/12/570660412.db2.gz HTVKEVYFMQBVQC-AWEZNQCLSA-N 1 1 390.430 3.706 50 0 GHAAMO Cn1cc(C[N@H+]2CCC[C@H](C(N)=O)C2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000012707907 570701170 /nfs/dbraw/zinc/70/11/70/570701170.db2.gz QGKOONUBCIDEQG-SFHVURJKSA-N 1 1 390.487 3.577 50 0 GHAAMO O=C(NC(C1CC1)C1CC1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000012711328 570702545 /nfs/dbraw/zinc/70/25/45/570702545.db2.gz ARCRLOOGBIWSQI-JOCHJYFZSA-N 1 1 395.591 3.668 50 0 GHAAMO COc1cc2c(cc1C[NH2+]Cc1cccnc1N1CCCCCCC1)OCO2 ZINC000012718905 570705834 /nfs/dbraw/zinc/70/58/34/570705834.db2.gz 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ZINC000012472269 570820580 /nfs/dbraw/zinc/82/05/80/570820580.db2.gz RNASAOISIDEMLY-QHCPKHFHSA-N 1 1 399.510 3.908 50 0 GHAAMO COc1ccc(CCNC(=O)[C@@H](C)Nc2ccc([NH+]3CCCCC3)cc2)cc1 ZINC000012507053 570822648 /nfs/dbraw/zinc/82/26/48/570822648.db2.gz HCXUZLRAWOAFED-GOSISDBHSA-N 1 1 381.520 3.845 50 0 GHAAMO CCc1cnc(N2CC[NH+]([C@@H](C)c3ccc(OC)c(NC(C)=O)c3)CC2)s1 ZINC000170602792 570861702 /nfs/dbraw/zinc/86/17/02/570861702.db2.gz XNLXROOFTRKDKU-AWEZNQCLSA-N 1 1 388.537 3.556 50 0 GHAAMO CC1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1 ZINC000014972667 570868044 /nfs/dbraw/zinc/86/80/44/570868044.db2.gz CEVYRYPKPIBVKB-HSZRJFAPSA-N 1 1 397.607 3.664 50 0 GHAAMO Cc1cc(C)nc(Nc2cccc(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)c2)n1 ZINC000170613646 570871722 /nfs/dbraw/zinc/87/17/22/570871722.db2.gz DHPJAIAGVCMRQQ-CTNGQTDRSA-N 1 1 393.535 3.831 50 0 GHAAMO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+]2CCC[C@@H](O)C2)cc1 ZINC000015063329 570875210 /nfs/dbraw/zinc/87/52/10/570875210.db2.gz 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Cc1ccc(C(C)C)c(OCC(=O)N2CCCC[C@H]2CC[NH+]2CCOCC2)c1 ZINC000015831594 570905947 /nfs/dbraw/zinc/90/59/47/570905947.db2.gz DXLJWCVNDYBJDS-FQEVSTJZSA-N 1 1 388.552 3.601 50 0 GHAAMO Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000105724184 570931526 /nfs/dbraw/zinc/93/15/26/570931526.db2.gz LRUVOCDKTKKQFV-UKRRQHHQSA-N 1 1 389.521 3.752 50 0 GHAAMO CCC(=O)N[C@@H](C)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000023181666 570944531 /nfs/dbraw/zinc/94/45/31/570944531.db2.gz WNUHFYDYCLADRY-HRAATJIYSA-N 1 1 387.549 3.535 50 0 GHAAMO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@@H+]2CCC[C@H]2c2cccs2)C1=O ZINC000252444283 570957598 /nfs/dbraw/zinc/95/75/98/570957598.db2.gz NYPCHHPZHDFKOM-PGRDOPGGSA-N 1 1 395.528 3.798 50 0 GHAAMO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+]2CCC[C@H]2c2cccs2)C1=O ZINC000252444283 570957599 /nfs/dbraw/zinc/95/75/99/570957599.db2.gz NYPCHHPZHDFKOM-PGRDOPGGSA-N 1 1 395.528 3.798 50 0 GHAAMO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000047539705 570964132 /nfs/dbraw/zinc/96/41/32/570964132.db2.gz VMFUAAZCZUIOGG-INIZCTEOSA-N 1 1 375.513 3.620 50 0 GHAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc(F)cc1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000106569237 570965140 /nfs/dbraw/zinc/96/51/40/570965140.db2.gz FXRJDFUISBOYPZ-AVRDEDQJSA-N 1 1 381.495 3.605 50 0 GHAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000106569237 570965142 /nfs/dbraw/zinc/96/51/42/570965142.db2.gz FXRJDFUISBOYPZ-AVRDEDQJSA-N 1 1 381.495 3.605 50 0 GHAAMO Cc1ccc(CS(=O)(=O)N2CCC(C[N@@H+]3CCC[C@H](C)C3)CC2)cc1C ZINC000033312366 570971856 /nfs/dbraw/zinc/97/18/56/570971856.db2.gz FDEPTFUHJHGLNT-KRWDZBQOSA-N 1 1 378.582 3.577 50 0 GHAAMO Cc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012751353 571003704 /nfs/dbraw/zinc/00/37/04/571003704.db2.gz HYXUIXUQEOTSAG-RBUKOAKNSA-N 1 1 379.504 3.523 50 0 GHAAMO CCOc1ccc(CN2CC[N@@H+](Cc3c[nH]c4ccccc34)C[C@@H]2CCO)cc1 ZINC000019595232 571020872 /nfs/dbraw/zinc/02/08/72/571020872.db2.gz CICJKJQQBFPQIX-NRFANRHFSA-N 1 1 393.531 3.635 50 0 GHAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3c[nH]c4ccccc34)C[C@@H]2CCO)cc1 ZINC000019595232 571020875 /nfs/dbraw/zinc/02/08/75/571020875.db2.gz CICJKJQQBFPQIX-NRFANRHFSA-N 1 1 393.531 3.635 50 0 GHAAMO CCOc1ccc(C[N@H+]2CCN(Cc3c[nH]c4ccccc34)C[C@@H]2CCO)cc1 ZINC000019595232 571020879 /nfs/dbraw/zinc/02/08/79/571020879.db2.gz CICJKJQQBFPQIX-NRFANRHFSA-N 1 1 393.531 3.635 50 0 GHAAMO Cc1[nH]c2c(c1CC(=O)NC[C@@H]1Cc3ccccc3C[N@@H+]1C)c(C)ccc2C ZINC000091665737 571025245 /nfs/dbraw/zinc/02/52/45/571025245.db2.gz HJXABWDYJVUPGX-FQEVSTJZSA-N 1 1 375.516 3.809 50 0 GHAAMO COc1ccc([C@H](CNC(=O)c2[nH]c(C)c(C(C)=O)c2C)[NH+]2CCCCC2)cc1 ZINC000012781688 571035127 /nfs/dbraw/zinc/03/51/27/571035127.db2.gz XIJJVCIDQPDCJR-FQEVSTJZSA-N 1 1 397.519 3.800 50 0 GHAAMO O=C(CCc1ccccc1)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000091908343 571035930 /nfs/dbraw/zinc/03/59/30/571035930.db2.gz XVBMEASEMLWBAE-UHFFFAOYSA-N 1 1 380.536 3.671 50 0 GHAAMO O=C(NCc1c[nH]nc1-c1ccc(Cl)cc1)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000095375236 571063585 /nfs/dbraw/zinc/06/35/85/571063585.db2.gz VPYHQQYTFIBWBY-HXUWFJFHSA-N 1 1 395.894 3.578 50 0 GHAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(Cc2ccc(C(C)=O)cc2)C3)cc1 ZINC000095389345 571072255 /nfs/dbraw/zinc/07/22/55/571072255.db2.gz KNBATKHYZOMWAL-JTHBVZDNSA-N 1 1 378.516 3.994 50 0 GHAAMO COc1ccc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccc(C(C)=O)cc3)C2)cc1 ZINC000095389345 571072259 /nfs/dbraw/zinc/07/22/59/571072259.db2.gz KNBATKHYZOMWAL-JTHBVZDNSA-N 1 1 378.516 3.994 50 0 GHAAMO COc1ccc(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccc(C(C)=O)cc3)C2)cc1 ZINC000095389345 571072262 /nfs/dbraw/zinc/07/22/62/571072262.db2.gz KNBATKHYZOMWAL-JTHBVZDNSA-N 1 1 378.516 3.994 50 0 GHAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(Cl)s1)CC2 ZINC000095501711 571076694 /nfs/dbraw/zinc/07/66/94/571076694.db2.gz JDRPHPGRCAJLBR-UHFFFAOYSA-N 1 1 378.929 3.524 50 0 GHAAMO CCc1ccc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3CC(C)C)s1 ZINC000095511592 571082664 /nfs/dbraw/zinc/08/26/64/571082664.db2.gz GONLZBLGWLGTMD-UHFFFAOYSA-N 1 1 386.565 3.679 50 0 GHAAMO O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@H]1CCC[N@H+](CCCO)C1 ZINC000095530667 571092791 /nfs/dbraw/zinc/09/27/91/571092791.db2.gz BSWDEPYGRSTTNB-IBGZPJMESA-N 1 1 377.488 3.868 50 0 GHAAMO Cc1cc(=O)[nH]c(-c2cccc(C[N@H+](C)Cc3cccc(-n4cccn4)c3)c2)n1 ZINC000023581177 836478436 /nfs/dbraw/zinc/47/84/36/836478436.db2.gz CDPUSRWLUWCUHM-UHFFFAOYSA-N 1 1 385.471 3.563 50 0 GHAAMO CCC[N@@H+](CC1CC1)[C@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2CC)C1 ZINC000014733577 838252616 /nfs/dbraw/zinc/25/26/16/838252616.db2.gz JXDIYFOQXHFPPT-SFHVURJKSA-N 1 1 398.551 3.748 50 0 GHAAMO CCN(Cc1ccncc1)C(=O)[C@@H]1OCC[N@@H+](C2CCCC2)[C@H]1c1ccccc1 ZINC000675011321 840875288 /nfs/dbraw/zinc/87/52/88/840875288.db2.gz SFQMRHPHYCRKAK-XZOQPEGZSA-N 1 1 393.531 3.815 50 0 GHAAMO C[NH+](C)[C@H](CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000079105773 848838972 /nfs/dbraw/zinc/83/89/72/848838972.db2.gz HIBUUINSJFJKDY-CQSZACIVSA-N 1 1 393.361 3.777 50 0 GHAAMO O=C(c1ccc(Br)cc1F)N1CC[NH+](CCc2ccccc2)CC1 ZINC000057810209 862249442 /nfs/dbraw/zinc/24/94/42/862249442.db2.gz ACYOIHQKVVDTHH-UHFFFAOYSA-N 1 1 391.284 3.589 50 0 GHAAMO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](Cc2[nH]cnc2C)CC1 ZINC000012429362 862322924 /nfs/dbraw/zinc/32/29/24/862322924.db2.gz SMRRNFSWIZHQQX-UHFFFAOYSA-N 1 1 375.900 3.760 50 0 GHAAMO COc1ccc(OC)c2c1cc(C(=O)N(C)C[C@@H]1CCC[N@H+]3CCCC[C@H]13)n2C ZINC000253396987 855015188 /nfs/dbraw/zinc/01/51/88/855015188.db2.gz BIHORQLSQGPDFU-FUHWJXTLSA-N 1 1 399.535 3.532 50 0 biogenic GHAAMO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CC[N@H+]1CCC[C@H](C)C1 ZINC000002365992 856804858 /nfs/dbraw/zinc/80/48/58/856804858.db2.gz RBOGMBVAAVJGDX-LBPRGKRZSA-N 1 1 377.872 3.668 50 0 GHAAMO O=C(CCc1cnccn1)N1CC[C@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000011753623 857209663 /nfs/dbraw/zinc/20/96/63/857209663.db2.gz WKZMJRIONHDUMZ-HSZRJFAPSA-N 1 1 384.568 3.694 50 0 GHAAMO CN(C(=O)Cc1cn(C)c2ccccc12)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012194820 859277480 /nfs/dbraw/zinc/27/74/80/859277480.db2.gz SVLCIWUIBYZLHD-HXUWFJFHSA-N 1 1 393.506 3.983 50 0 GHAAMO CN(C(=O)Cc1cn(C)c2ccccc12)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012194820 859277492 /nfs/dbraw/zinc/27/74/92/859277492.db2.gz SVLCIWUIBYZLHD-HXUWFJFHSA-N 1 1 393.506 3.983 50 0 GHAAMO O=C(C1CCCCC1)N1CCC([N@@H+](Cc2cccnc2)C2CCOCC2)CC1 ZINC000169759091 859728405 /nfs/dbraw/zinc/72/84/05/859728405.db2.gz FOXJMKZPFHVAFH-UHFFFAOYSA-N 1 1 385.552 3.634 50 0 GHAAMO CC[N@@H+](CCC1CCN(CC(=O)Nc2cc(F)ccc2F)CC1)CC1CC1 ZINC000095458279 860590401 /nfs/dbraw/zinc/59/04/01/860590401.db2.gz HPQFKAMGQOCIGV-UHFFFAOYSA-N 1 1 379.495 3.737 50 0 GHAAMO C[N@@H+](CCCNC(=O)COCc1cc(-c2cccs2)on1)Cc1ccccc1 ZINC000020926008 860673993 /nfs/dbraw/zinc/67/39/93/860673993.db2.gz PFZZGAUTXXUSBJ-UHFFFAOYSA-N 1 1 399.516 3.558 50 0 GHAAMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000095993285 860737418 /nfs/dbraw/zinc/73/74/18/860737418.db2.gz FBIOUCYKUOJTCX-SFHVURJKSA-N 1 1 398.555 3.969 50 0 GHAAMO COc1ccc(NC(=O)c2[nH]c3cc(C)sc3c2C[NH+]2CCOCC2)c(C)c1 ZINC000096363837 860902828 /nfs/dbraw/zinc/90/28/28/860902828.db2.gz IYIJACXHNSCHGG-UHFFFAOYSA-N 1 1 399.516 3.939 50 0 GHAAMO C[C@@H](NC(=O)c1cccc(Cl)c1)[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000022460017 861125905 /nfs/dbraw/zinc/12/59/05/861125905.db2.gz CBSHKRGBEYFKGH-RDTXWAMCSA-N 1 1 377.941 3.509 50 0 GHAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=O)Nc2cccc(C)c2)CC1 ZINC000022460682 861128080 /nfs/dbraw/zinc/12/80/80/861128080.db2.gz OVDQDHUTZFOXFF-PXNSSMCTSA-N 1 1 386.565 3.945 50 0 GHAAMO C[C@H](NC(=O)Nc1cccc(Cl)c1)[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000022460616 861128183 /nfs/dbraw/zinc/12/81/83/861128183.db2.gz HFZBCRBVOKBVCC-KBXCAEBGSA-N 1 1 392.956 3.900 50 0 GHAAMO COc1ccc(-c2nc(C[N@H+]3CCCCC[C@H]3CCO)cs2)c(OC)c1 ZINC000792925879 863246038 /nfs/dbraw/zinc/24/60/38/863246038.db2.gz MAJRYHOENJXFIW-INIZCTEOSA-N 1 1 376.522 3.954 50 0 GHAAMO C[N@@H+](CCC1CCOCC1)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000120768953 863334201 /nfs/dbraw/zinc/33/42/01/863334201.db2.gz SWEVDXVPCRNZJB-SFHVURJKSA-N 1 1 382.451 3.532 50 0 GHAAMO Cc1cc(N2CCCN(Cc3cnc(NCc4ccccc4)nc3)CC2)cc[nH+]1 ZINC000825281222 864363880 /nfs/dbraw/zinc/36/38/80/864363880.db2.gz QYPYQTYADIGKHC-UHFFFAOYSA-N 1 1 388.519 3.504 50 0 GHAAMO O=C(c1ccccc1)N1CCC2(CC1)C[N@H+]([C@@H]1CCc3ccccc3C1)CCO2 ZINC000828177839 865221073 /nfs/dbraw/zinc/22/10/73/865221073.db2.gz SFIGQJODYFJHLM-HSZRJFAPSA-N 1 1 390.527 3.551 50 0 GHAAMO Cc1ccc(C[N@H+]2CCOc3ccc(CCC(=O)NCC4CC4)cc3C2)s1 ZINC000575541657 866173871 /nfs/dbraw/zinc/17/38/71/866173871.db2.gz JKWIVPFJXWTUCC-UHFFFAOYSA-N 1 1 384.545 3.910 50 0 GHAAMO COc1ccc(C2(C(=O)N3CC[C@H](Cc4[nH+]cc(C)n4CC4CC4)C3)CC2)cc1 ZINC000575545286 866174950 /nfs/dbraw/zinc/17/49/50/866174950.db2.gz KAIPWQOLXGYTBS-LJQANCHMSA-N 1 1 393.531 3.733 50 0 GHAAMO O=c1cc(-c2ccccc2Cl)nc(-c2cccc(C[N@H+]3CCCOCC3)c2)[nH]1 ZINC000048356879 871967089 /nfs/dbraw/zinc/96/70/89/871967089.db2.gz OTOFGOLGGVANLN-UHFFFAOYSA-N 1 1 395.890 3.980 50 0 GHAAMO O=C(c1ccc(Cl)c2cccnc12)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000152175487 877144057 /nfs/dbraw/zinc/14/40/57/877144057.db2.gz VHJVDIUUSFSHLB-UHFFFAOYSA-N 1 1 387.270 3.899 50 0 GHAAMO COc1ccc2cc(CN(C)C(=O)C[N@H+]3CCC[C@@H]3c3cccn3C)ccc2c1 ZINC000007855583 878497902 /nfs/dbraw/zinc/49/79/02/878497902.db2.gz LBYKCXBTOLYWST-HSZRJFAPSA-N 1 1 391.515 3.982 50 0 GHAAMO COc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccc(C(C)C)c(C)c2)CC1 ZINC000021348145 892889788 /nfs/dbraw/zinc/88/97/88/892889788.db2.gz GDFRYIYAFBOJHM-HXUWFJFHSA-N 1 1 398.547 3.689 50 0 GHAAMO CN(Cc1ccc(C[N@H+]2CCCC[C@@H]2CCc2cccs2)o1)S(C)(=O)=O ZINC000952971250 904650070 /nfs/dbraw/zinc/65/00/70/904650070.db2.gz RVZMJOJESSWRNS-MRXNPFEDSA-N 1 1 396.578 3.720 50 0 GHAAMO Cc1cc(C)n2ncc(C[NH+]3CCC(c4nc5ccc(F)cc5[nH]4)CC3)c2n1 ZINC000952979931 904659476 /nfs/dbraw/zinc/65/94/76/904659476.db2.gz IZQCJJPSSBVRFI-UHFFFAOYSA-N 1 1 378.455 3.741 50 0 GHAAMO Cn1cnnc1Sc1ccc(C[NH+]2CCC([C@@H](O)c3cccs3)CC2)o1 ZINC000952968346 904662391 /nfs/dbraw/zinc/66/23/91/904662391.db2.gz BVQUQXQIVHLTFJ-QGZVFWFLSA-N 1 1 390.534 3.566 50 0 GHAAMO Cc1cccc(CC[N@H+]2CCC[C@@H](CNC(=O)c3sccc3Cl)C2)n1 ZINC000952988218 904674511 /nfs/dbraw/zinc/67/45/11/904674511.db2.gz CDEPYDGPZOGYLM-HNNXBMFYSA-N 1 1 377.941 3.789 50 0 GHAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C[C@H](n1cccn1)C(F)(F)F ZINC000857573506 1014587213 /nfs/dbraw/zinc/58/72/13/1014587213.db2.gz FNYCITXKMBVZCT-JQHSSLGASA-N 1 1 392.425 3.520 50 0 GHAAMO O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000189898173 1020514747 /nfs/dbraw/zinc/51/47/47/1020514747.db2.gz AXBNNNPEZZRQIO-ZDUSSCGKSA-N 1 1 378.929 3.740 50 0 GHAAMO COCC(=O)NC[C@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)CC12CCCCC2 ZINC000409420360 1031401446 /nfs/dbraw/zinc/40/14/46/1031401446.db2.gz HSEYFZAURHIWFO-INIZCTEOSA-N 1 1 382.907 3.624 50 0 GHAAMO O=C(N[C@@H]1CCC[N@H+](C2CCCCC2)C1)c1ccc(-c2cccc(=O)[nH]2)cc1 ZINC000426490775 231228458 /nfs/dbraw/zinc/22/84/58/231228458.db2.gz XGIWVTPZRCAAAG-LJQANCHMSA-N 1 1 379.504 3.981 50 0 GHAAMO C[N@H+](CC(=O)NCCCc1ccccc1)Cc1ccc(Br)cc1 ZINC000003533711 204011064 /nfs/dbraw/zinc/01/10/64/204011064.db2.gz LPCQAMDBUSSJCA-UHFFFAOYSA-N 1 1 375.310 3.630 50 0 GHAAMO C[N@@H+](CC(=O)NCCCc1ccccc1)Cc1ccc(Br)cc1 ZINC000003533711 204011068 /nfs/dbraw/zinc/01/10/68/204011068.db2.gz LPCQAMDBUSSJCA-UHFFFAOYSA-N 1 1 375.310 3.630 50 0 GHAAMO Cc1ccc(SCC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(F)c2)c(C)c1 ZINC000004053828 204024739 /nfs/dbraw/zinc/02/47/39/204024739.db2.gz VGJLNUWAZCMSLC-UHFFFAOYSA-N 1 1 387.524 3.925 50 0 GHAAMO CCOc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)cc1OC ZINC000004556408 204053062 /nfs/dbraw/zinc/05/30/62/204053062.db2.gz KFZIQYRCRZQKGY-SFHVURJKSA-N 1 1 387.505 3.962 50 0 GHAAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)C(Cl)(Cl)Cl)CC1 ZINC000005027969 204104385 /nfs/dbraw/zinc/10/43/85/204104385.db2.gz RFHOVBRNDDLXRB-UHFFFAOYSA-N 1 1 385.122 3.791 50 0 GHAAMO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000007780516 204250406 /nfs/dbraw/zinc/25/04/06/204250406.db2.gz DBTMAMWNRCJJCX-QGZVFWFLSA-N 1 1 398.894 3.994 50 0 GHAAMO Brc1ccc(-c2ccc(C[NH+]3CCN(c4ncccn4)CC3)o2)cc1 ZINC000009049589 204297071 /nfs/dbraw/zinc/29/70/71/204297071.db2.gz SAJJXXOWLRWACN-UHFFFAOYSA-N 1 1 399.292 3.821 50 0 GHAAMO CN1CCN(C(=O)CC[C@H]2CCC[N@@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000011767745 204353226 /nfs/dbraw/zinc/35/32/26/204353226.db2.gz MYXZFMCCSGUWPV-HXUWFJFHSA-N 1 1 379.548 3.606 50 0 GHAAMO Cn1cc(C[N@@H+]2CCC[C@@H]2c2nccs2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000011765998 204353417 /nfs/dbraw/zinc/35/34/17/204353417.db2.gz AALSONQDSBVDSE-MRXNPFEDSA-N 1 1 382.489 3.652 50 0 GHAAMO Cn1cc(C[N@H+]2CCC[C@@H]2c2nccs2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000011765998 204353421 /nfs/dbraw/zinc/35/34/21/204353421.db2.gz AALSONQDSBVDSE-MRXNPFEDSA-N 1 1 382.489 3.652 50 0 GHAAMO COc1ccc(/C=C/C(=O)N[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1OC ZINC000011840253 204354944 /nfs/dbraw/zinc/35/49/44/204354944.db2.gz JMOZDBWKQODXSE-ZOXUKVPXSA-N 1 1 394.515 3.540 50 0 GHAAMO COc1ccc([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCC[N@@H+]24)c(OC)c1C ZINC000011840120 204355340 /nfs/dbraw/zinc/35/53/40/204355340.db2.gz SESPKRBFZGOMRS-NVVBAYIOSA-N 1 1 384.520 3.693 50 0 GHAAMO CN(C(=O)c1cc2sccc2[nH]1)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011844068 204357295 /nfs/dbraw/zinc/35/72/95/204357295.db2.gz IEEIQJQZWRFQEG-KRWDZBQOSA-N 1 1 379.529 3.933 50 0 GHAAMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4ccnn4C)C3)C2)cc1 ZINC000011844268 204357975 /nfs/dbraw/zinc/35/79/75/204357975.db2.gz OFYKPSUEMNTYQV-HSZRJFAPSA-N 1 1 380.536 3.672 50 0 GHAAMO CC(C)c1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)[nH]n1 ZINC000011934728 204362249 /nfs/dbraw/zinc/36/22/49/204362249.db2.gz LKMPTIHTBMZUOB-QFIPXVFZSA-N 1 1 384.499 3.801 50 0 GHAAMO CCOc1ccccc1C[N@H+]1CCC[C@H](CNC(=O)Cc2ccc(OC)cc2)C1 ZINC000011933980 204362659 /nfs/dbraw/zinc/36/26/59/204362659.db2.gz TVLKNHPJRKPFNO-HXUWFJFHSA-N 1 1 396.531 3.665 50 0 GHAAMO C[N@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)c2ccc3[nH]cnc3c2)C1 ZINC000011936699 204364595 /nfs/dbraw/zinc/36/45/95/204364595.db2.gz NYUKDIPCVWALJT-IBGZPJMESA-N 1 1 376.504 3.590 50 0 GHAAMO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4cc[nH]n4)C3)cc2)c1 ZINC000011936197 204365076 /nfs/dbraw/zinc/36/50/76/204365076.db2.gz OQEBDRZVMZLHKG-IBGZPJMESA-N 1 1 390.487 3.936 50 0 GHAAMO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cc[nH]n4)C3)cc2)c1 ZINC000011936197 204365080 /nfs/dbraw/zinc/36/50/80/204365080.db2.gz OQEBDRZVMZLHKG-IBGZPJMESA-N 1 1 390.487 3.936 50 0 GHAAMO COc1ccc(CN2C[C@@H]3C[C@@H](c4cc(F)cc(F)c4)[N@H+]4CCC[C@@]34C2=O)cc1 ZINC000012001108 204366260 /nfs/dbraw/zinc/36/62/60/204366260.db2.gz XMJBEZNCATVLJN-HYVJGQCMSA-N 1 1 398.453 3.911 50 0 GHAAMO CCOc1cc(C[N@H+]2CCC[C@H](CNC(=O)c3cccs3)C2)ccc1OC ZINC000012023173 204367078 /nfs/dbraw/zinc/36/70/78/204367078.db2.gz ACAVHHYUKFDERQ-QGZVFWFLSA-N 1 1 388.533 3.797 50 0 GHAAMO COc1cccc(CN2C[C@@H]3C[C@@H](c4c(F)cccc4F)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000012005497 204367092 /nfs/dbraw/zinc/36/70/92/204367092.db2.gz RHVNBJOKJXNZQK-GRWTVWFQSA-N 1 1 398.453 3.911 50 0 GHAAMO COc1cccc(CN2C[C@@H]3C[C@@H](c4c(F)cccc4F)[N@H+]4CCC[C@@]34C2=O)c1 ZINC000012005497 204367096 /nfs/dbraw/zinc/36/70/96/204367096.db2.gz RHVNBJOKJXNZQK-GRWTVWFQSA-N 1 1 398.453 3.911 50 0 GHAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)NCc2ccccc2)C1 ZINC000012049116 204368876 /nfs/dbraw/zinc/36/88/76/204368876.db2.gz VIKAETQAYAIWGA-OAQYLSRUSA-N 1 1 395.547 3.791 50 0 GHAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3cccc(F)c3)[N@H+]3CCC[C@@]23C1=O ZINC000012197758 204381542 /nfs/dbraw/zinc/38/15/42/204381542.db2.gz FXHNEYCDLJUFSH-LEDOBFOHSA-N 1 1 380.463 3.772 50 0 GHAAMO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CCCN(C(=O)C3=CCCCC3)C1)CC2 ZINC000012207672 204384396 /nfs/dbraw/zinc/38/43/96/204384396.db2.gz XPSBONFQJILRHN-HXUWFJFHSA-N 1 1 384.520 3.553 50 0 GHAAMO O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3c(F)cccc3Cl)[N@H+]3CCC[C@@]123 ZINC000012304427 204392664 /nfs/dbraw/zinc/39/26/64/204392664.db2.gz QWULVHLMKFBIMM-XERREHJYSA-N 1 1 385.870 3.812 50 0 GHAAMO O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3c(F)cccc3Cl)[N@@H+]3CCC[C@@]123 ZINC000012304427 204392669 /nfs/dbraw/zinc/39/26/69/204392669.db2.gz QWULVHLMKFBIMM-XERREHJYSA-N 1 1 385.870 3.812 50 0 GHAAMO CN(Cc1cccc(Cl)c1)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012326038 204397312 /nfs/dbraw/zinc/39/73/12/204397312.db2.gz DOOZXJFWZXQHOU-GOSISDBHSA-N 1 1 399.922 3.649 50 0 GHAAMO C[C@@H](NC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1)c1ccccc1 ZINC000030955089 204901253 /nfs/dbraw/zinc/90/12/53/204901253.db2.gz OCKPLLSDZKHELF-QGZVFWFLSA-N 1 1 390.487 3.826 50 0 GHAAMO COc1ccc(C[N@@H+](CCC(C)C)C[C@@H](O)COCc2ccco2)cc1OC ZINC000036096119 205005889 /nfs/dbraw/zinc/00/58/89/205005889.db2.gz AVZMPSJCJPQFKX-LJQANCHMSA-N 1 1 391.508 3.723 50 0 GHAAMO COc1ccc(C[N@H+](Cc2ccco2)C[C@H](O)COCc2ccccc2)cc1 ZINC000036102101 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3.502 50 0 GHAAMO COc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1OC ZINC000001227081 570259260 /nfs/dbraw/zinc/25/92/60/570259260.db2.gz GXNSKQMZDULTLW-UHFFFAOYSA-N 1 1 376.884 3.688 50 0 GHAAMO CCn1nc(C)c(-c2ccnc(NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2)c1C ZINC000020538397 570266335 /nfs/dbraw/zinc/26/63/35/570266335.db2.gz ZUDYIVMOFGGZCP-HXUWFJFHSA-N 1 1 390.535 3.911 50 0 GHAAMO CSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000012867219 570269514 /nfs/dbraw/zinc/26/95/14/570269514.db2.gz HXQHIVRBKMRUQR-HNNXBMFYSA-N 1 1 381.505 3.621 50 0 GHAAMO CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000012867219 570269515 /nfs/dbraw/zinc/26/95/15/570269515.db2.gz HXQHIVRBKMRUQR-HNNXBMFYSA-N 1 1 381.505 3.621 50 0 GHAAMO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000035268975 570278529 /nfs/dbraw/zinc/27/85/29/570278529.db2.gz TZCRGFPLWDQCHJ-ROUUACIJSA-N 1 1 395.503 3.681 50 0 GHAAMO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000035268975 570278531 /nfs/dbraw/zinc/27/85/31/570278531.db2.gz TZCRGFPLWDQCHJ-ROUUACIJSA-N 1 1 395.503 3.681 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000035268851 570278538 /nfs/dbraw/zinc/27/85/38/570278538.db2.gz UZZLZKQXTIVEFN-GJZGRUSLSA-N 1 1 387.430 3.643 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000035268851 570278539 /nfs/dbraw/zinc/27/85/39/570278539.db2.gz UZZLZKQXTIVEFN-GJZGRUSLSA-N 1 1 387.430 3.643 50 0 GHAAMO C[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1Br ZINC000012927889 570297795 /nfs/dbraw/zinc/29/77/95/570297795.db2.gz YXUZNBMUAFEEOR-LLVKDONJSA-N 1 1 392.684 3.961 50 0 GHAAMO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012327882 570315929 /nfs/dbraw/zinc/31/59/29/570315929.db2.gz ITWQTUAEYNADGC-NRFANRHFSA-N 1 1 393.531 3.774 50 0 GHAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000022462020 570317571 /nfs/dbraw/zinc/31/75/71/570317571.db2.gz WMOIGBYKYGROQS-UHFFFAOYSA-N 1 1 395.547 3.812 50 0 GHAAMO COc1ccc2[nH]c(CN3CC[N@H+](C4CCCCC4)[C@H](CCO)C3)c(C)c2c1 ZINC000022853605 570331512 /nfs/dbraw/zinc/33/15/12/570331512.db2.gz CIMMBEIVEKZECO-LJQANCHMSA-N 1 1 385.552 3.686 50 0 GHAAMO OCC[C@H]1CN(Cc2c[nH]nc2C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000022918561 570335732 /nfs/dbraw/zinc/33/57/32/570335732.db2.gz SNBNNKKZQAAPEE-QFIPXVFZSA-N 1 1 382.552 3.526 50 0 GHAAMO O=C(CCC[N@H+]1CCCn2nc([C@H](O)C3CCC3)cc2C1)c1ccc(F)cc1 ZINC000218943348 570344213 /nfs/dbraw/zinc/34/42/13/570344213.db2.gz WWTNNAGNGKYJNJ-JOCHJYFZSA-N 1 1 385.483 3.725 50 0 GHAAMO O=C(CCC[N@@H+]1CCCn2nc([C@H](O)C3CCC3)cc2C1)c1ccc(F)cc1 ZINC000218943348 570344216 /nfs/dbraw/zinc/34/42/16/570344216.db2.gz WWTNNAGNGKYJNJ-JOCHJYFZSA-N 1 1 385.483 3.725 50 0 GHAAMO O=C(CCC[N@H+]1CCCn2nc([C@@H](O)C3CCC3)cc2C1)c1ccc(F)cc1 ZINC000218943279 570344240 /nfs/dbraw/zinc/34/42/40/570344240.db2.gz WWTNNAGNGKYJNJ-QFIPXVFZSA-N 1 1 385.483 3.725 50 0 GHAAMO O=C(CCC[N@@H+]1CCCn2nc([C@@H](O)C3CCC3)cc2C1)c1ccc(F)cc1 ZINC000218943279 570344245 /nfs/dbraw/zinc/34/42/45/570344245.db2.gz WWTNNAGNGKYJNJ-QFIPXVFZSA-N 1 1 385.483 3.725 50 0 GHAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000023373100 570357579 /nfs/dbraw/zinc/35/75/79/570357579.db2.gz WJSUFDDYUIGIBG-NRFANRHFSA-N 1 1 383.511 3.621 50 0 GHAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000023373100 570357583 /nfs/dbraw/zinc/35/75/83/570357583.db2.gz WJSUFDDYUIGIBG-NRFANRHFSA-N 1 1 383.511 3.621 50 0 GHAAMO CCCn1cc(-c2cc(C(=O)N(C)[C@@H]3CC[N@@H+](C)C3)c3cccc(C)c3n2)cn1 ZINC000023544045 570365118 /nfs/dbraw/zinc/36/51/18/570365118.db2.gz SZRGWIDWMJHSPK-GOSISDBHSA-N 1 1 391.519 3.593 50 0 GHAAMO O=C(c1cn2ccccc2n1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000024257766 570381598 /nfs/dbraw/zinc/38/15/98/570381598.db2.gz JXNKPCNLQVNSAX-UHFFFAOYSA-N 1 1 396.494 3.882 50 0 GHAAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)C[C@@H](C)O1 ZINC000024965405 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1 388.515 3.828 50 0 GHAAMO O=C(NC[C@H](c1cccs1)[NH+]1CCCCC1)c1cc(=O)c2ccccc2o1 ZINC000028288886 570455150 /nfs/dbraw/zinc/45/51/50/570455150.db2.gz MZKQOXJWGUWGFC-MRXNPFEDSA-N 1 1 382.485 3.812 50 0 GHAAMO CC(C)CNC(=O)c1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000029489538 570475268 /nfs/dbraw/zinc/47/52/68/570475268.db2.gz LMQSJFZSTHESDZ-NRFANRHFSA-N 1 1 379.504 3.630 50 0 GHAAMO Cc1cccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)c1 ZINC000030955105 570502230 /nfs/dbraw/zinc/50/22/30/570502230.db2.gz NNNKWHCZPWMJBB-UHFFFAOYSA-N 1 1 376.460 3.896 50 0 GHAAMO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955269 570502391 /nfs/dbraw/zinc/50/23/91/570502391.db2.gz XRQLEFVGSMWDPE-UHFFFAOYSA-N 1 1 380.423 3.726 50 0 GHAAMO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000035088676 570549624 /nfs/dbraw/zinc/54/96/24/570549624.db2.gz PHJKWLGEYWBQCC-ISHFTEKXSA-N 1 1 392.559 3.786 50 0 GHAAMO CC[NH+]1CCC(N2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)CC1 ZINC000012056541 570602659 /nfs/dbraw/zinc/60/26/59/570602659.db2.gz WJULEOKSCJFNEK-UHFFFAOYSA-N 1 1 399.579 3.640 50 0 GHAAMO Cc1[nH+]ccn1CCNC(=O)c1ccc2oc(CCCc3ccccc3)nc2c1 ZINC000012447089 570666524 /nfs/dbraw/zinc/66/65/24/570666524.db2.gz ULRHXFCBBGNVDK-UHFFFAOYSA-N 1 1 388.471 3.938 50 0 GHAAMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000036389979 570671556 /nfs/dbraw/zinc/67/15/56/570671556.db2.gz IOJAONLESJWQFQ-ROUUACIJSA-N 1 1 383.536 3.810 50 0 GHAAMO CN(C(=O)CCc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012465182 570671650 /nfs/dbraw/zinc/67/16/50/570671650.db2.gz FCPDNJXZCOATLV-JOCHJYFZSA-N 1 1 380.507 3.849 50 0 GHAAMO Cc1nc(-c2ccc(N3CCC([N@H+](C)Cc4cnn(C)c4)CC3)cc2)cs1 ZINC000055053415 570680562 /nfs/dbraw/zinc/68/05/62/570680562.db2.gz TZAXPKFOVJUFDY-UHFFFAOYSA-N 1 1 381.549 3.953 50 0 GHAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)C(=O)c3cc(C)oc3C)C2)cc1 ZINC000012580498 570684011 /nfs/dbraw/zinc/68/40/11/570684011.db2.gz WJSPKSFNNSBOLW-HXUWFJFHSA-N 1 1 384.520 3.932 50 0 GHAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4cccc(C)n4)C3)C2)c1 ZINC000012761920 570711138 /nfs/dbraw/zinc/71/11/38/570711138.db2.gz RWDGMXFBKLPCMQ-HSZRJFAPSA-N 1 1 397.494 3.666 50 0 GHAAMO CCCOc1ccc(N2C(=O)C[C@H]([N@H+](Cc3ccc(F)cc3)C3CC3)C2=O)cc1 ZINC000025059195 570711756 /nfs/dbraw/zinc/71/17/56/570711756.db2.gz YVAHNBJDCHFUQC-NRFANRHFSA-N 1 1 396.462 3.911 50 0 GHAAMO CCCOc1ccc(N2C(=O)C[C@H]([N@@H+](Cc3ccc(F)cc3)C3CC3)C2=O)cc1 ZINC000025059195 570711760 /nfs/dbraw/zinc/71/17/60/570711760.db2.gz YVAHNBJDCHFUQC-NRFANRHFSA-N 1 1 396.462 3.911 50 0 GHAAMO CCc1ccc([C@@H](CNS(=O)(=O)C2=Cc3ccccc3CC2)[NH+](C)C)cc1 ZINC000032679688 570736400 /nfs/dbraw/zinc/73/64/00/570736400.db2.gz NOPWNIDFNFBRMX-JOCHJYFZSA-N 1 1 384.545 3.758 50 0 GHAAMO COc1cccc(C(=O)NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)c1OC ZINC000025536239 570757586 /nfs/dbraw/zinc/75/75/86/570757586.db2.gz HCRDISAWKCVVPT-FQEVSTJZSA-N 1 1 382.504 3.517 50 0 GHAAMO Cc1ccc(CN(C)Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)o1 ZINC000012473726 570821039 /nfs/dbraw/zinc/82/10/39/570821039.db2.gz JCQHFZGCDHGLEC-OAQYLSRUSA-N 1 1 386.536 3.836 50 0 GHAAMO O=C(CCc1c[nH]c2ccccc12)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000014814996 570861178 /nfs/dbraw/zinc/86/11/78/570861178.db2.gz HGMNPEKIHWUQBH-UHFFFAOYSA-N 1 1 398.510 3.993 50 0 GHAAMO Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)no1 ZINC000170607247 570864420 /nfs/dbraw/zinc/86/44/20/570864420.db2.gz HLWHDRWRTLQJJW-SFHVURJKSA-N 1 1 379.464 3.929 50 0 GHAAMO Cc1cc(NC(=O)CC[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)no1 ZINC000170607247 570864422 /nfs/dbraw/zinc/86/44/22/570864422.db2.gz HLWHDRWRTLQJJW-SFHVURJKSA-N 1 1 379.464 3.929 50 0 GHAAMO COc1ccc(CC(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccccc3F)C2)cc1 ZINC000014968455 570867534 /nfs/dbraw/zinc/86/75/34/570867534.db2.gz WGJKPGKNMAFCMX-HXUWFJFHSA-N 1 1 398.522 3.790 50 0 GHAAMO COc1ccccc1C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc(F)c3)CC[C@@H]21 ZINC000014976735 570868477 /nfs/dbraw/zinc/86/84/77/570868477.db2.gz PGEDYELRNRETLL-NQIIRXRSSA-N 1 1 382.479 3.961 50 0 GHAAMO O=C([C@@H]1CCOC1)N1CCC[C@@H]2C[N@@H+](Cc3cc4ccccc4s3)CC[C@@H]21 ZINC000014985632 570869913 /nfs/dbraw/zinc/86/99/13/570869913.db2.gz GVNFVMZNMBHVOP-GGPKGHCWSA-N 1 1 384.545 3.751 50 0 GHAAMO CCc1[nH]nc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)c1C ZINC000015076367 570878901 /nfs/dbraw/zinc/87/89/01/570878901.db2.gz SKMUERCKPCSCEM-QFIPXVFZSA-N 1 1 384.499 3.548 50 0 GHAAMO C[C@H](C(=O)NCc1ccc2c(c1)OCO2)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000015449610 570893978 /nfs/dbraw/zinc/89/39/78/570893978.db2.gz VZZXYAVYWDDRNK-GFCCVEGCSA-N 1 1 395.286 3.859 50 0 GHAAMO C[C@H](C(=O)NCc1ccc2c(c1)OCO2)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000015449610 570893981 /nfs/dbraw/zinc/89/39/81/570893981.db2.gz VZZXYAVYWDDRNK-GFCCVEGCSA-N 1 1 395.286 3.859 50 0 GHAAMO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)o1 ZINC000108158632 570902677 /nfs/dbraw/zinc/90/26/77/570902677.db2.gz JTYLGRGAFTWYAT-CHWSQXEVSA-N 1 1 393.285 3.552 50 0 GHAAMO Cc1cnc([C@@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)o1 ZINC000108158632 570902680 /nfs/dbraw/zinc/90/26/80/570902680.db2.gz JTYLGRGAFTWYAT-CHWSQXEVSA-N 1 1 393.285 3.552 50 0 GHAAMO C[N@@H+](CCc1ccccn1)[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)no2)C1 ZINC000019111587 570956576 /nfs/dbraw/zinc/95/65/76/570956576.db2.gz MHXFKENELHCHME-FQEVSTJZSA-N 1 1 390.487 3.516 50 0 GHAAMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CCCOc3ccc(F)cc32)C1 ZINC000252467373 570961595 /nfs/dbraw/zinc/96/15/95/570961595.db2.gz HDUBSNXFZKMAIL-APWZRJJASA-N 1 1 377.504 3.851 50 0 GHAAMO C[C@@H]1CCC[N@@H+](CC2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)C1 ZINC000033312340 570971777 /nfs/dbraw/zinc/97/17/77/570971777.db2.gz AFUWFGXHMDILHO-MRXNPFEDSA-N 1 1 384.973 3.614 50 0 GHAAMO CCn1ccc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](CC)C3)n1 ZINC000091468674 571009916 /nfs/dbraw/zinc/00/99/16/571009916.db2.gz IBVQDFKQSKTJPF-HXUWFJFHSA-N 1 1 380.536 3.635 50 0 GHAAMO O=C(CCCc1cccs1)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2 ZINC000091505878 571011927 /nfs/dbraw/zinc/01/19/27/571011927.db2.gz HNZOWFWNSAMTGP-UHFFFAOYSA-N 1 1 386.565 3.732 50 0 GHAAMO C[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)Cc3cccc(O)c3)CC2)C1 ZINC000091575458 571015505 /nfs/dbraw/zinc/01/55/05/571015505.db2.gz DXVYWMNVCMFQGO-NRFANRHFSA-N 1 1 378.516 3.663 50 0 GHAAMO Cc1ccc([C@@H](C)CC[N@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)o1 ZINC000091650503 571022663 /nfs/dbraw/zinc/02/26/63/571022663.db2.gz XKVULGNIQGVDHM-INIZCTEOSA-N 1 1 384.524 3.600 50 0 GHAAMO CSc1ncc(CN2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C)C3)cn1 ZINC000091745451 571028313 /nfs/dbraw/zinc/02/83/13/571028313.db2.gz BVUDPCWLGOBYSY-FQEVSTJZSA-N 1 1 382.577 3.900 50 0 GHAAMO CSc1ncc(CN2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C)C3)cn1 ZINC000091745451 571028317 /nfs/dbraw/zinc/02/83/17/571028317.db2.gz BVUDPCWLGOBYSY-FQEVSTJZSA-N 1 1 382.577 3.900 50 0 GHAAMO Cc1cc2cc(C(=O)N3C[C@H]4CC[C@@H]3C[N@H+](Cc3[nH]cnc3C)C4)ccc2o1 ZINC000091964795 571038027 /nfs/dbraw/zinc/03/80/27/571038027.db2.gz OGGMYXKERWBUQA-QFBILLFUSA-N 1 1 378.476 3.509 50 0 GHAAMO Cc1cc2cc(C(=O)N3C[C@H]4CC[C@@H]3C[N@@H+](Cc3[nH]cnc3C)C4)ccc2o1 ZINC000091964795 571038032 /nfs/dbraw/zinc/03/80/32/571038032.db2.gz OGGMYXKERWBUQA-QFBILLFUSA-N 1 1 378.476 3.509 50 0 GHAAMO O=C1CC[C@]2(CCC[N@H+](Cc3ccccc3Cl)C2)CN1CCc1c[nH]cn1 ZINC000092066099 571043205 /nfs/dbraw/zinc/04/32/05/571043205.db2.gz AWRBRRDISPQQEE-NRFANRHFSA-N 1 1 386.927 3.510 50 0 GHAAMO O=C1CC[C@]2(CCC[N@@H+](Cc3ccccc3Cl)C2)CN1CCc1cnc[nH]1 ZINC000092066099 571043207 /nfs/dbraw/zinc/04/32/07/571043207.db2.gz AWRBRRDISPQQEE-NRFANRHFSA-N 1 1 386.927 3.510 50 0 GHAAMO O=C1CC[C@]2(CCC[N@H+](Cc3ccccc3Cl)C2)CN1CCc1cnc[nH]1 ZINC000092066099 571043212 /nfs/dbraw/zinc/04/32/12/571043212.db2.gz AWRBRRDISPQQEE-NRFANRHFSA-N 1 1 386.927 3.510 50 0 GHAAMO O=C(Cc1ccc(F)cc1Cl)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000095352309 571050248 /nfs/dbraw/zinc/05/02/48/571050248.db2.gz DVKSHALOGHUOOE-QFBILLFUSA-N 1 1 387.886 3.540 50 0 GHAAMO COc1ccc2c(c1)CC[N@H+](Cc1c(Cl)n(C)nc1-c1cc(C)on1)CC2 ZINC000095378561 571065582 /nfs/dbraw/zinc/06/55/82/571065582.db2.gz BMZDPFVTZSEXCX-UHFFFAOYSA-N 1 1 386.883 3.646 50 0 GHAAMO Fc1ccc(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccc(-c4cc[nH]n4)o3)C2)cc1 ZINC000095381289 571067783 /nfs/dbraw/zinc/06/77/83/571067783.db2.gz BTODPKLNVWCMEX-PKOBYXMFSA-N 1 1 380.467 3.905 50 0 GHAAMO Fc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2ccc(-c4cc[nH]n4)o2)C3)cc1 ZINC000095381289 571067787 /nfs/dbraw/zinc/06/77/87/571067787.db2.gz BTODPKLNVWCMEX-PKOBYXMFSA-N 1 1 380.467 3.905 50 0 GHAAMO Fc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(Cc2ccc(-c4cc[nH]n4)o2)C3)cc1 ZINC000095381289 571067790 /nfs/dbraw/zinc/06/77/90/571067790.db2.gz BTODPKLNVWCMEX-PKOBYXMFSA-N 1 1 380.467 3.905 50 0 GHAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)c1cc(Cl)cn1C ZINC000095500225 571075786 /nfs/dbraw/zinc/07/57/86/571075786.db2.gz HDLAAKCNUNCZGW-QGZVFWFLSA-N 1 1 391.918 3.844 50 0 GHAAMO c1c[nH+]c([C@@H]2CCCN(c3nnnn3-c3ccc(Oc4ccccc4)cc3)C2)[nH]1 ZINC000095508168 571079720 /nfs/dbraw/zinc/07/97/20/571079720.db2.gz CNPMDJUQMYOZRW-MRXNPFEDSA-N 1 1 387.447 3.562 50 0 GHAAMO Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c(C)n1C ZINC000095509802 571081089 /nfs/dbraw/zinc/08/10/89/571081089.db2.gz CWEJQYHGJVMDQA-FQEVSTJZSA-N 1 1 385.527 3.808 50 0 GHAAMO COc1ccc(OC[C@@H]2CC3(CN2C(=O)Cn2cc[nH+]c2C)CCCCC3)cc1 ZINC000257191222 838953364 /nfs/dbraw/zinc/95/33/64/838953364.db2.gz PKSLKYSSJMHZAS-IBGZPJMESA-N 1 1 397.519 3.831 50 0 GHAAMO COc1cccc2ccn(CCC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@@H]34)c21 ZINC000299754453 861291651 /nfs/dbraw/zinc/29/16/51/861291651.db2.gz QCAFGKYIBBPHLM-PMACEKPBSA-N 1 1 383.536 3.763 50 0 biogenic GHAAMO CCc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1-c1ccc(F)cc1 ZINC000058155740 862378247 /nfs/dbraw/zinc/37/82/47/862378247.db2.gz HNVUSAWLKUSHHK-LJQANCHMSA-N 1 1 392.478 3.578 50 0 GHAAMO Cn1cnnc1Sc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)o1 ZINC000670450256 862573676 /nfs/dbraw/zinc/57/36/76/862573676.db2.gz WERLZPKFRBYBIB-UHFFFAOYSA-N 1 1 388.468 3.742 50 0 GHAAMO COc1cc2c(cc(C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)n2C)c(OC)c1 ZINC000253407775 855065689 /nfs/dbraw/zinc/06/56/89/855065689.db2.gz KEBZZMQUFAJGPU-QFBILLFUSA-N 1 1 399.535 3.532 50 0 biogenic GHAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@@H](Cc1ccccc1)n1cccc1 ZINC000253412541 855084183 /nfs/dbraw/zinc/08/41/83/855084183.db2.gz RHQOGMSWWOXLOO-YTFSRNRJSA-N 1 1 379.548 3.995 50 0 biogenic GHAAMO CCC[C@@H](NC(=O)C[NH+]1CCC(c2nnc3ccccn32)CC1)c1ccccc1 ZINC000067443558 855994464 /nfs/dbraw/zinc/99/44/64/855994464.db2.gz DZBHTVLFPKVAAJ-HXUWFJFHSA-N 1 1 391.519 3.566 50 0 GHAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc4ccccc4c3)c2C(N)=O)C1 ZINC000004087103 862770620 /nfs/dbraw/zinc/77/06/20/862770620.db2.gz IAFDJEMINVHYRT-UHFFFAOYSA-N 1 1 379.485 3.631 50 0 GHAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc4ccccc4c3)c2C(N)=O)C1 ZINC000004087103 862770630 /nfs/dbraw/zinc/77/06/30/862770630.db2.gz IAFDJEMINVHYRT-UHFFFAOYSA-N 1 1 379.485 3.631 50 0 GHAAMO CC(C)c1ccc(CCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000040141466 856679097 /nfs/dbraw/zinc/67/90/97/856679097.db2.gz YDYHWKWLKGMPCF-UHFFFAOYSA-N 1 1 380.532 3.891 50 0 GHAAMO COCCO[C@@H]1C[N@@H+](C2CCN(Cc3ccc(C)o3)CC2)C12CCCCC2 ZINC000257183025 859696170 /nfs/dbraw/zinc/69/61/70/859696170.db2.gz QPKXDKCIBQKYHF-OAQYLSRUSA-N 1 1 376.541 3.603 50 0 GHAAMO COCCO[C@@H]1CN(C2CC[NH+](Cc3ccc(C)o3)CC2)C12CCCCC2 ZINC000257183025 859696177 /nfs/dbraw/zinc/69/61/77/859696177.db2.gz QPKXDKCIBQKYHF-OAQYLSRUSA-N 1 1 376.541 3.603 50 0 GHAAMO C[NH+]1CCC2(C[N@@H+](CC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2)CC1 ZINC000257186706 859820116 /nfs/dbraw/zinc/82/01/16/859820116.db2.gz KRSRBSCXZVDOBX-QFIPXVFZSA-N 1 1 383.580 3.527 50 0 GHAAMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(CCNC(=O)/C=C/c2ccccc2)CC1 ZINC000020241346 860525506 /nfs/dbraw/zinc/52/55/06/860525506.db2.gz LWKXJUIYMMWRPW-GPZLUXPBSA-N 1 1 383.580 3.791 50 0 GHAAMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cc3ccccc3nc2Cl)c1 ZINC000095450153 860586652 /nfs/dbraw/zinc/58/66/52/860586652.db2.gz QNNRUORHBYEKNN-ZDUSSCGKSA-N 1 1 389.908 3.647 50 0 GHAAMO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2nc(-c3cccnc3)cs2)cc1OC ZINC000095941310 860709687 /nfs/dbraw/zinc/70/96/87/860709687.db2.gz VXXLDCCDYJLBQL-ZDUSSCGKSA-N 1 1 398.488 3.512 50 0 GHAAMO Cn1ccnc1COc1ccc(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)cc1 ZINC000095959698 860721184 /nfs/dbraw/zinc/72/11/84/860721184.db2.gz OYBWUJJNGLAJEU-QHCPKHFHSA-N 1 1 391.515 3.871 50 0 GHAAMO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000095964368 860722761 /nfs/dbraw/zinc/72/27/61/860722761.db2.gz GADUYZMUQCSPRX-NSHDSACASA-N 1 1 392.385 3.814 50 0 GHAAMO CCOc1ccc(C(=O)c2c[nH+]c3ccc(C)cc3c2N2CCN(C)CC2)cc1 ZINC000021158477 860730384 /nfs/dbraw/zinc/73/03/84/860730384.db2.gz FFQLWQBZWNBCDB-UHFFFAOYSA-N 1 1 389.499 3.925 50 0 GHAAMO CCOc1ccc(C(=O)c2cnc3ccc(C)cc3c2N2CC[NH+](C)CC2)cc1 ZINC000021158477 860730388 /nfs/dbraw/zinc/73/03/88/860730388.db2.gz FFQLWQBZWNBCDB-UHFFFAOYSA-N 1 1 389.499 3.925 50 0 GHAAMO c1ccc(-n2nc(C[N@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)c3c2CCC3)cc1 ZINC000095980435 860731922 /nfs/dbraw/zinc/73/19/22/860731922.db2.gz PDUFJJCYCHKFHW-KRWDZBQOSA-N 1 1 388.519 3.736 50 0 GHAAMO CCn1nc(C)c(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c1C ZINC000095993183 860736856 /nfs/dbraw/zinc/73/68/56/860736856.db2.gz NMVCQTROODAAMJ-GOSISDBHSA-N 1 1 383.540 3.643 50 0 GHAAMO Cc1[nH]c2ccc(C(=O)Nc3cc(NC(=O)C[NH+](C)C)ccc3C)cc2c1C ZINC000823676126 863156271 /nfs/dbraw/zinc/15/62/71/863156271.db2.gz GSOGXPJSRDEONS-UHFFFAOYSA-N 1 1 378.476 3.846 50 0 GHAAMO Cc1nc(C)c(C(=O)NC[C@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)no3)C2)o1 ZINC000825268565 864362173 /nfs/dbraw/zinc/36/21/73/864362173.db2.gz XMYVKGUUKQXKMA-QGZVFWFLSA-N 1 1 394.475 3.588 50 0 GHAAMO CO[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)Nc2cc(-c3cccnc3)ccc2C)C1 ZINC000626547470 864375069 /nfs/dbraw/zinc/37/50/69/864375069.db2.gz HNRHSMWXQDEHNK-JAXLGGSGSA-N 1 1 394.519 3.820 50 0 GHAAMO Cc1ccc(N2CCC(NC(=O)Nc3ccc(-c4cc[nH]n4)cc3)CC2)[nH+]c1 ZINC000173144794 864436842 /nfs/dbraw/zinc/43/68/42/864436842.db2.gz WMPLWOCQPVAYNQ-UHFFFAOYSA-N 1 1 376.464 3.571 50 0 GHAAMO CC(C)c1nccn1[C@@H](C)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCC2)cc1 ZINC000828052276 865174899 /nfs/dbraw/zinc/17/48/99/865174899.db2.gz PZSFUDMGDZPVMC-KRWDZBQOSA-N 1 1 397.523 3.631 50 0 GHAAMO C[N@H+]1CCC[C@@H]1[C@@](C)(O)c1ccc(OCc2cccnc2C(F)(F)F)cc1 ZINC000530173474 868027975 /nfs/dbraw/zinc/02/79/75/868027975.db2.gz PHJDRUGZBQIKPO-MJGOQNOKSA-N 1 1 380.410 3.981 50 0 GHAAMO Fc1cnccc1CN1CCC([N@H+]2C[C@H](OCC3CC3)C23CCCCC3)CC1 ZINC000581802210 870001523 /nfs/dbraw/zinc/00/15/23/870001523.db2.gz HIOUAMHMNKBMRH-QFIPXVFZSA-N 1 1 387.543 3.999 50 0 GHAAMO CC(C)CNC(=O)N1CCC([N@H+]2C[C@@H](OCC3CC3)C23CCCCC3)CC1 ZINC000581802569 870002084 /nfs/dbraw/zinc/00/20/84/870002084.db2.gz MVSUGCGQRMNKNI-HXUWFJFHSA-N 1 1 377.573 3.630 50 0 GHAAMO COCCCNC(=O)N1CCC([N@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)CC1 ZINC000581802934 870003097 /nfs/dbraw/zinc/00/30/97/870003097.db2.gz PGKAGDJFJDDDLV-NRFANRHFSA-N 1 1 385.552 3.814 50 0 GHAAMO Cc1c[nH+]c(C[C@H]2CCN(C(=O)COc3ccccc3)C2)n1Cc1ccccc1 ZINC000581806552 870029074 /nfs/dbraw/zinc/02/90/74/870029074.db2.gz SOHCEKSXEROSMI-OAQYLSRUSA-N 1 1 389.499 3.710 50 0 GHAAMO O=C(c1cc(C2CC2)[nH]n1)N1CCC(Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000581810087 870041676 /nfs/dbraw/zinc/04/16/76/870041676.db2.gz QRFLVMNHHRZUBD-UHFFFAOYSA-N 1 1 392.547 3.978 50 0 GHAAMO COCC[N@@H+](C)Cc1ccc(CC2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000581810400 870043516 /nfs/dbraw/zinc/04/35/16/870043516.db2.gz QTXQVOWTWMLKCY-UHFFFAOYSA-N 1 1 386.561 3.921 50 0 GHAAMO Cc1ccnn1-c1ccccc1NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000182205059 872030478 /nfs/dbraw/zinc/03/04/78/872030478.db2.gz NFCMCXRCCMATBB-UHFFFAOYSA-N 1 1 395.532 3.796 50 0 GHAAMO Cc1oc2nc(C[N@@H+](CC(C)C)C[C@@H](O)c3ccc(F)cc3)nc(N)c2c1C ZINC000153960752 888962063 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3.982 50 0 GHAAMO c1cc(-c2ccc(C[N@H+]3CCCC34CCN(c3ncccn3)CC4)s2)n[nH]1 ZINC000072426493 136170011 /nfs/dbraw/zinc/17/00/11/136170011.db2.gz DXQLFQDYNYWCLA-UHFFFAOYSA-N 1 1 380.521 3.563 50 0 GHAAMO c1cn(Cc2ccccn2)c([C@H]2CCCN(c3ncnc4ccsc43)C2)[nH+]1 ZINC000095531635 136181784 /nfs/dbraw/zinc/18/17/84/136181784.db2.gz AKZQTIPXINGRNT-HNNXBMFYSA-N 1 1 376.489 3.715 50 0 GHAAMO OCC[C@@H]1CN(c2ccc3ccccc3n2)CC[N@H+]1CCCc1ccccc1 ZINC000106996360 136191563 /nfs/dbraw/zinc/19/15/63/136191563.db2.gz BDTCXGPNIZOWBZ-JOCHJYFZSA-N 1 1 375.516 3.741 50 0 GHAAMO Cc1sc2nc(C)nc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2c1C ZINC000000753862 526888380 /nfs/dbraw/zinc/88/83/80/526888380.db2.gz UZDVHDLAUSWQNS-UHFFFAOYSA-N 1 1 396.516 3.667 50 0 GHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2ccc3cc[nH]c(=O)c3c2)cc1 ZINC000426615352 529081154 /nfs/dbraw/zinc/08/11/54/529081154.db2.gz BUTXFZAKVUXALF-HXUWFJFHSA-N 1 1 375.472 3.822 50 0 GHAAMO CC[N@H+]1CCC[C@H](CNC(=O)N(CCc2ccccc2)Cc2cccnc2)C1 ZINC000426441919 529084426 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CN(C)c1nc(Cl)c(CN2CCC[C@@H]([N@@H+](C)Cc3ccccc3)C2)s1 ZINC000019790160 570219083 /nfs/dbraw/zinc/21/90/83/570219083.db2.gz ACKUXXNTDXKBJI-MRXNPFEDSA-N 1 1 378.973 3.959 50 0 GHAAMO CCn1c(=O)c2c3c(sc2nc1SCc1ccc(F)cc1)C[N@@H+](C)CC3 ZINC000020357417 570253123 /nfs/dbraw/zinc/25/31/23/570253123.db2.gz LVHXFMFSIIZCCE-UHFFFAOYSA-N 1 1 389.521 3.897 50 0 GHAAMO CCn1c(=O)c2c3c(sc2nc1SCc1ccc(F)cc1)C[N@H+](C)CC3 ZINC000020357417 570253125 /nfs/dbraw/zinc/25/31/25/570253125.db2.gz LVHXFMFSIIZCCE-UHFFFAOYSA-N 1 1 389.521 3.897 50 0 GHAAMO COc1ccc(C[N@H+]2CCN(Cc3cc4ccccc4[nH]3)C[C@H]2CCO)cc1C ZINC000104531073 570260139 /nfs/dbraw/zinc/26/01/39/570260139.db2.gz MYXCUYMCVKJICQ-JOCHJYFZSA-N 1 1 393.531 3.554 50 0 GHAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(C)cc2)c(OC)c1 ZINC000012860531 570267930 /nfs/dbraw/zinc/26/79/30/570267930.db2.gz UQRJPJSSVSPWHP-OAQYLSRUSA-N 1 1 382.504 3.808 50 0 GHAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(C)cc2)c(OC)c1 ZINC000012860531 570267931 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GHAAMO COCCNC(=O)[C@@H]1C[C@H](c2cccc(C)c2)C[N@@H+](Cc2ccccc2F)C1 ZINC000034711173 570303141 /nfs/dbraw/zinc/30/31/41/570303141.db2.gz HTHPLZMOORGFHR-LEWJYISDSA-N 1 1 384.495 3.502 50 0 GHAAMO OCC[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000002828439 570305340 /nfs/dbraw/zinc/30/53/40/570305340.db2.gz GKQJBAPRLPTZMV-HSZRJFAPSA-N 1 1 377.484 3.588 50 0 GHAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1OC[C@H]1CCCO1 ZINC000022692627 570324865 /nfs/dbraw/zinc/32/48/65/570324865.db2.gz HMEFYLYEBVQDRN-UYAOXDASSA-N 1 1 398.503 3.794 50 0 GHAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(CCc3ccccc3)C2)cc1OC ZINC000022919947 570335628 /nfs/dbraw/zinc/33/56/28/570335628.db2.gz QCFLFSFXOOEWED-QFIPXVFZSA-N 1 1 382.548 3.885 50 0 GHAAMO COc1ccc(CCN(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1OC ZINC000022919947 570335632 /nfs/dbraw/zinc/33/56/32/570335632.db2.gz QCFLFSFXOOEWED-QFIPXVFZSA-N 1 1 382.548 3.885 50 0 GHAAMO COc1ccc(CCN(C)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1OC ZINC000022919947 570335635 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Cc1cc(=O)n2nc(C[NH2+][C@H](Cc3ccccc3)c3ccccc3)sc2n1 ZINC000024734516 570390514 /nfs/dbraw/zinc/39/05/14/570390514.db2.gz ZXMJTCXFOPLBID-GOSISDBHSA-N 1 1 376.485 3.533 50 0 GHAAMO COCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(C)csc2n1 ZINC000033069038 570401176 /nfs/dbraw/zinc/40/11/76/570401176.db2.gz NBSFNTQQEYSFJB-UHFFFAOYSA-N 1 1 385.533 3.836 50 0 GHAAMO COCC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(C)csc2n1 ZINC000033069038 570401177 /nfs/dbraw/zinc/40/11/77/570401177.db2.gz NBSFNTQQEYSFJB-UHFFFAOYSA-N 1 1 385.533 3.836 50 0 GHAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000240333259 570430630 /nfs/dbraw/zinc/43/06/30/570430630.db2.gz FCMQHASXPSSXFU-JEBQAFNWSA-N 1 1 388.899 3.926 50 0 GHAAMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000241160595 570431524 /nfs/dbraw/zinc/43/15/24/570431524.db2.gz JYLOSAYDLFTCDR-SFTDATJTSA-N 1 1 398.551 3.793 50 0 GHAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000245327244 570435635 /nfs/dbraw/zinc/43/56/35/570435635.db2.gz NSBQCKQJQJLXKJ-KGLIPLIRSA-N 1 1 387.480 3.555 50 0 GHAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000028973535 570467215 /nfs/dbraw/zinc/46/72/15/570467215.db2.gz VBNZZMWZKNSOFY-INIZCTEOSA-N 1 1 390.281 3.628 50 0 GHAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000028973535 570467216 /nfs/dbraw/zinc/46/72/16/570467216.db2.gz VBNZZMWZKNSOFY-INIZCTEOSA-N 1 1 390.281 3.628 50 0 GHAAMO Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)o1 ZINC000089526068 570469194 /nfs/dbraw/zinc/46/91/94/570469194.db2.gz YESZTMWXXSWVNE-ZWKOTPCHSA-N 1 1 393.491 3.759 50 0 GHAAMO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2nc3ccsc3c(=O)[nH]2)CC1 ZINC000029686037 570478165 /nfs/dbraw/zinc/47/81/65/570478165.db2.gz XOZAHUQQYVJIHG-CYBMUJFWSA-N 1 1 388.924 3.929 50 0 GHAAMO CCO[C@H]1CCCN(C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000072289633 570481416 /nfs/dbraw/zinc/48/14/16/570481416.db2.gz OZRFGNWKWBOUPL-LEWJYISDSA-N 1 1 387.568 3.670 50 0 GHAAMO COc1ccccc1NC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000029905581 570482470 /nfs/dbraw/zinc/48/24/70/570482470.db2.gz BELGTFUSYJFBTQ-UHFFFAOYSA-N 1 1 392.459 3.596 50 0 GHAAMO C[C@H](NC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1)c1ccccc1 ZINC000030955091 570501736 /nfs/dbraw/zinc/50/17/36/570501736.db2.gz OCKPLLSDZKHELF-KRWDZBQOSA-N 1 1 390.487 3.826 50 0 GHAAMO Cc1ccccc1NC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955103 570501873 /nfs/dbraw/zinc/50/18/73/570501873.db2.gz PKGRORQCFPYMJQ-UHFFFAOYSA-N 1 1 376.460 3.896 50 0 GHAAMO Cc1ccc(S(=O)(=O)NCC[N@H+](C)[C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000072305242 570518418 /nfs/dbraw/zinc/51/84/18/570518418.db2.gz NJTKGNGCBLJNOR-HNNXBMFYSA-N 1 1 398.475 3.568 50 0 GHAAMO COc1ccc(CC[N@@H+](C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1OC ZINC000033014937 570630100 /nfs/dbraw/zinc/63/01/00/570630100.db2.gz UTXJDGSIRZYDJO-RBBKRZOGSA-N 1 1 399.531 3.633 50 0 GHAAMO Cc1nc(C)c(CC(=O)N(C)[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)s1 ZINC000012432469 570660273 /nfs/dbraw/zinc/66/02/73/570660273.db2.gz YGGSGNMPVNJCCC-HXUWFJFHSA-N 1 1 385.577 3.858 50 0 GHAAMO CC[C@@H](C)[N@@H+](CCNC(=O)c1noc2c1COc1ccccc1-2)Cc1ccco1 ZINC000033028851 570666677 /nfs/dbraw/zinc/66/66/77/570666677.db2.gz VJGYGPXKZDOKJO-OAHLLOKOSA-N 1 1 395.459 3.858 50 0 GHAAMO C[C@H](COc1ccccc1)[N@H+]1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 ZINC000012579063 570683281 /nfs/dbraw/zinc/68/32/81/570683281.db2.gz PJCZZVUCYVRFCC-OAHLLOKOSA-N 1 1 378.428 3.896 50 0 GHAAMO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c(Cl)c1 ZINC000017305739 570703469 /nfs/dbraw/zinc/70/34/69/570703469.db2.gz IMQYRJMZVCSEJC-HNNXBMFYSA-N 1 1 383.883 3.861 50 0 GHAAMO Cc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c(Cl)c1 ZINC000017305739 570703471 /nfs/dbraw/zinc/70/34/71/570703471.db2.gz IMQYRJMZVCSEJC-HNNXBMFYSA-N 1 1 383.883 3.861 50 0 GHAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(OC)c(OC)c3)C2)cc(OC)c1 ZINC000012716350 570704269 /nfs/dbraw/zinc/70/42/69/570704269.db2.gz KDBNLRTYARXGHV-GOSISDBHSA-N 1 1 399.487 3.816 50 0 GHAAMO Cc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000012989952 570738007 /nfs/dbraw/zinc/73/80/07/570738007.db2.gz UPNYCAKOCGNAKE-NRFANRHFSA-N 1 1 394.515 3.952 50 0 GHAAMO Cc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000012989952 570738009 /nfs/dbraw/zinc/73/80/09/570738009.db2.gz UPNYCAKOCGNAKE-NRFANRHFSA-N 1 1 394.515 3.952 50 0 GHAAMO Cc1noc(C)c1CCC(=O)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000032757207 570798139 /nfs/dbraw/zinc/79/81/39/570798139.db2.gz GZICDMMMKXLICC-UHFFFAOYSA-N 1 1 383.517 3.783 50 0 GHAAMO C[N@@H+](CCCNC(=O)[C@H]1CCCN(c2nc3ccccc3[nH]2)C1)C1CCCCC1 ZINC000033071856 570802841 /nfs/dbraw/zinc/80/28/41/570802841.db2.gz YFESMSPMTWRVSF-SFHVURJKSA-N 1 1 397.567 3.550 50 0 GHAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000014093333 570821869 /nfs/dbraw/zinc/82/18/69/570821869.db2.gz IRJMAXXHPNBLCF-FQEVSTJZSA-N 1 1 386.499 3.754 50 0 GHAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000007446715 570844352 /nfs/dbraw/zinc/84/43/52/570844352.db2.gz MEFKOZLHRROKAL-HXUWFJFHSA-N 1 1 381.476 3.698 50 0 GHAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@](F)(COC(=O)c2cccc(NC(N)=O)c2)C1 ZINC000170595881 570853118 /nfs/dbraw/zinc/85/31/18/570853118.db2.gz OBFRVFOZJFNUGZ-VFNWGFHPSA-N 1 1 385.439 3.509 50 0 GHAAMO COCCn1cc(CCC(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000170613480 570871714 /nfs/dbraw/zinc/87/17/14/570871714.db2.gz WICSSRSKKWFWKR-KNQAVFIVSA-N 1 1 397.563 3.601 50 0 GHAAMO COCC[NH+]1CCN(C(=O)C[C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000015071606 570877454 /nfs/dbraw/zinc/87/74/54/570877454.db2.gz CZSIJCWVAOGKAX-HXUWFJFHSA-N 1 1 386.923 3.653 50 0 GHAAMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](C[C@H](O)COC(C)(C)C)CC2 ZINC000103357628 570881545 /nfs/dbraw/zinc/88/15/45/570881545.db2.gz KTNAMCPZFFKBAY-WMZHIEFXSA-N 1 1 399.531 3.827 50 0 GHAAMO CC[N@H+]1CCC[C@H]1CNC(=S)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000104650664 570901434 /nfs/dbraw/zinc/90/14/34/570901434.db2.gz OWEWYUVKUZQWHC-GHTZIAJQSA-N 1 1 393.560 3.601 50 0 GHAAMO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000104650664 570901437 /nfs/dbraw/zinc/90/14/37/570901437.db2.gz OWEWYUVKUZQWHC-GHTZIAJQSA-N 1 1 393.560 3.601 50 0 GHAAMO CC[N@H+]1CCC[C@H]1CNC(=S)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000104650664 570901439 /nfs/dbraw/zinc/90/14/39/570901439.db2.gz OWEWYUVKUZQWHC-GHTZIAJQSA-N 1 1 393.560 3.601 50 0 GHAAMO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000016343929 570923005 /nfs/dbraw/zinc/92/30/05/570923005.db2.gz YYHLELJWHOSZTD-NRFANRHFSA-N 1 1 394.515 3.952 50 0 GHAAMO Cc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000016343929 570923010 /nfs/dbraw/zinc/92/30/10/570923010.db2.gz YYHLELJWHOSZTD-NRFANRHFSA-N 1 1 394.515 3.952 50 0 GHAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)CC3CCCC3)CC2)[nH+]1 ZINC000017012165 570923938 /nfs/dbraw/zinc/92/39/38/570923938.db2.gz SSWHEEHKGQGTHH-UHFFFAOYSA-N 1 1 379.508 3.758 50 0 GHAAMO O=C(c1ccc(OCc2cccnc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000032032250 570934759 /nfs/dbraw/zinc/93/47/59/570934759.db2.gz JTLNZINRRHAFRA-UHFFFAOYSA-N 1 1 387.483 3.619 50 0 GHAAMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000252512748 570982518 /nfs/dbraw/zinc/98/25/18/570982518.db2.gz VGLFMOVCZSFDAJ-JHBZICRXSA-N 1 1 395.522 3.677 50 0 GHAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000091505866 571011623 /nfs/dbraw/zinc/01/16/23/571011623.db2.gz HTAARILHAGTHFF-GOSISDBHSA-N 1 1 381.455 3.806 50 0 GHAAMO CN(C)c1cc(C(F)(F)F)cc(-c2ccc(CN3CC[NH+](C)CC3)cc2)n1 ZINC000091695371 571026409 /nfs/dbraw/zinc/02/64/09/571026409.db2.gz VCYPZILDYIIXRW-UHFFFAOYSA-N 1 1 378.442 3.581 50 0 GHAAMO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012780674 571034347 /nfs/dbraw/zinc/03/43/47/571034347.db2.gz TZCRGFPLWDQCHJ-ZWKOTPCHSA-N 1 1 395.503 3.681 50 0 GHAAMO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012780674 571034349 /nfs/dbraw/zinc/03/43/49/571034349.db2.gz TZCRGFPLWDQCHJ-ZWKOTPCHSA-N 1 1 395.503 3.681 50 0 GHAAMO Cc1ccc(C[N@H+]2CCCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000012785849 571038782 /nfs/dbraw/zinc/03/87/82/571038782.db2.gz WAVJCEPIAJRNRI-UHFFFAOYSA-N 1 1 398.514 3.836 50 0 GHAAMO O=C1N(CC2CCC2)CCC[C@@]12CC[N@@H+](Cc1cc(-c3ccccc3)no1)C2 ZINC000092061580 571043075 /nfs/dbraw/zinc/04/30/75/571043075.db2.gz MFOAQWVXWNVZGV-QHCPKHFHSA-N 1 1 379.504 3.956 50 0 GHAAMO Cc1ccc(-n2cccn2)c(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)c1 ZINC000095352184 571050028 /nfs/dbraw/zinc/05/00/28/571050028.db2.gz UMXAKLCJOHRZGR-JTHBVZDNSA-N 1 1 387.531 3.672 50 0 GHAAMO COc1ccc([C@@H]2C[N@@H+](Cc3cnn(C(C)C)c3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095367706 571059272 /nfs/dbraw/zinc/05/92/72/571059272.db2.gz XUFMFYYMXVUZMG-YTFSRNRJSA-N 1 1 380.536 3.535 50 0 GHAAMO COc1ccc([C@@H]2CN(Cc3cnn(C(C)C)c3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095367706 571059273 /nfs/dbraw/zinc/05/92/73/571059273.db2.gz XUFMFYYMXVUZMG-YTFSRNRJSA-N 1 1 380.536 3.535 50 0 GHAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)c1cccn1C1CC1 ZINC000095509975 571081209 /nfs/dbraw/zinc/08/12/09/571081209.db2.gz OHGNILRUPCKRPU-IBGZPJMESA-N 1 1 383.511 3.989 50 0 GHAAMO C[C@H]1CCCC[N@H+]1Cc1cccc(NC(=O)N(C)CCCc2cnn(C)c2)c1 ZINC000095520389 571086744 /nfs/dbraw/zinc/08/67/44/571086744.db2.gz OMEVUCZEMWZHAO-SFHVURJKSA-N 1 1 383.540 3.891 50 0 GHAAMO Cc1noc(CN(C)C[C@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)n1 ZINC000095521266 571086957 /nfs/dbraw/zinc/08/69/57/571086957.db2.gz GVZMFOLVCVDDCG-QGZVFWFLSA-N 1 1 396.457 3.783 50 0 GHAAMO CC(C)Oc1ccc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c(Cl)c1 ZINC000187226724 836263307 /nfs/dbraw/zinc/26/33/07/836263307.db2.gz PGGLQUDERLNLKX-HNNXBMFYSA-N 1 1 395.931 3.844 50 0 GHAAMO C[C@@H]1CCC[N@H+]([C@H]2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)C1 ZINC000023379566 836849166 /nfs/dbraw/zinc/84/91/66/836849166.db2.gz VRGBEIHHTKTCIC-ZBFHGGJFSA-N 1 1 378.900 3.682 50 0 GHAAMO Cc1noc([C@@]23C[N@@H+](Cc4ccccc4)C[C@@H]2CCN(Cc2ccccc2)C3)n1 ZINC000257179943 838794201 /nfs/dbraw/zinc/79/42/01/838794201.db2.gz DBKYJYNUUDUXEO-UPVQGACJSA-N 1 1 388.515 3.654 50 0 GHAAMO Cc1noc([C@@]23CN(Cc4ccccc4)C[C@@H]2CC[N@H+](Cc2ccccc2)C3)n1 ZINC000257179943 838794209 /nfs/dbraw/zinc/79/42/09/838794209.db2.gz DBKYJYNUUDUXEO-UPVQGACJSA-N 1 1 388.515 3.654 50 0 GHAAMO Cc1noc([C@@]23CN(Cc4ccccc4)C[C@@H]2CC[N@@H+](Cc2ccccc2)C3)n1 ZINC000257179943 838794218 /nfs/dbraw/zinc/79/42/18/838794218.db2.gz DBKYJYNUUDUXEO-UPVQGACJSA-N 1 1 388.515 3.654 50 0 GHAAMO OCC[C@@H]1CN(C2CCN(c3ccccc3)CC2)CC[N@H+]1CC1CCCCC1 ZINC000019740532 839830514 /nfs/dbraw/zinc/83/05/14/839830514.db2.gz OJLMXBOFVGENAS-XMMPIXPASA-N 1 1 385.596 3.604 50 0 GHAAMO COc1ccc(/C=C/C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000019866831 839855633 /nfs/dbraw/zinc/85/56/33/839855633.db2.gz IRBKZNGQMYTWQZ-COIATFDQSA-N 1 1 391.559 3.995 50 0 GHAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000019866831 839855639 /nfs/dbraw/zinc/85/56/39/839855639.db2.gz IRBKZNGQMYTWQZ-COIATFDQSA-N 1 1 391.559 3.995 50 0 GHAAMO CCn1cc(C[N@H+]2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)c2ccccc21 ZINC000022913561 846764662 /nfs/dbraw/zinc/76/46/62/846764662.db2.gz UAHVPWKJJQAKJM-FQEVSTJZSA-N 1 1 381.520 3.631 50 0 GHAAMO COc1c2c(cc3c1[C@H](C[C@@H](OC(C)=O)c1ccccc1)[N@@H+](C)CC3)OCO2 ZINC000004029530 862722952 /nfs/dbraw/zinc/72/29/52/862722952.db2.gz HOJWQTIDNXZUOL-ZWKOTPCHSA-N 1 1 383.444 3.647 50 0 biogenic GHAAMO CC(C)c1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+]2CCCC2)cc1 ZINC000008899988 856640318 /nfs/dbraw/zinc/64/03/18/856640318.db2.gz MBCYCOUOBBVZGC-IBGZPJMESA-N 1 1 378.563 3.987 50 0 GHAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cccc(CSC)c3)cc2)CC1 ZINC000040090079 856656284 /nfs/dbraw/zinc/65/62/84/856656284.db2.gz GWPUIPRQXLOKIE-UHFFFAOYSA-N 1 1 383.561 3.939 50 0 GHAAMO C[N@H+](Cc1ccco1)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000245257902 856782388 /nfs/dbraw/zinc/78/23/88/856782388.db2.gz HEKDZDYIDPZFMW-MSOLQXFVSA-N 1 1 382.913 3.655 50 0 GHAAMO C[N@@H+](Cc1ccco1)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000245257902 856782431 /nfs/dbraw/zinc/78/24/31/856782431.db2.gz HEKDZDYIDPZFMW-MSOLQXFVSA-N 1 1 382.913 3.655 50 0 GHAAMO Cc1nc(C)c(CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)s1 ZINC000011841840 857578613 /nfs/dbraw/zinc/57/86/13/857578613.db2.gz JRVZQACBTQCDSY-KRWDZBQOSA-N 1 1 377.941 3.737 50 0 GHAAMO Cc1nc(C)c(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)s1 ZINC000011841840 857578622 /nfs/dbraw/zinc/57/86/22/857578622.db2.gz JRVZQACBTQCDSY-KRWDZBQOSA-N 1 1 377.941 3.737 50 0 GHAAMO COc1ccc(OC)c(C[N@H+]2CCC[C@@H](Nc3ccc(OC)c(OC)c3)C2)c1 ZINC000012319851 859195825 /nfs/dbraw/zinc/19/58/25/859195825.db2.gz OTUVONNIRHTJTJ-GOSISDBHSA-N 1 1 386.492 3.798 50 0 GHAAMO CC(=O)N1CCC([C@@H]2CC[N@@H+](Cc3cc(Br)ccc3F)C2)CC1 ZINC000169781507 859777408 /nfs/dbraw/zinc/77/74/08/859777408.db2.gz XUNUSIWQQOJOLH-OAHLLOKOSA-N 1 1 383.305 3.669 50 0 GHAAMO c1cnn(-c2ccc(C[N@H+]3CCC[C@H](Nc4ccc5c(c4)OCO5)C3)cc2)c1 ZINC000012304003 859830665 /nfs/dbraw/zinc/83/06/65/859830665.db2.gz IELQCNPQKSBIRD-IBGZPJMESA-N 1 1 376.460 3.678 50 0 GHAAMO Cn1cnnc1C1CC[NH+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000328596163 860184278 /nfs/dbraw/zinc/18/42/78/860184278.db2.gz VMTOUFAMRZEUBO-FQEVSTJZSA-N 1 1 393.466 3.514 50 0 GHAAMO C[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(CCNC(=O)/C=C/c2ccccc2)CC1 ZINC000020241348 860525525 /nfs/dbraw/zinc/52/55/25/860525525.db2.gz LWKXJUIYMMWRPW-MUHIBDNSSA-N 1 1 383.580 3.791 50 0 GHAAMO C[C@H](NC(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1)c1cccc2ccccc21 ZINC000095465101 860593530 /nfs/dbraw/zinc/59/35/30/860593530.db2.gz PNBHXPVZVGCWPP-KRWDZBQOSA-N 1 1 376.504 3.756 50 0 GHAAMO C[C@H](NC(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1)c1cccc2ccccc21 ZINC000095465101 860593535 /nfs/dbraw/zinc/59/35/35/860593535.db2.gz PNBHXPVZVGCWPP-KRWDZBQOSA-N 1 1 376.504 3.756 50 0 GHAAMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(OCC(=O)Nc3ccccc3)cc2)C[C@@H]1O ZINC000095467756 860594622 /nfs/dbraw/zinc/59/46/22/860594622.db2.gz MADZDLNMXDGUDU-YADHBBJMSA-N 1 1 396.531 3.933 50 0 GHAAMO CCCC[N@@H+](C)CCCNC(=O)c1cnn(-c2cccc(F)c2)c1-n1cccc1 ZINC000020980696 860687255 /nfs/dbraw/zinc/68/72/55/860687255.db2.gz FGQYMURPFCETAW-UHFFFAOYSA-N 1 1 397.498 3.654 50 0 GHAAMO Cc1ccc2nc(C)cc(C(=O)Nc3ccccc3NC(=O)C[NH+](C)C)c2c1 ZINC000823678319 863156369 /nfs/dbraw/zinc/15/63/69/863156369.db2.gz IECXBMFXSGUQLJ-UHFFFAOYSA-N 1 1 376.460 3.604 50 0 GHAAMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 ZINC000184416072 864460230 /nfs/dbraw/zinc/46/02/30/864460230.db2.gz DRJWOKKPKWIXTJ-QGZVFWFLSA-N 1 1 398.555 3.903 50 0 GHAAMO O=C(Cc1cccs1)NC[C@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000827855713 865138250 /nfs/dbraw/zinc/13/82/50/865138250.db2.gz XYJMWSHTSKZANH-GOSISDBHSA-N 1 1 394.544 3.505 50 0 GHAAMO O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000828013110 865170164 /nfs/dbraw/zinc/17/01/64/865170164.db2.gz RKVWDBCPRVKOLE-HXUWFJFHSA-N 1 1 391.515 3.977 50 0 GHAAMO O=C(NCC[N@H+]1CCC[C@H](c2ccccc2)C1)c1c[nH]c(=O)c2ccccc12 ZINC000828137146 865204363 /nfs/dbraw/zinc/20/43/63/865204363.db2.gz XXVOJCWBGYJUQD-SFHVURJKSA-N 1 1 375.472 3.550 50 0 GHAAMO COc1ccc([C@H]2CCCN2C(=O)C[NH2+]C(C)(C)c2nc(C)c(C)s2)cc1 ZINC000173953478 865248505 /nfs/dbraw/zinc/24/85/05/865248505.db2.gz YQQYFKCJDIDBNL-GOSISDBHSA-N 1 1 387.549 3.957 50 0 GHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cn2c(n1)CC[C@H](c1ccccc1)C2 ZINC000034840117 865912856 /nfs/dbraw/zinc/91/28/56/865912856.db2.gz QQVAGPWOYRJSCC-ICSRJNTNSA-N 1 1 380.536 3.607 50 0 GHAAMO COCc1ncc(C)n1C[C@@H]1CCC[N@@H+](Cc2cn(C)c3ccc(OC)cc23)C1 ZINC000575549742 866190053 /nfs/dbraw/zinc/19/00/53/866190053.db2.gz QOEFGIXEKXKNLX-GOSISDBHSA-N 1 1 396.535 3.750 50 0 GHAAMO CC(C)NC(=O)c1ccccc1OC[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000581775822 869966834 /nfs/dbraw/zinc/96/68/34/869966834.db2.gz UPAQCBGFWJVZFQ-IBGZPJMESA-N 1 1 382.504 3.821 50 0 GHAAMO COCCO[C@@H]1C[N@@H+](C2CCN(C(=O)C3CCCCC3)CC2)C12CCCCC2 ZINC000581802006 870001968 /nfs/dbraw/zinc/00/19/68/870001968.db2.gz COWYSVHUVKTIJA-OAQYLSRUSA-N 1 1 392.584 3.608 50 0 GHAAMO CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1COC ZINC000581813334 870032263 /nfs/dbraw/zinc/03/22/63/870032263.db2.gz YETMEGKXQBNBEO-DHIUTWEWSA-N 1 1 380.532 3.962 50 0 GHAAMO Cc1nc(-c2cc3c(s2)CC[N@@H+](C[C@H](O)COCc2ccco2)C3)cs1 ZINC000180876374 879438943 /nfs/dbraw/zinc/43/89/43/879438943.db2.gz ZLPPEZCIFJDLJQ-HNNXBMFYSA-N 1 1 390.530 3.709 50 0 GHAAMO COc1ccc([C@H](CN(C)C)[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000585081184 897051588 /nfs/dbraw/zinc/05/15/88/897051588.db2.gz DXAROIVVGIIHCG-SFHVURJKSA-N 1 1 376.884 3.512 50 0 GHAAMO Cc1cc(C[N@H+](CC2CCOCC2)[C@@H](C)c2cccnc2)ccc1-n1cncn1 ZINC000952846110 904628145 /nfs/dbraw/zinc/62/81/45/904628145.db2.gz CHHSHSZOBOZISI-IBGZPJMESA-N 1 1 391.519 3.961 50 0 GHAAMO Cc1nc(COc2ccc(C[N@@H+](C)C[C@H]3CCn4ccnc4C3)cc2)cs1 ZINC000952846316 904629280 /nfs/dbraw/zinc/62/92/80/904629280.db2.gz ZOCWVTAUFNDHQE-SFHVURJKSA-N 1 1 382.533 3.921 50 0 GHAAMO CN(Cc1ccc(C[N@H+]2CCCC[C@H]2CCc2cccs2)o1)S(C)(=O)=O ZINC000952971226 904649765 /nfs/dbraw/zinc/64/97/65/904649765.db2.gz RVZMJOJESSWRNS-INIZCTEOSA-N 1 1 396.578 3.720 50 0 GHAAMO Cc1cccc(N2CCC([N@H+]3CCCN(C(=O)c4ccco4)CC3)CC2)c1C ZINC000952984243 904669762 /nfs/dbraw/zinc/66/97/62/904669762.db2.gz YEMRRRHLJKJHKA-UHFFFAOYSA-N 1 1 381.520 3.713 50 0 GHAAMO Cc1ccc2[nH]c(CCCNC(=O)[C@@H](c3ccccc3C)[NH+](C)C)nc2c1C ZINC000952985411 904671502 /nfs/dbraw/zinc/67/15/02/904671502.db2.gz AGRAMVVNYSCMLX-JOCHJYFZSA-N 1 1 378.520 3.840 50 0 GHAAMO COc1ccccc1N1CC[C@H]([NH+]2CCC(OCc3ccc(F)cc3)CC2)C1=O ZINC000091887896 911314585 /nfs/dbraw/zinc/31/45/85/911314585.db2.gz YGZYMIWUAXZZOO-NRFANRHFSA-N 1 1 398.478 3.621 50 0 GHAAMO Cc1cccn2c(C[N@H+]3CCC[C@H](CNC(=O)Nc4cccc(F)c4)C3)cnc12 ZINC000092709002 911725972 /nfs/dbraw/zinc/72/59/72/911725972.db2.gz BSRROKBRYAARFA-QGZVFWFLSA-N 1 1 395.482 3.816 50 0 GHAAMO S=c1[nH]c(C=Cc2ccccc2)nn1CN1CC[NH+](Cc2cccs2)CC1 ZINC000096812546 915069876 /nfs/dbraw/zinc/06/98/76/915069876.db2.gz YXAQWILMOOLPQQ-HJWRWDBZSA-N 1 1 397.573 3.948 50 0 GHAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc4c(cc2Cl)OCO4)N3)C1 ZINC000004556141 204052984 /nfs/dbraw/zinc/05/29/84/204052984.db2.gz ZXTUDZMGYCYUNA-INIZCTEOSA-N 1 1 391.880 3.937 50 0 GHAAMO Brc1ccc(SCC[NH2+]Cc2cnn(-c3ccccc3)n2)cc1 ZINC000006651100 204188101 /nfs/dbraw/zinc/18/81/01/204188101.db2.gz MIDDEJCNPVVJGV-UHFFFAOYSA-N 1 1 389.322 3.912 50 0 GHAAMO O=C(NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000035592966 204266445 /nfs/dbraw/zinc/26/64/45/204266445.db2.gz RBLRSZGVFGIHRG-LJQANCHMSA-N 1 1 392.421 3.899 50 0 GHAAMO O=C(NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000035592966 204266449 /nfs/dbraw/zinc/26/64/49/204266449.db2.gz RBLRSZGVFGIHRG-LJQANCHMSA-N 1 1 392.421 3.899 50 0 GHAAMO CCC(CC)C(=O)N1CCN(c2nc(Nc3ccc(OC)cc3)cc(C)[nH+]2)CC1 ZINC000009573250 204315305 /nfs/dbraw/zinc/31/53/05/204315305.db2.gz ITJLAYKUTMXUNP-UHFFFAOYSA-N 1 1 397.523 3.622 50 0 GHAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1cccnc1OC ZINC000011879196 204358640 /nfs/dbraw/zinc/35/86/40/204358640.db2.gz BRDVWLDYZWOOEP-IBGZPJMESA-N 1 1 399.510 3.646 50 0 GHAAMO CCN(Cc1cnn(CC)c1C)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000011878326 204359902 /nfs/dbraw/zinc/35/99/02/204359902.db2.gz HHYIQVDEDBQOKS-JOCHJYFZSA-N 1 1 398.595 3.997 50 0 GHAAMO CCn1ncc(C[N@H+](CC)C[C@H]2CCCN(CCc3cccc(OC)c3)C2)c1C ZINC000011878326 204359919 /nfs/dbraw/zinc/35/99/19/204359919.db2.gz HHYIQVDEDBQOKS-JOCHJYFZSA-N 1 1 398.595 3.997 50 0 GHAAMO CCn1ncc(C[N@@H+](CC)C[C@H]2CCCN(CCc3cccc(OC)c3)C2)c1C ZINC000011878326 204359923 /nfs/dbraw/zinc/35/99/23/204359923.db2.gz HHYIQVDEDBQOKS-JOCHJYFZSA-N 1 1 398.595 3.997 50 0 GHAAMO CC(C)Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)[nH]n1 ZINC000011936005 204364074 /nfs/dbraw/zinc/36/40/74/204364074.db2.gz OLHAUIOMRRWORF-HSZRJFAPSA-N 1 1 398.526 3.876 50 0 GHAAMO CC(C)Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)n[nH]1 ZINC000011936005 204364077 /nfs/dbraw/zinc/36/40/77/204364077.db2.gz OLHAUIOMRRWORF-HSZRJFAPSA-N 1 1 398.526 3.876 50 0 GHAAMO CC(C)Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)n[nH]1 ZINC000011936005 204364081 /nfs/dbraw/zinc/36/40/81/204364081.db2.gz OLHAUIOMRRWORF-HSZRJFAPSA-N 1 1 398.526 3.876 50 0 GHAAMO O=C(CCC(=O)c1ccccc1)N[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000011997067 204366559 /nfs/dbraw/zinc/36/65/59/204366559.db2.gz UPTHPXULDLMMGM-JOCHJYFZSA-N 1 1 378.516 3.863 50 0 GHAAMO CC[C@@H](C(=O)Nc1ccc(F)cc1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000011193565 204343413 /nfs/dbraw/zinc/34/34/13/204343413.db2.gz GRDSWZUINXQTGQ-FQEVSTJZSA-N 1 1 385.483 3.511 50 0 GHAAMO CC[C@@H](C(=O)Nc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000011193565 204343416 /nfs/dbraw/zinc/34/34/16/204343416.db2.gz GRDSWZUINXQTGQ-FQEVSTJZSA-N 1 1 385.483 3.511 50 0 GHAAMO COc1cccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(C)s3)C2)c1OC ZINC000012193502 204380811 /nfs/dbraw/zinc/38/08/11/204380811.db2.gz JSPGABGYOOZCAZ-MRXNPFEDSA-N 1 1 388.533 3.716 50 0 GHAAMO CCC[N@H+]1CCCN(c2ccc(-c3nc(Cc4ccccc4)no3)cn2)CC1 ZINC000012303852 204393644 /nfs/dbraw/zinc/39/36/44/204393644.db2.gz QZNMANXODOVZQO-UHFFFAOYSA-N 1 1 377.492 3.645 50 0 GHAAMO CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012326163 204397913 /nfs/dbraw/zinc/39/79/13/204397913.db2.gz IFTZFXUWUKNDLY-LJQANCHMSA-N 1 1 397.494 3.525 50 0 GHAAMO COc1ccc(F)c(CN2CCC[C@]3(CC[N@@H+](Cc4cccs4)C3)C2=O)c1 ZINC000014957332 204547208 /nfs/dbraw/zinc/54/72/08/204547208.db2.gz VKQBEHBETXBJPC-OAQYLSRUSA-N 1 1 388.508 3.911 50 0 GHAAMO CCOc1cccc(N2C(=O)C[C@@H]([NH+]3CCC(Cc4ccccc4)CC3)C2=O)c1 ZINC000018123175 204616012 /nfs/dbraw/zinc/61/60/12/204616012.db2.gz IQIKCSZVQKHYRN-JOCHJYFZSA-N 1 1 392.499 3.672 50 0 GHAAMO CCCN(C(=O)C[NH+]1CCC(NC(=O)c2ccccc2)CC1)C1=CCCCC1 ZINC000025830266 204836228 /nfs/dbraw/zinc/83/62/28/204836228.db2.gz DIARULHWNDHKEI-UHFFFAOYSA-N 1 1 383.536 3.577 50 0 GHAAMO COCCC[N@H+](Cc1ccccc1F)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036030945 205002579 /nfs/dbraw/zinc/00/25/79/205002579.db2.gz VXWVBDORZZJYSX-GOSISDBHSA-N 1 1 381.875 3.758 50 0 GHAAMO CC[C@H](C)[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COCc1ccccc1 ZINC000036095810 205005568 /nfs/dbraw/zinc/00/55/68/205005568.db2.gz QAYYFTDCJZFZFS-RXVVDRJESA-N 1 1 387.520 3.882 50 0 GHAAMO COCCC[N@H+](Cc1ccc(F)cc1F)C[C@@H](O)COc1ccccc1C ZINC000036099717 205005601 /nfs/dbraw/zinc/00/56/01/205005601.db2.gz LBVCEOWOPGUTHE-LJQANCHMSA-N 1 1 379.447 3.552 50 0 GHAAMO COc1cccc(C[N@H+](Cc2ccccc2)C[C@@H](O)COC(C)(C)C)c1OC ZINC000036103654 205005943 /nfs/dbraw/zinc/00/59/43/205005943.db2.gz KJJCSUZGEAJQOS-HXUWFJFHSA-N 1 1 387.520 3.882 50 0 GHAAMO COc1ccc(C[N@@H+](CCC(C)C)C[C@@H](O)COc2ccc(OC)cc2)cc1 ZINC000036095303 205006648 /nfs/dbraw/zinc/00/66/48/205006648.db2.gz NINONKWEOOOPNT-HXUWFJFHSA-N 1 1 387.520 3.992 50 0 GHAAMO COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000036341203 205011098 /nfs/dbraw/zinc/01/10/98/205011098.db2.gz XAEOPTULZJGMBW-JOCHJYFZSA-N 1 1 395.478 3.998 50 0 GHAAMO CCc1noc(C)c1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000039388270 205042187 /nfs/dbraw/zinc/04/21/87/205042187.db2.gz UWHWOJVKXJDYON-QHCPKHFHSA-N 1 1 381.520 3.716 50 0 GHAAMO Cn1cc(CN2CC[N@@H+](CC3CCCCC3)[C@H](CCO)C2)c(-c2ccccc2)n1 ZINC000039455556 205043130 /nfs/dbraw/zinc/04/31/30/205043130.db2.gz GMFKIZKAQGBFSF-HSZRJFAPSA-N 1 1 396.579 3.536 50 0 GHAAMO CC(=O)Nc1ccc(CC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000040107145 205052679 /nfs/dbraw/zinc/05/26/79/205052679.db2.gz OYOYQNJJKMWEGF-GOSISDBHSA-N 1 1 393.531 3.878 50 0 GHAAMO O=S(=O)(c1ccc(C[N@H+]2CCC[C@H]2CCc2ccccc2)o1)N1CCCC1 ZINC000040153651 205059347 /nfs/dbraw/zinc/05/93/47/205059347.db2.gz VVOAWFBEVAZSIS-IBGZPJMESA-N 1 1 388.533 3.661 50 0 GHAAMO COc1ccc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1Br ZINC000046991415 205108492 /nfs/dbraw/zinc/10/84/92/205108492.db2.gz NMTSULUIFCFJEF-CQSZACIVSA-N 1 1 383.330 3.700 50 0 GHAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000085875992 205129622 /nfs/dbraw/zinc/12/96/22/205129622.db2.gz MMDNYTWXTVQCBE-RBBKRZOGSA-N 1 1 391.515 3.933 50 0 biogenic GHAAMO O=C(CCCc1cccs1)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000051420539 205133812 /nfs/dbraw/zinc/13/38/12/205133812.db2.gz HYVCRUJCEYVYBC-UHFFFAOYSA-N 1 1 397.544 3.996 50 0 GHAAMO COCC[N@H+]1CC[C@@H](CN(C)C(=O)c2cccc(NCc3ccc(C)cc3)c2)C1 ZINC000055197458 205145405 /nfs/dbraw/zinc/14/54/05/205145405.db2.gz WASDEVFGMMTJQA-NRFANRHFSA-N 1 1 395.547 3.647 50 0 GHAAMO CCn1cc(-c2cc(C(=O)N3CCC[N@@H+](C)C[C@H]3C)c3ccc(C)cc3n2)cn1 ZINC000063871430 205187887 /nfs/dbraw/zinc/18/78/87/205187887.db2.gz JJBDQRGHQXTQFX-QGZVFWFLSA-N 1 1 391.519 3.593 50 0 GHAAMO C[N@@H+]1CCN(C(=O)Cc2csc(-c3ccsc3)n2)[C@@H](c2ccccc2)C1 ZINC000058369871 205174078 /nfs/dbraw/zinc/17/40/78/205174078.db2.gz MPGDPFPVKFPQOX-GOSISDBHSA-N 1 1 383.542 3.929 50 0 GHAAMO C[N@H+]1CCN(C(=O)Cc2csc(-c3ccsc3)n2)[C@@H](c2ccccc2)C1 ZINC000058369871 205174083 /nfs/dbraw/zinc/17/40/83/205174083.db2.gz MPGDPFPVKFPQOX-GOSISDBHSA-N 1 1 383.542 3.929 50 0 GHAAMO COC(=O)c1sc(NCc2ccc(-n3cc[nH+]c3C)c(F)c2)nc1Cl ZINC000058413500 205175244 /nfs/dbraw/zinc/17/52/44/205175244.db2.gz IBZOTWKJOYAJGI-UHFFFAOYSA-N 1 1 380.832 3.828 50 0 GHAAMO CCc1ccccc1NC(=O)C[NH+]1CCC(c2nc(-c3ccncc3)no2)CC1 ZINC000065184196 205216187 /nfs/dbraw/zinc/21/61/87/205216187.db2.gz YQGVJYPLELLKED-UHFFFAOYSA-N 1 1 391.475 3.512 50 0 GHAAMO CCc1csc(-c2ccc(S(=O)(=O)NCC[N@@H+]3CCCC[C@H]3C)s2)n1 ZINC000064755861 205193637 /nfs/dbraw/zinc/19/36/37/205193637.db2.gz WYEZEHZUIZLSIY-CYBMUJFWSA-N 1 1 399.607 3.587 50 0 GHAAMO CCc1csc(-c2ccc(S(=O)(=O)NCC[N@H+]3CCCC[C@H]3C)s2)n1 ZINC000064755861 205193641 /nfs/dbraw/zinc/19/36/41/205193641.db2.gz WYEZEHZUIZLSIY-CYBMUJFWSA-N 1 1 399.607 3.587 50 0 GHAAMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C(=O)Nc3cc(C)nn3C)cc2)on1 ZINC000065370039 205231498 /nfs/dbraw/zinc/23/14/98/205231498.db2.gz FCUUMUAICQOTBH-SFHVURJKSA-N 1 1 379.464 3.614 50 0 GHAAMO Cc1cc(C)c(NC(=O)CC[NH2+]Cc2nc(C)cc(C(F)(F)F)n2)c(C)c1 ZINC000065420026 205234644 /nfs/dbraw/zinc/23/46/44/205234644.db2.gz STCCWWGSRXFHNY-UHFFFAOYSA-N 1 1 380.414 3.847 50 0 GHAAMO CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC000067854746 205264134 /nfs/dbraw/zinc/26/41/34/205264134.db2.gz PRBOYRYYJXPDCO-JOCHJYFZSA-N 1 1 375.520 3.958 50 0 GHAAMO CCN(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000067854746 205264139 /nfs/dbraw/zinc/26/41/39/205264139.db2.gz PRBOYRYYJXPDCO-JOCHJYFZSA-N 1 1 375.520 3.958 50 0 GHAAMO CCN(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000067854746 205264141 /nfs/dbraw/zinc/26/41/41/205264141.db2.gz PRBOYRYYJXPDCO-JOCHJYFZSA-N 1 1 375.520 3.958 50 0 GHAAMO CNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)C1 ZINC000067908325 205267320 /nfs/dbraw/zinc/26/73/20/205267320.db2.gz PEIHBWBTODPPTL-AWEZNQCLSA-N 1 1 381.398 3.627 50 0 GHAAMO COc1ccc2cc([C@@H]3CN(C(=O)c4ccc(C[NH+](C)C)o4)CCO3)ccc2c1 ZINC000071639183 205284809 /nfs/dbraw/zinc/28/48/09/205284809.db2.gz UMUIGVVYGANLMP-QFIPXVFZSA-N 1 1 394.471 3.717 50 0 GHAAMO CCCc1n[nH]cc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071735610 205288344 /nfs/dbraw/zinc/28/83/44/205288344.db2.gz NSEZHXGGHTUMAM-OAQYLSRUSA-N 1 1 386.515 3.874 50 0 GHAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@@H](c2cc(=O)[nH]cn2)C1 ZINC000071711920 205288377 /nfs/dbraw/zinc/28/83/77/205288377.db2.gz CADCYHBOCDZKJW-OAHLLOKOSA-N 1 1 384.867 3.766 50 0 GHAAMO CCOC(=O)c1cnn2cc(C[N@H+]3CCC[C@@H](CCc4ccccc4)C3)cnc12 ZINC000071760124 205292999 /nfs/dbraw/zinc/29/29/99/205292999.db2.gz AFVBRZWVWKUNQX-IBGZPJMESA-N 1 1 392.503 3.751 50 0 GHAAMO Cc1c[nH]c(CN2CCC[N@@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)c(C)c1=O ZINC000071761948 205293834 /nfs/dbraw/zinc/29/38/34/205293834.db2.gz ZVHWJIHGYVCXAR-QFIPXVFZSA-N 1 1 385.527 3.863 50 0 GHAAMO Cc1c[nH]c(C[N@@H+]2CCCN(Cc3ccc(F)cc3)[C@H](C(C)C)C2)c(C)c1=O ZINC000071761948 205293838 /nfs/dbraw/zinc/29/38/38/205293838.db2.gz ZVHWJIHGYVCXAR-QFIPXVFZSA-N 1 1 385.527 3.863 50 0 GHAAMO Cc1c[nH]c(C[N@H+]2CCCN(Cc3ccc(F)cc3)[C@H](C(C)C)C2)c(C)c1=O ZINC000071761948 205293840 /nfs/dbraw/zinc/29/38/40/205293840.db2.gz ZVHWJIHGYVCXAR-QFIPXVFZSA-N 1 1 385.527 3.863 50 0 GHAAMO Cc1cccn2c(C[N@@H+]3CCC[C@@H]3C)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000071760926 205294211 /nfs/dbraw/zinc/29/42/11/205294211.db2.gz FWOWIJSJCLNSMB-IBGZPJMESA-N 1 1 390.531 3.942 50 0 GHAAMO COc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)cc(OC)c1 ZINC000071764473 205295417 /nfs/dbraw/zinc/29/54/17/205295417.db2.gz DBFXGAWCGJHIJF-WXFUMESZSA-N 1 1 378.516 3.766 50 0 GHAAMO COc1cc(CN2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc(OC)c1 ZINC000071764473 205295422 /nfs/dbraw/zinc/29/54/22/205295422.db2.gz DBFXGAWCGJHIJF-WXFUMESZSA-N 1 1 378.516 3.766 50 0 GHAAMO COc1ccc(C(=O)[C@H]2CCCN(Cc3[nH+]cc(C)c(OC)c3C)C2)cc1F ZINC000071776413 205297292 /nfs/dbraw/zinc/29/72/92/205297292.db2.gz NUBUMWHNFTZGON-KRWDZBQOSA-N 1 1 386.467 3.950 50 0 GHAAMO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ncc(C)c(OC)c3C)C2)cc1F ZINC000071776413 205297297 /nfs/dbraw/zinc/29/72/97/205297297.db2.gz NUBUMWHNFTZGON-KRWDZBQOSA-N 1 1 386.467 3.950 50 0 GHAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ncc(C)c(OC)c3C)C2)cc1F ZINC000071776413 205297301 /nfs/dbraw/zinc/29/73/01/205297301.db2.gz NUBUMWHNFTZGON-KRWDZBQOSA-N 1 1 386.467 3.950 50 0 GHAAMO O=S(=O)(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(F)cc1Cl ZINC000071849025 205299568 /nfs/dbraw/zinc/29/95/68/205299568.db2.gz TYFJTMSWSMBNGJ-CQSZACIVSA-N 1 1 388.917 3.656 50 0 GHAAMO O=C(C[NH+]1CCC(C2OCCO2)CC1)Nc1cccc(Oc2ccccc2)c1 ZINC000069951682 205278123 /nfs/dbraw/zinc/27/81/23/205278123.db2.gz SWLAFVITXDUBQP-UHFFFAOYSA-N 1 1 382.460 3.502 50 0 GHAAMO COc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)c1 ZINC000077302013 205359932 /nfs/dbraw/zinc/35/99/32/205359932.db2.gz QFFWDHJJVWEYIZ-UHFFFAOYSA-N 1 1 390.487 3.564 50 0 GHAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)C[C@H](C)O)cc1F ZINC000072418654 205347524 /nfs/dbraw/zinc/34/75/24/205347524.db2.gz UBLRUEUQBIMNKU-INIZCTEOSA-N 1 1 383.467 3.808 50 0 GHAAMO CC(C)N1C[C@]2(CCC[N@@H+](Cc3cn(C)nc3-c3ccccc3)C2)CCC1=O ZINC000082091962 205385566 /nfs/dbraw/zinc/38/55/66/205385566.db2.gz YGHZFWXPNUKKJA-HSZRJFAPSA-N 1 1 380.536 3.700 50 0 GHAAMO O=C(C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)N1CCc2ccccc2C1 ZINC000027573999 206014920 /nfs/dbraw/zinc/01/49/20/206014920.db2.gz HTMWFDRRQPIFMC-UHFFFAOYSA-N 1 1 392.499 3.745 50 0 GHAAMO C[C@H](c1ccsc1)[NH+]1CCN([C@H](C)c2ncc(Br)cn2)CC1 ZINC000225521533 206055947 /nfs/dbraw/zinc/05/59/47/206055947.db2.gz LILQXJIADQAFFK-CHWSQXEVSA-N 1 1 381.343 3.740 50 0 GHAAMO O=C(C[N@H+]1CCC[C@H]2CCCC[C@H]21)Nc1ccccc1C(=O)NC1CCCC1 ZINC000230003845 206110348 /nfs/dbraw/zinc/11/03/48/206110348.db2.gz RHUHXIQOBMIQAH-DYESRHJHSA-N 1 1 383.536 3.952 50 0 GHAAMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1)NCc1ccccc1 ZINC000230026073 206110603 /nfs/dbraw/zinc/11/06/03/206110603.db2.gz MIALHLQCIHKELS-OEMFJLHTSA-N 1 1 396.506 3.810 50 0 GHAAMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1)NCc1ccccc1 ZINC000230026073 206110607 /nfs/dbraw/zinc/11/06/07/206110607.db2.gz MIALHLQCIHKELS-OEMFJLHTSA-N 1 1 396.506 3.810 50 0 GHAAMO Cn1ccc(NC(=O)C[N@@H+](CCc2c[nH]c3ccccc23)C2CCCCC2)n1 ZINC000252499411 206139403 /nfs/dbraw/zinc/13/94/03/206139403.db2.gz SAFWEGSANFDIQZ-UHFFFAOYSA-N 1 1 379.508 3.717 50 0 GHAAMO Cc1nn(C(F)F)cc1-c1cccc(C(=O)N(C)C[C@@]2(C)CC[N@@H+](C)C2)c1 ZINC000299760715 206187228 /nfs/dbraw/zinc/18/72/28/206187228.db2.gz WYWIACYTRABGHS-FQEVSTJZSA-N 1 1 376.451 3.667 50 0 GHAAMO C[C@@H]1CCc2c(sc3ncnc(N4CC[NH+](Cc5cccc(O)c5)CC4)c23)C1 ZINC000060349570 136155743 /nfs/dbraw/zinc/15/57/43/136155743.db2.gz ZXXDTQVRCPPUGF-OAHLLOKOSA-N 1 1 394.544 3.844 50 0 GHAAMO Cc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)nc2ccccc12 ZINC000071762610 136166407 /nfs/dbraw/zinc/16/64/07/136166407.db2.gz UICVSJOKFVXGCA-GOSISDBHSA-N 1 1 392.547 3.503 50 0 GHAAMO Cc1ccc(N2CCC3(CCC[N@@H+]3Cc3ccc4ccn(C)c4c3)CC2)nn1 ZINC000072462577 136171018 /nfs/dbraw/zinc/17/10/18/136171018.db2.gz ZTZYUHGJJVUTQD-UHFFFAOYSA-N 1 1 375.520 3.912 50 0 GHAAMO c1cn(Cc2cscn2)c([C@H]2CCCN(c3ncnc4ccsc43)C2)[nH+]1 ZINC000095506297 136180203 /nfs/dbraw/zinc/18/02/03/136180203.db2.gz VLSWMFYRDPJUCE-ZDUSSCGKSA-N 1 1 382.518 3.777 50 0 GHAAMO Cc1ccn(-c2ccccc2NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)n1 ZINC000151143203 136193474 /nfs/dbraw/zinc/19/34/74/136193474.db2.gz PDTAGNRBOUACNF-UHFFFAOYSA-N 1 1 390.491 3.675 50 0 GHAAMO COc1cc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000000729232 522387600 /nfs/dbraw/zinc/38/76/00/522387600.db2.gz CZOZHVITFXBOTC-UHFFFAOYSA-N 1 1 376.884 3.688 50 0 GHAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2CCC(C)(C)CC2)nc1 ZINC000067677151 534915213 /nfs/dbraw/zinc/91/52/13/534915213.db2.gz BYYFVPGDTQFBOA-UHFFFAOYSA-N 1 1 383.540 3.848 50 0 GHAAMO Clc1ccc(-c2cn3c4ccccc4nc3n2CC[NH+]2CCOCC2)cc1 ZINC000019771417 570218271 /nfs/dbraw/zinc/21/82/71/570218271.db2.gz ROMMMXRRLAHWJS-UHFFFAOYSA-N 1 1 380.879 3.942 50 0 GHAAMO OCC[C@@H]1CN(Cc2cc3ccccc3[nH]2)CC[N@H+]1CCCc1ccccc1 ZINC000019792602 570219426 /nfs/dbraw/zinc/21/94/26/570219426.db2.gz CTTNBCOOPWQOII-HSZRJFAPSA-N 1 1 377.532 3.669 50 0 GHAAMO CC1CC[NH+](CC(=O)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)CC1 ZINC000006087128 570240253 /nfs/dbraw/zinc/24/02/53/570240253.db2.gz XTBPVBRMHBUSDD-OAQYLSRUSA-N 1 1 376.928 3.869 50 0 GHAAMO Cc1csc2nc(C[N@@H+](C)CCCOc3ccc(Cl)cc3)cc(=O)n12 ZINC000048367739 570247609 /nfs/dbraw/zinc/24/76/09/570247609.db2.gz SRRXLKYZZNCCHI-UHFFFAOYSA-N 1 1 377.897 3.619 50 0 GHAAMO OCC[C@@H]1CN(Cc2cccc3cccnc32)CC[N@H+]1CCCc1ccccc1 ZINC000020294803 570251539 /nfs/dbraw/zinc/25/15/39/570251539.db2.gz WBGHWBUEJHZAGR-XMMPIXPASA-N 1 1 389.543 3.736 50 0 GHAAMO OCC[C@@H]1C[N@H+](Cc2cccc3cccnc32)CCN1CCCc1ccccc1 ZINC000020294803 570251541 /nfs/dbraw/zinc/25/15/41/570251541.db2.gz WBGHWBUEJHZAGR-XMMPIXPASA-N 1 1 389.543 3.736 50 0 GHAAMO OCC[C@@H]1C[N@@H+](Cc2cccc3cccnc32)CCN1CCCc1ccccc1 ZINC000020294803 570251542 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COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccccc2C)c1 ZINC000016352105 570327660 /nfs/dbraw/zinc/32/76/60/570327660.db2.gz ZBIMATNEKUXMAE-OAQYLSRUSA-N 1 1 382.504 3.808 50 0 GHAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1nc(-c2ccccc2)cs1 ZINC000022801698 570328585 /nfs/dbraw/zinc/32/85/85/570328585.db2.gz FLOLYZSBRQMSEF-UHFFFAOYSA-N 1 1 392.528 3.566 50 0 GHAAMO CC(C)(C)c1ccccc1OCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022841147 570330957 /nfs/dbraw/zinc/33/09/57/570330957.db2.gz QYGDMIGOGNEGFD-UHFFFAOYSA-N 1 1 396.531 3.512 50 0 GHAAMO c1cnn(Cc2ccccc2CN[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c1 ZINC000022926091 570336289 /nfs/dbraw/zinc/33/62/89/570336289.db2.gz OLQLLPFRJYNOOL-DEOSSOPVSA-N 1 1 386.543 3.653 50 0 GHAAMO c1cnn(Cc2ccccc2CN[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c1 ZINC000022926091 570336293 /nfs/dbraw/zinc/33/62/93/570336293.db2.gz OLQLLPFRJYNOOL-DEOSSOPVSA-N 1 1 386.543 3.653 50 0 GHAAMO COc1cccc(C[N@@H+]2CCN(Cc3[nH]c4ccccc4c3C)C[C@@H]2CCO)c1 ZINC000022932739 570337548 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GHAAMO CC1(C)CC(C)(C)N(C(=S)NCCC[NH+]2CCOCC2)Cc2ccccc21 ZINC000013726904 570782252 /nfs/dbraw/zinc/78/22/52/570782252.db2.gz SVDPLTOOPKPHAH-UHFFFAOYSA-N 1 1 389.609 3.545 50 0 GHAAMO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 ZINC000032754415 570797402 /nfs/dbraw/zinc/79/74/02/570797402.db2.gz WQLFBDBVCFWRJR-NRFANRHFSA-N 1 1 377.488 3.663 50 0 GHAAMO Cn1c2ccc(Cl)cc2nc1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000330147564 570826461 /nfs/dbraw/zinc/82/64/61/570826461.db2.gz LWURWAXUOCQXFS-UHFFFAOYSA-N 1 1 384.915 3.534 50 0 GHAAMO C[C@@H]1CN(C(=O)Nc2ccc([S@](C)=O)cc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000170591237 570849885 /nfs/dbraw/zinc/84/98/85/570849885.db2.gz IJCFERMCMGJBOB-HGRMPGJJSA-N 1 1 385.533 3.551 50 0 GHAAMO O=C1CC[N@H+](Cc2cccc(C(F)(F)F)c2)CCN1CCOc1ccccc1 ZINC000014962148 570866799 /nfs/dbraw/zinc/86/67/99/570866799.db2.gz UZVOVWIZTGNSMP-UHFFFAOYSA-N 1 1 392.421 3.819 50 0 GHAAMO O=C1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)CCN1CCOc1ccccc1 ZINC000014962148 570866802 /nfs/dbraw/zinc/86/68/02/570866802.db2.gz UZVOVWIZTGNSMP-UHFFFAOYSA-N 1 1 392.421 3.819 50 0 GHAAMO CCCC[C@H]1C[N@@H+](CCC(=O)N[C@@H](C)Cc2ccccn2)Cc2ccccc2O1 ZINC000014986448 570869597 /nfs/dbraw/zinc/86/95/97/570869597.db2.gz ILDGQHAYDOUUGC-UGKGYDQZSA-N 1 1 395.547 3.972 50 0 GHAAMO Cc1cc(C)c(NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c(C)c1 ZINC000015042427 570873564 /nfs/dbraw/zinc/87/35/64/570873564.db2.gz XFEALQKIGIZPAY-UHFFFAOYSA-N 1 1 395.503 3.607 50 0 GHAAMO O=C([C@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCCC1 ZINC000012578480 570876750 /nfs/dbraw/zinc/87/67/50/570876750.db2.gz PCWMSKBMADUVAS-OFNKIYASSA-N 1 1 392.499 3.958 50 0 GHAAMO COc1ccc2cc(-c3n[nH]cc3C[N@H+]3CCC[C@H](CNC(C)=O)C3)ccc2c1 ZINC000015073180 570877982 /nfs/dbraw/zinc/87/79/82/570877982.db2.gz GJSPLGQEMCOPBZ-QGZVFWFLSA-N 1 1 392.503 3.587 50 0 GHAAMO CC[NH+]1CCN(C(=O)Cc2ccc(N[C@H](C)CSCC(C)C)cc2)CC1 ZINC000097046007 570887617 /nfs/dbraw/zinc/88/76/17/570887617.db2.gz OWQKAPHLVYLHNG-GOSISDBHSA-N 1 1 377.598 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ZINC000585083907 897096408 /nfs/dbraw/zinc/09/64/08/897096408.db2.gz YNLLDFUGSZRZQD-QFIPXVFZSA-N 1 1 399.441 3.750 50 0 GHAAMO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1c(C)nn(C)c1OCC(F)(F)F)CCO2 ZINC000187545165 899620604 /nfs/dbraw/zinc/62/06/04/899620604.db2.gz RRVIUZTUIULXGN-MRXNPFEDSA-N 1 1 399.413 3.682 50 0 GHAAMO Cc1cc2[nH]c(C(=O)Nc3ccc(F)cc3F)c(C[NH+]3CCOCC3)c2s1 ZINC000096363810 914434398 /nfs/dbraw/zinc/43/43/98/914434398.db2.gz BUYZKYUHPMWMFD-UHFFFAOYSA-N 1 1 391.443 3.901 50 0 GHAAMO c1ccc(CC[N@H+]2CCC[C@H](CNCc3cnc(-c4ccccn4)nc3)C2)cc1 ZINC000952976434 904655803 /nfs/dbraw/zinc/65/58/03/904655803.db2.gz ZJFNLUABLWFTQX-OAQYLSRUSA-N 1 1 387.531 3.583 50 0 GHAAMO CCCC(=O)Nc1ccc(NC(=O)[C@@H](c2cccc(C)c2)[NH+](C)C)cc1OC ZINC000952976904 904655950 /nfs/dbraw/zinc/65/59/50/904655950.db2.gz PZRCHEQGHRSNTL-OAQYLSRUSA-N 1 1 383.492 3.984 50 0 GHAAMO C[C@H](c1ccccn1)[N@H+](C)Cc1ccccc1OCC(=O)N1CCC(C)CC1 ZINC000952991842 904665198 /nfs/dbraw/zinc/66/51/98/904665198.db2.gz WGTQJVIVNTXKSM-LJQANCHMSA-N 1 1 381.520 3.912 50 0 GHAAMO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccccc1OCC(=O)N1CCC(C)CC1 ZINC000952991842 904665205 /nfs/dbraw/zinc/66/52/05/904665205.db2.gz WGTQJVIVNTXKSM-LJQANCHMSA-N 1 1 381.520 3.912 50 0 GHAAMO O=C(NCC1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)C1CCOCC1 ZINC000952981190 904666986 /nfs/dbraw/zinc/66/69/86/904666986.db2.gz UPKSMXYRUWFTRA-UHFFFAOYSA-N 1 1 387.911 3.647 50 0 GHAAMO CC(C)n1c2ccc(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)cc2nc1C(F)(F)F ZINC000115341273 910608156 /nfs/dbraw/zinc/60/81/56/910608156.db2.gz LAEGWFKKTPZMCF-ZDUSSCGKSA-N 1 1 394.441 3.850 50 0 GHAAMO Cc1noc(C2CC[NH+](Cc3cc(Cl)ccc3OC[C@H]3CCCO3)CC2)n1 ZINC000091833800 911296390 /nfs/dbraw/zinc/29/63/90/911296390.db2.gz URWUKRKNWXYNNN-GOSISDBHSA-N 1 1 391.899 3.969 50 0 GHAAMO OCc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(F)c2F)C3)o1 ZINC000015076140 919360618 /nfs/dbraw/zinc/36/06/18/919360618.db2.gz ZKTJZYCHNXVNMH-NRFANRHFSA-N 1 1 376.447 3.538 50 0 GHAAMO C[N@@H+](Cc1ccc2c[nH]nc2c1)[C@@H]1CCCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000660124832 930490491 /nfs/dbraw/zinc/49/04/91/930490491.db2.gz KXQKQJJQGJOUDF-OAQYLSRUSA-N 1 1 388.519 3.926 50 0 GHAAMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2cscn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000668877649 930496696 /nfs/dbraw/zinc/49/66/96/930496696.db2.gz STBKYAPYOCLMBM-KBXCAEBGSA-N 1 1 397.466 3.904 50 0 GHAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCn1ccc2ccccc21 ZINC000409414458 231204281 /nfs/dbraw/zinc/20/42/81/231204281.db2.gz RFOVZTASMUIGGH-JTHBVZDNSA-N 1 1 397.563 3.771 50 0 biogenic GHAAMO CCn1cc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccc(OC)cc3)C2)c(C)n1 ZINC000426575097 231242896 /nfs/dbraw/zinc/24/28/96/231242896.db2.gz XISQUZYQYWUZHM-NRFANRHFSA-N 1 1 384.568 3.607 50 0 GHAAMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)cc1OC ZINC000003648965 204017555 /nfs/dbraw/zinc/01/75/55/204017555.db2.gz OWIFIXXMYGXSBE-FQEVSTJZSA-N 1 1 382.504 3.574 50 0 GHAAMO C[NH+]1CCN(C(=O)c2cccc(COc3cc(Cl)ccc3Cl)c2)CC1 ZINC000004199956 204033530 /nfs/dbraw/zinc/03/35/30/204033530.db2.gz QUHHQVGVNSURGF-UHFFFAOYSA-N 1 1 379.287 3.960 50 0 GHAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000004871411 204084838 /nfs/dbraw/zinc/08/48/38/204084838.db2.gz NSBQCKQJQJLXKJ-KBPBESRZSA-N 1 1 387.480 3.555 50 0 GHAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc4c(cc2Cl)OCO4)N3)C1 ZINC000006732679 204197164 /nfs/dbraw/zinc/19/71/64/204197164.db2.gz VUMVLCKGZYNDIB-OAHLLOKOSA-N 1 1 377.853 3.547 50 0 GHAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc4c(cc2Cl)OCO4)N3)C1 ZINC000006732679 204197169 /nfs/dbraw/zinc/19/71/69/204197169.db2.gz VUMVLCKGZYNDIB-OAHLLOKOSA-N 1 1 377.853 3.547 50 0 GHAAMO Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000008735041 204287832 /nfs/dbraw/zinc/28/78/32/204287832.db2.gz PAKJRFZGBFZDCW-JOCHJYFZSA-N 1 1 388.515 3.553 50 0 GHAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)c1cn(C2CCCCCC2)nn1 ZINC000011661215 204348074 /nfs/dbraw/zinc/34/80/74/204348074.db2.gz OXLAACWJAUOVCD-SFHVURJKSA-N 1 1 384.528 3.763 50 0 GHAAMO CN1CCN(C(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000011767740 204352911 /nfs/dbraw/zinc/35/29/11/204352911.db2.gz MYXZFMCCSGUWPV-FQEVSTJZSA-N 1 1 379.548 3.606 50 0 GHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)Cc2cnc(N(C)C)s2)C1 ZINC000011933435 204362608 /nfs/dbraw/zinc/36/26/08/204362608.db2.gz AZGWRKURJRKFBW-IBGZPJMESA-N 1 1 386.609 3.904 50 0 GHAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)cc2)c1 ZINC000012209371 204384259 /nfs/dbraw/zinc/38/42/59/204384259.db2.gz KVFLYWGACJCHPM-QFIPXVFZSA-N 1 1 380.488 3.944 50 0 GHAAMO Cc1n[nH]c(CCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(C)c2)C3)c1C ZINC000012306599 204392489 /nfs/dbraw/zinc/39/24/89/204392489.db2.gz XCFPAXMWBPFMJT-DEOSSOPVSA-N 1 1 394.563 3.782 50 0 GHAAMO Cc1[nH]nc(CCC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)c1C ZINC000012306599 204392494 /nfs/dbraw/zinc/39/24/94/204392494.db2.gz XCFPAXMWBPFMJT-DEOSSOPVSA-N 1 1 394.563 3.782 50 0 GHAAMO Cc1[nH]nc(CCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(C)c2)C3)c1C ZINC000012306599 204392498 /nfs/dbraw/zinc/39/24/98/204392498.db2.gz XCFPAXMWBPFMJT-DEOSSOPVSA-N 1 1 394.563 3.782 50 0 GHAAMO Cn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccccc3)ccc21 ZINC000013726213 204508363 /nfs/dbraw/zinc/50/83/63/204508363.db2.gz QXYISZCBZBPRJP-UHFFFAOYSA-N 1 1 378.476 3.577 50 0 GHAAMO Cc1c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000023043431 204794977 /nfs/dbraw/zinc/79/49/77/204794977.db2.gz BQQWXCCHFYTYOV-INIZCTEOSA-N 1 1 383.492 3.638 50 0 GHAAMO Cc1ccc(C[N@@H+](C[C@H](O)COc2ccccc2C)C[C@@H]2CCCO2)s1 ZINC000036101621 205005051 /nfs/dbraw/zinc/00/50/51/205005051.db2.gz UNZWAHDYXBMIHY-OALUTQOASA-N 1 1 375.534 3.786 50 0 GHAAMO COc1ccc(C[N@@H+](CCC(C)C)C[C@H](O)COc2ccccc2)cc1OC ZINC000036096104 205005443 /nfs/dbraw/zinc/00/54/43/205005443.db2.gz HOHLRVCBOBSHNX-FQEVSTJZSA-N 1 1 387.520 3.992 50 0 GHAAMO COc1cc(C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C2CC2)cc(OC)c1 ZINC000036095124 205006736 /nfs/dbraw/zinc/00/67/36/205006736.db2.gz JYMYOHTUSGNTAV-SFHVURJKSA-N 1 1 391.895 3.762 50 0 GHAAMO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2cnn(C3CCCC3)c2n1 ZINC000079193984 205058287 /nfs/dbraw/zinc/05/82/87/205058287.db2.gz PUIOPTNHALFCFL-LAUBAEHRSA-N 1 1 395.551 3.849 50 0 biogenic GHAAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000048302587 205117954 /nfs/dbraw/zinc/11/79/54/205117954.db2.gz XYJVNGQVWLVCCV-IJEWVQPXSA-N 1 1 390.471 3.731 50 0 GHAAMO CCOc1ccccc1OCCCC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000048325821 205119511 /nfs/dbraw/zinc/11/95/11/205119511.db2.gz QBDDEYSZXQOSJG-HXUWFJFHSA-N 1 1 382.504 3.760 50 0 GHAAMO CCOc1ccccc1OCCCC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000048325821 205119513 /nfs/dbraw/zinc/11/95/13/205119513.db2.gz QBDDEYSZXQOSJG-HXUWFJFHSA-N 1 1 382.504 3.760 50 0 GHAAMO CC(C)c1ccsc1C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000053024836 205135666 /nfs/dbraw/zinc/13/56/66/205135666.db2.gz KDCRFAOFBYZNMR-HXUWFJFHSA-N 1 1 385.577 3.980 50 0 GHAAMO CC(C)c1ccsc1C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000053024836 205135672 /nfs/dbraw/zinc/13/56/72/205135672.db2.gz KDCRFAOFBYZNMR-HXUWFJFHSA-N 1 1 385.577 3.980 50 0 GHAAMO CC(C)c1ccsc1C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000053024836 205135674 /nfs/dbraw/zinc/13/56/74/205135674.db2.gz KDCRFAOFBYZNMR-HXUWFJFHSA-N 1 1 385.577 3.980 50 0 GHAAMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2C)cc1NC(=O)c1ccccc1 ZINC000055211775 205145051 /nfs/dbraw/zinc/14/50/51/205145051.db2.gz VCZVRKAOJOPOLJ-INIZCTEOSA-N 1 1 381.476 3.760 50 0 GHAAMO Cc1oc(C)c(C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000056995182 205153107 /nfs/dbraw/zinc/15/31/07/205153107.db2.gz VZDZBVPWOJMXRA-UHFFFAOYSA-N 1 1 383.536 3.533 50 0 GHAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000057421400 205156973 /nfs/dbraw/zinc/15/69/73/205156973.db2.gz QEBZYWQOUDPXSM-HZPDHXFCSA-N 1 1 387.911 3.751 50 0 GHAAMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)Cc1ccccc1OC(F)(F)F ZINC000058155771 205164911 /nfs/dbraw/zinc/16/49/11/205164911.db2.gz LTMZFMRMGZBBPA-HUUCEWRRSA-N 1 1 387.446 3.847 50 0 GHAAMO O=C(c1ccc2c(c1)NC(=O)CO2)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000058218536 205170540 /nfs/dbraw/zinc/17/05/40/205170540.db2.gz NGMFDFXUAGSUFD-UHFFFAOYSA-N 1 1 384.863 3.766 50 0 GHAAMO O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1C[N@@H+](C1CC1)C1CCCC1 ZINC000058305221 205172413 /nfs/dbraw/zinc/17/24/13/205172413.db2.gz DWRVTUMOTMLCTH-SFHVURJKSA-N 1 1 381.398 3.565 50 0 GHAAMO C[N@H+](Cc1ccccc1)C[C@@H](O)CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000060368084 205181914 /nfs/dbraw/zinc/18/19/14/205181914.db2.gz SELRWDJCXWOIET-HXUWFJFHSA-N 1 1 394.544 3.730 50 0 GHAAMO CN1CCC([N@@H+](C)C[C@@H](Nc2ncnc3ccccc32)c2ccccc2)CC1 ZINC000062580993 205185214 /nfs/dbraw/zinc/18/52/14/205185214.db2.gz NOBJBYYWZBREKZ-JOCHJYFZSA-N 1 1 375.520 3.809 50 0 GHAAMO CN(C[C@@H](Nc1ncnc2ccccc21)c1ccccc1)C1CC[NH+](C)CC1 ZINC000062580993 205185218 /nfs/dbraw/zinc/18/52/18/205185218.db2.gz NOBJBYYWZBREKZ-JOCHJYFZSA-N 1 1 375.520 3.809 50 0 GHAAMO Cc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4ccccc4)CC3)n2)cc1 ZINC000065184136 205216260 /nfs/dbraw/zinc/21/62/60/205216260.db2.gz ZIHZOZPYUNOLPW-UHFFFAOYSA-N 1 1 376.460 3.863 50 0 GHAAMO Cc1nn(C)c(C)c1NC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2ccccn2)c1 ZINC000067642389 205251653 /nfs/dbraw/zinc/25/16/53/205251653.db2.gz SJRMHRJSLPVMIG-MRXNPFEDSA-N 1 1 377.492 3.877 50 0 GHAAMO Cc1nn(C)c(C)c1NC(=O)c1cccc(C[N@H+](C)[C@H](C)c2ccccn2)c1 ZINC000067642389 205251655 /nfs/dbraw/zinc/25/16/55/205251655.db2.gz SJRMHRJSLPVMIG-MRXNPFEDSA-N 1 1 377.492 3.877 50 0 GHAAMO CCc1[nH+]ccn1CC(=O)N1CCC[C@H](c2n[nH]cc2-c2ccc(C)cc2)C1 ZINC000067676644 205255280 /nfs/dbraw/zinc/25/52/80/205255280.db2.gz JTSPMROLINRAGR-SFHVURJKSA-N 1 1 377.492 3.550 50 0 GHAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2CCCCCCC2)nc1 ZINC000067967732 205269798 /nfs/dbraw/zinc/26/97/98/205269798.db2.gz WKWMAWXQNNUAEE-UHFFFAOYSA-N 1 1 383.540 3.992 50 0 GHAAMO CC(C)[C@H]1CN(C(=O)CCCn2ccnc2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071746362 205289630 /nfs/dbraw/zinc/28/96/30/205289630.db2.gz RUOOLQCAPHFTBA-OAQYLSRUSA-N 1 1 386.515 3.562 50 0 GHAAMO Cc1cccn2c(C[N@@H+]3CCC[C@H]3C)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000071760928 205292698 /nfs/dbraw/zinc/29/26/98/205292698.db2.gz FWOWIJSJCLNSMB-LJQANCHMSA-N 1 1 390.531 3.942 50 0 GHAAMO NC(=O)COc1cccc(C[N@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)c1 ZINC000071764467 205294522 /nfs/dbraw/zinc/29/45/22/205294522.db2.gz VBOTYWRBFCDFFE-INIZCTEOSA-N 1 1 388.458 3.674 50 0 GHAAMO O=C(CCCn1ccnc1)N1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000072469986 205354228 /nfs/dbraw/zinc/35/42/28/205354228.db2.gz KNWQXOONRIUOLZ-HSZRJFAPSA-N 1 1 380.536 3.568 50 0 GHAAMO O=C1CC[C@@]2(CCC[N@@H+](Cc3cccc(Cl)n3)C2)CN1Cc1ccccn1 ZINC000072408806 205346953 /nfs/dbraw/zinc/34/69/53/205346953.db2.gz JXLGOUIZPPFRQE-OAQYLSRUSA-N 1 1 384.911 3.535 50 0 GHAAMO O=C1CC[C@@]2(CCC[N@H+](Cc3cccc(Cl)n3)C2)CN1Cc1ccccn1 ZINC000072408806 205346955 /nfs/dbraw/zinc/34/69/55/205346955.db2.gz JXLGOUIZPPFRQE-OAQYLSRUSA-N 1 1 384.911 3.535 50 0 GHAAMO CC(=O)N[C@@H]1CC[N@@H+](Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)C1 ZINC000072421918 205348412 /nfs/dbraw/zinc/34/84/12/205348412.db2.gz GQSBBWNJADUNAE-JOCHJYFZSA-N 1 1 388.515 3.867 50 0 GHAAMO CC[C@H]1CN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)CC[N@H+]1C(C)C ZINC000082083552 205385832 /nfs/dbraw/zinc/38/58/32/205385832.db2.gz XKGDBNJTMLJERZ-FQEVSTJZSA-N 1 1 376.504 3.946 50 0 GHAAMO C[C@@H](CNc1ccccc1)NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000084640165 205397812 /nfs/dbraw/zinc/39/78/12/205397812.db2.gz YDONTRJGHORUBI-ROUUACIJSA-N 1 1 382.508 3.702 50 0 GHAAMO CCc1cc(C[NH+]2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)on1 ZINC000095497177 205469518 /nfs/dbraw/zinc/46/95/18/205469518.db2.gz FXGCOPRBEXKKQS-UHFFFAOYSA-N 1 1 383.492 3.516 50 0 GHAAMO O=C(c1cc(Br)ccc1F)N1CC[NH+](CCc2ccccc2)CC1 ZINC000027252713 206011125 /nfs/dbraw/zinc/01/11/25/206011125.db2.gz AFMAQGFVCAHZSL-UHFFFAOYSA-N 1 1 391.284 3.589 50 0 GHAAMO Cc1ncsc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1cc(C)c(O)c(C)c1 ZINC000225424311 206047901 /nfs/dbraw/zinc/04/79/01/206047901.db2.gz SVVKGQYWFGEASV-ROUUACIJSA-N 1 1 377.529 3.818 50 0 GHAAMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)CC1 ZINC000225567846 206056808 /nfs/dbraw/zinc/05/68/08/206056808.db2.gz CXXLSGCXYDUXHW-FOIQADDNSA-N 1 1 393.487 3.668 50 0 GHAAMO CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000225569643 206056858 /nfs/dbraw/zinc/05/68/58/206056858.db2.gz WOAGHHSXYIIMSR-SFHVURJKSA-N 1 1 378.476 3.711 50 0 GHAAMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)CC1 ZINC000225567876 206057847 /nfs/dbraw/zinc/05/78/47/206057847.db2.gz CXXLSGCXYDUXHW-MGPUTAFESA-N 1 1 393.487 3.668 50 0 GHAAMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(OC)cc2)C1 ZINC000029922717 206072884 /nfs/dbraw/zinc/07/28/84/206072884.db2.gz UZKBUMYMHUHCKK-QGZVFWFLSA-N 1 1 393.487 3.809 50 0 GHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(OC)cc2)C1 ZINC000029922717 206072891 /nfs/dbraw/zinc/07/28/91/206072891.db2.gz UZKBUMYMHUHCKK-QGZVFWFLSA-N 1 1 393.487 3.809 50 0 GHAAMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(F)cc1Br ZINC000097592188 206124806 /nfs/dbraw/zinc/12/48/06/206124806.db2.gz ANJUOHQTDUKVNO-CQSZACIVSA-N 1 1 391.284 3.935 50 0 GHAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(F)cc1Br ZINC000097592188 206124810 /nfs/dbraw/zinc/12/48/10/206124810.db2.gz ANJUOHQTDUKVNO-CQSZACIVSA-N 1 1 391.284 3.935 50 0 GHAAMO COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000229897852 206111000 /nfs/dbraw/zinc/11/10/00/206111000.db2.gz RCAQUYUHBJWHCI-MSYCTHLASA-N 1 1 382.548 3.981 50 0 GHAAMO Cc1ccccc1OCC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000230195721 206111468 /nfs/dbraw/zinc/11/14/68/206111468.db2.gz RLDUTFWFXZAZTK-KKSFZXQISA-N 1 1 390.886 3.976 50 0 GHAAMO COc1ccccc1NC(=O)CC[N@@H+](C)Cc1cnn(-c2cccc(C)c2)c1 ZINC000252487016 206140821 /nfs/dbraw/zinc/14/08/21/206140821.db2.gz HQLJLJAYYYYVAR-UHFFFAOYSA-N 1 1 378.476 3.650 50 0 GHAAMO O=C(NCC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000299784369 206190047 /nfs/dbraw/zinc/19/00/47/206190047.db2.gz HHCCWCWPAVFGGP-BZVKRPRLSA-N 1 1 388.511 3.951 50 0 GHAAMO Cc1c2[nH]cnc2cc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000299780628 206190363 /nfs/dbraw/zinc/19/03/63/206190363.db2.gz AUWUAGRXXFFJFL-GOSISDBHSA-N 1 1 377.492 3.823 50 0 GHAAMO Cc1c2nc[nH]c2cc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000299780628 206190367 /nfs/dbraw/zinc/19/03/67/206190367.db2.gz AUWUAGRXXFFJFL-GOSISDBHSA-N 1 1 377.492 3.823 50 0 GHAAMO Cc1c2nc[nH]c2cc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000299780628 206190371 /nfs/dbraw/zinc/19/03/71/206190371.db2.gz AUWUAGRXXFFJFL-GOSISDBHSA-N 1 1 377.492 3.823 50 0 GHAAMO COc1ccc(C[N@H+]2CC[C@]3(OC)CC[C@H](Oc4ccccn4)C[C@H]23)c(C)c1 ZINC000426510853 533570118 /nfs/dbraw/zinc/57/01/18/533570118.db2.gz PBHKEBLIJULZAA-QNWVGRARSA-N 1 1 382.504 3.990 50 0 GHAAMO c1c(C[NH+]2CCN(c3ncccn3)CC2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000058020211 136154206 /nfs/dbraw/zinc/15/42/06/136154206.db2.gz GDQGEISYVJLYQU-UHFFFAOYSA-N 1 1 396.498 3.652 50 0 GHAAMO O=C(C1=CC[N@@H+](Cc2ccccc2)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000064817952 136157839 /nfs/dbraw/zinc/15/78/39/136157839.db2.gz ZOWJZBHVUUVCRP-UHFFFAOYSA-N 1 1 395.934 3.821 50 0 GHAAMO Cc1ccc(-c2nc(N3CC[NH+](CCO)CC3)ncc2-c2ccccc2C)cc1 ZINC000065451337 136164107 /nfs/dbraw/zinc/16/41/07/136164107.db2.gz PNWAAMVKBCFUJC-UHFFFAOYSA-N 1 1 388.515 3.542 50 0 GHAAMO CCOc1ccc(CN2CCN(c3cc[nH+]c4ccccc43)C[C@@H]2CCO)cc1 ZINC000072424116 136169899 /nfs/dbraw/zinc/16/98/99/136169899.db2.gz LADXQJDNSIPFQP-FQEVSTJZSA-N 1 1 391.515 3.707 50 0 GHAAMO Cc1nnc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)c2ccccc12 ZINC000095497677 136179683 /nfs/dbraw/zinc/17/96/83/136179683.db2.gz HYSPTMXTVFQBCZ-LJQANCHMSA-N 1 1 384.487 3.962 50 0 GHAAMO Cc1cc(N2CCC(NC(=O)Nc3c(C)cc(N(C)C)cc3C)CC2)nc(C)[nH+]1 ZINC000156743461 136195864 /nfs/dbraw/zinc/19/58/64/136195864.db2.gz FEJYNDTUTDDAFX-UHFFFAOYSA-N 1 1 396.539 3.567 50 0 GHAAMO C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000008185982 526174972 /nfs/dbraw/zinc/17/49/72/526174972.db2.gz BZRACGCDWLJXBO-DGCLKSJQSA-N 1 1 389.546 3.561 50 0 GHAAMO C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000008185982 526174973 /nfs/dbraw/zinc/17/49/73/526174973.db2.gz BZRACGCDWLJXBO-DGCLKSJQSA-N 1 1 389.546 3.561 50 0 GHAAMO CC(C)c1ccc(CN2CCC[C@]3(CC[N@@H+](CCc4cn[nH]c4)C3)C2=O)cc1 ZINC000426358301 528092932 /nfs/dbraw/zinc/09/29/32/528092932.db2.gz LAMQGSLNNJNKSY-HSZRJFAPSA-N 1 1 380.536 3.590 50 0 GHAAMO O=C(CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000019892899 570227909 /nfs/dbraw/zinc/22/79/09/570227909.db2.gz CWZLBXXXDNCUHG-UHFFFAOYSA-N 1 1 387.321 3.840 50 0 GHAAMO OCC[C@H]1CN(Cc2c[nH]nc2C2CCCCC2)CC[N@@H+]1Cc1cccs1 ZINC000020119686 570241673 /nfs/dbraw/zinc/24/16/73/570241673.db2.gz AJNZSZVCRZAWSI-IBGZPJMESA-N 1 1 388.581 3.588 50 0 GHAAMO OCC[C@H]1CN(Cc2c[nH]nc2C2CCCCC2)CC[N@H+]1Cc1cccs1 ZINC000020119686 570241678 /nfs/dbraw/zinc/24/16/78/570241678.db2.gz AJNZSZVCRZAWSI-IBGZPJMESA-N 1 1 388.581 3.588 50 0 GHAAMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(C)ccc23)cc1 ZINC000048363594 570245207 /nfs/dbraw/zinc/24/52/07/570245207.db2.gz WXZATYSMIMXQJE-HXUWFJFHSA-N 1 1 392.455 3.713 50 0 GHAAMO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(C)ccc23)cc1 ZINC000048363594 570245209 /nfs/dbraw/zinc/24/52/09/570245209.db2.gz WXZATYSMIMXQJE-HXUWFJFHSA-N 1 1 392.455 3.713 50 0 GHAAMO O=C(/C=C/c1ccc(OCCCF)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020365654 570253541 /nfs/dbraw/zinc/25/35/41/570253541.db2.gz SWRJCXLJNMIGJO-FMIVXFBMSA-N 1 1 382.479 3.783 50 0 GHAAMO CCOc1ccccc1CN1CC[N@@H+](CCCc2ccccc2)C[C@H]1CCO ZINC000104322508 570257231 /nfs/dbraw/zinc/25/72/31/570257231.db2.gz IFIQYWCHJSHUMK-HSZRJFAPSA-N 1 1 382.548 3.587 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000012852127 570266600 /nfs/dbraw/zinc/26/66/00/570266600.db2.gz SPIZUQUKCOMPKG-AWEZNQCLSA-N 1 1 380.492 3.613 50 0 GHAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3cccc4ccccc43)C2)CC1 ZINC000020774560 570279915 /nfs/dbraw/zinc/27/99/15/570279915.db2.gz JODGLUPQQWBXRY-OAQYLSRUSA-N 1 1 381.520 3.578 50 0 GHAAMO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000020910751 570284092 /nfs/dbraw/zinc/28/40/92/570284092.db2.gz NLOGQTSKYAXHGO-GOSISDBHSA-N 1 1 376.460 3.633 50 0 GHAAMO CSc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000012917483 570293742 /nfs/dbraw/zinc/29/37/42/570293742.db2.gz STABJFPXRYHSHA-OAHLLOKOSA-N 1 1 381.505 3.621 50 0 GHAAMO CSc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000012917483 570293745 /nfs/dbraw/zinc/29/37/45/570293745.db2.gz STABJFPXRYHSHA-OAHLLOKOSA-N 1 1 381.505 3.621 50 0 GHAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccco3)CC2)nc1)C1CCCCC1 ZINC000034681965 570300198 /nfs/dbraw/zinc/30/01/98/570300198.db2.gz HGLXJHYKQYAKIY-UHFFFAOYSA-N 1 1 382.508 3.906 50 0 GHAAMO CNC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2cccc(Cn3cccn3)c2)s1 ZINC000023159094 570347344 /nfs/dbraw/zinc/34/73/44/570347344.db2.gz WOXKQDUXDPPKGY-GOSISDBHSA-N 1 1 380.517 3.690 50 0 GHAAMO CCc1ccc2c(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)coc2c1 ZINC000023718278 570369968 /nfs/dbraw/zinc/36/99/68/570369968.db2.gz KABDUEAGKLONJB-UHFFFAOYSA-N 1 1 384.520 3.689 50 0 GHAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(F)c(Cl)c1)c1cc2ccccc2o1 ZINC000575622148 570370393 /nfs/dbraw/zinc/37/03/93/570370393.db2.gz WPEHAOKDQMTNOC-INIZCTEOSA-N 1 1 396.871 3.807 50 0 GHAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000006310185 570372715 /nfs/dbraw/zinc/37/27/15/570372715.db2.gz JGTPWOMBKRVDOD-MRXNPFEDSA-N 1 1 377.282 3.999 50 0 GHAAMO CC(C)c1ccc(-n2cc(C[N@@H+]3CCCn4nc([C@H](C)O)cc4C3)cn2)cc1 ZINC000219980482 570379790 /nfs/dbraw/zinc/37/97/90/570379790.db2.gz MNLCVNQJKJNXMJ-KRWDZBQOSA-N 1 1 379.508 3.651 50 0 GHAAMO CC(C)c1ccc(-n2cc(C[N@H+]3CCCn4nc([C@H](C)O)cc4C3)cn2)cc1 ZINC000219980482 570379793 /nfs/dbraw/zinc/37/97/93/570379793.db2.gz MNLCVNQJKJNXMJ-KRWDZBQOSA-N 1 1 379.508 3.651 50 0 GHAAMO Cc1cc(-c2nnc(C[NH+]3CCC(C(=O)Nc4ccccc4O)CC3)o2)c(C)o1 ZINC000024831585 570394639 /nfs/dbraw/zinc/39/46/39/570394639.db2.gz VGXBHFNFSIDBLK-UHFFFAOYSA-N 1 1 396.447 3.503 50 0 GHAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)CC1 ZINC000035579539 570402139 /nfs/dbraw/zinc/40/21/39/570402139.db2.gz CYGXXZYBUDDHSF-OAQYLSRUSA-N 1 1 391.515 3.863 50 0 GHAAMO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000013019839 570419091 /nfs/dbraw/zinc/41/90/91/570419091.db2.gz FLWIYOHIDOYRNS-OAHLLOKOSA-N 1 1 383.883 3.861 50 0 GHAAMO Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000013019839 570419092 /nfs/dbraw/zinc/41/90/92/570419092.db2.gz FLWIYOHIDOYRNS-OAHLLOKOSA-N 1 1 383.883 3.861 50 0 GHAAMO NC(=O)[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1 ZINC000026221131 570423366 /nfs/dbraw/zinc/42/33/66/570423366.db2.gz KVKZLDCECNRUHI-HSZRJFAPSA-N 1 1 382.467 3.856 50 0 GHAAMO CCc1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000089286344 570439795 /nfs/dbraw/zinc/43/97/95/570439795.db2.gz RRSFVYZDHWHHGE-UHFFFAOYSA-N 1 1 388.458 3.687 50 0 GHAAMO Cn1ccnc1[C@H]([NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000248106139 570439754 /nfs/dbraw/zinc/43/97/54/570439754.db2.gz FYVAFCCWQJBDQY-ACIOBRDBSA-N 1 1 391.515 3.554 50 0 GHAAMO Cn1cccc1[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC000011897733 570444230 /nfs/dbraw/zinc/44/42/30/570444230.db2.gz JODQDYZJPSJKKT-LJQANCHMSA-N 1 1 395.956 3.574 50 0 GHAAMO CC[C@@H]1c2ccsc2CC[N@H+]1C[C@@H](O)COc1ccc(C(C)=O)cc1OC ZINC000030224116 570487093 /nfs/dbraw/zinc/48/70/93/570487093.db2.gz WKIHARWFHLFMAR-SJLPKXTDSA-N 1 1 389.517 3.708 50 0 GHAAMO CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@@H](O)COc1ccc(C(C)=O)cc1OC ZINC000030224116 570487097 /nfs/dbraw/zinc/48/70/97/570487097.db2.gz WKIHARWFHLFMAR-SJLPKXTDSA-N 1 1 389.517 3.708 50 0 GHAAMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@@H]2C)N(CC)C(=O)N[C@H]1c1cccc(C)c1 ZINC000035991450 570505375 /nfs/dbraw/zinc/50/53/75/570505375.db2.gz VAIHYEADOLYZRO-UWJYYQICSA-N 1 1 399.535 3.773 50 0 GHAAMO O=C(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000072306834 570524558 /nfs/dbraw/zinc/52/45/58/570524558.db2.gz GAHRZTDTQJPNIA-HXUWFJFHSA-N 1 1 397.950 3.901 50 0 GHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CC1CCN(C(=O)C2CCCCC2)CC1 ZINC000032974382 570562222 /nfs/dbraw/zinc/56/22/22/570562222.db2.gz SHARFXAYDRTGPR-IBGZPJMESA-N 1 1 391.600 3.576 50 0 GHAAMO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[NH+]1CCCCC1)C[C@@H](C)CC2 ZINC000003345258 570605653 /nfs/dbraw/zinc/60/56/53/570605653.db2.gz YNLGXYAZMOHRJF-UONOGXRCSA-N 1 1 378.538 3.863 50 0 GHAAMO C[N@H+]1CCC[C@@H](C(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)C1 ZINC000012448017 570667378 /nfs/dbraw/zinc/66/73/78/570667378.db2.gz BUHDBFLSQAECLK-OAHLLOKOSA-N 1 1 393.409 3.851 50 0 GHAAMO CN(C(=O)CCc1ccc(F)cc1)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012465185 570671568 /nfs/dbraw/zinc/67/15/68/570671568.db2.gz FCPDNJXZCOATLV-QFIPXVFZSA-N 1 1 380.507 3.849 50 0 GHAAMO COc1c(C)cc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(OCCO)cc3)C2)cc1C ZINC000012478427 570674358 /nfs/dbraw/zinc/67/43/58/570674358.db2.gz HLEFHIHJHOIUPX-HXUWFJFHSA-N 1 1 397.515 3.778 50 0 GHAAMO COCc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3F)C2)o1 ZINC000012571824 570681543 /nfs/dbraw/zinc/68/15/43/570681543.db2.gz TXLUAFDWOZTACH-KRWDZBQOSA-N 1 1 388.483 3.592 50 0 GHAAMO CCOc1ccc(C[N@@H+]2CCc3onc(-c4ccccc4F)c3C2)cc1CO ZINC000012592822 570688264 /nfs/dbraw/zinc/68/82/64/570688264.db2.gz SXTXDHDYWBQNBH-UHFFFAOYSA-N 1 1 382.435 3.930 50 0 GHAAMO CCOc1ccc(C[N@H+]2CCc3onc(-c4ccccc4F)c3C2)cc1CO ZINC000012592822 570688265 /nfs/dbraw/zinc/68/82/65/570688265.db2.gz SXTXDHDYWBQNBH-UHFFFAOYSA-N 1 1 382.435 3.930 50 0 GHAAMO Cc1ccc(-n2cc([C@@H]3C[C@H]4CN(C5CCCC5)C(=O)[C@]45CCC[N@@H+]35)cn2)cc1 ZINC000012597179 570689439 /nfs/dbraw/zinc/68/94/39/570689439.db2.gz RLPOYHNMCNDWMK-APTRMMRNSA-N 1 1 390.531 3.861 50 0 GHAAMO COc1ccc(C(=O)N[C@@H]2CCC[N@H+](C3CCCCCC3)C2)c(OC)c1OC ZINC000012707396 570701139 /nfs/dbraw/zinc/70/11/39/570701139.db2.gz RNEDUEISAMUAKJ-MRXNPFEDSA-N 1 1 390.524 3.629 50 0 GHAAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(OC)c(O)c3)C2)c(OC)c1 ZINC000012717440 570704972 /nfs/dbraw/zinc/70/49/72/570704972.db2.gz MVNDEAGEBQXFFE-MRXNPFEDSA-N 1 1 385.460 3.513 50 0 GHAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(OC)c(O)c3)C2)c(OC)c1 ZINC000012717440 570704976 /nfs/dbraw/zinc/70/49/76/570704976.db2.gz MVNDEAGEBQXFFE-MRXNPFEDSA-N 1 1 385.460 3.513 50 0 GHAAMO CN(C(=O)c1coc2c1C(=O)CCC2)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012718537 570705438 /nfs/dbraw/zinc/70/54/38/570705438.db2.gz DVUZGSOWFSPLCN-SFHVURJKSA-N 1 1 392.499 3.502 50 0 GHAAMO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(CCC(=O)N(C)Cc2ccccc2)CC1 ZINC000012747272 570708552 /nfs/dbraw/zinc/70/85/52/570708552.db2.gz YYKRDHANBAHMSX-QFIPXVFZSA-N 1 1 399.579 3.538 50 0 GHAAMO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1F ZINC000012981767 570736278 /nfs/dbraw/zinc/73/62/78/570736278.db2.gz CVKUCIZRZWMEFI-MRXNPFEDSA-N 1 1 383.467 3.812 50 0 GHAAMO COc1cc(C[N@H+](CC(=O)N(C)Cc2ccco2)C2CC2)ccc1OC(F)F ZINC000012984372 570737191 /nfs/dbraw/zinc/73/71/91/570737191.db2.gz GVDWVLBGPGSMIT-UHFFFAOYSA-N 1 1 394.418 3.513 50 0 GHAAMO COc1cc(C[N@@H+](CC(=O)N(C)Cc2ccco2)C2CC2)ccc1OC(F)F ZINC000012984372 570737195 /nfs/dbraw/zinc/73/71/95/570737195.db2.gz GVDWVLBGPGSMIT-UHFFFAOYSA-N 1 1 394.418 3.513 50 0 GHAAMO C[C@@H](CC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000096795039 570785271 /nfs/dbraw/zinc/78/52/71/570785271.db2.gz HRWLGHWLDGDWNR-NZQKXSOJSA-N 1 1 379.548 3.675 50 0 GHAAMO C[C@@H](CC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000096795039 570785275 /nfs/dbraw/zinc/78/52/75/570785275.db2.gz HRWLGHWLDGDWNR-NZQKXSOJSA-N 1 1 379.548 3.675 50 0 GHAAMO C[C@@H](CC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000096795039 570785278 /nfs/dbraw/zinc/78/52/78/570785278.db2.gz HRWLGHWLDGDWNR-NZQKXSOJSA-N 1 1 379.548 3.675 50 0 GHAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc3c(s2)-c2ccccc2CC3)C1 ZINC000014189866 570827917 /nfs/dbraw/zinc/82/79/17/570827917.db2.gz PWAITEITMKBBOF-GOSISDBHSA-N 1 1 384.545 3.600 50 0 GHAAMO Cc1cccc(OCC[N@@H+](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000012553245 570856621 /nfs/dbraw/zinc/85/66/21/570856621.db2.gz CBJWYKDCYPTZNQ-UHFFFAOYSA-N 1 1 382.382 3.843 50 0 GHAAMO Cc1cccc(OCC[N@H+](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000012553245 570856626 /nfs/dbraw/zinc/85/66/26/570856626.db2.gz CBJWYKDCYPTZNQ-UHFFFAOYSA-N 1 1 382.382 3.843 50 0 GHAAMO COC(=O)Cn1cc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c2ccccc21 ZINC000015073612 570877917 /nfs/dbraw/zinc/87/79/17/570877917.db2.gz LAGZHUNVFSESBM-HXUWFJFHSA-N 1 1 377.488 3.891 50 0 GHAAMO C[N@H+](CC(=O)N(Cc1ccco1)C1=CCCCC1)Cc1ccc2c(c1)OCCO2 ZINC000015305085 570888653 /nfs/dbraw/zinc/88/86/53/570888653.db2.gz XTSCDNFELAAALS-UHFFFAOYSA-N 1 1 396.487 3.969 50 0 GHAAMO C[N@@H+](CC(=O)N(Cc1ccco1)C1=CCCCC1)Cc1ccc2c(c1)OCCO2 ZINC000015305085 570888656 /nfs/dbraw/zinc/88/86/56/570888656.db2.gz XTSCDNFELAAALS-UHFFFAOYSA-N 1 1 396.487 3.969 50 0 GHAAMO O=C(Nc1ccccc1Br)N1CC[NH+](CCc2ccccc2)CC1 ZINC000013746532 570900929 /nfs/dbraw/zinc/90/09/29/570900929.db2.gz VFUSVQYZTJRHIN-UHFFFAOYSA-N 1 1 388.309 3.841 50 0 GHAAMO CCOc1ccc(Cl)cc1CN(C)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000534639278 570912664 /nfs/dbraw/zinc/91/26/64/570912664.db2.gz XZELDQNOGGQPAP-MRXNPFEDSA-N 1 1 379.888 3.776 50 0 GHAAMO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803367 570917993 /nfs/dbraw/zinc/91/79/93/570917993.db2.gz GLCKDGRVVUHGKI-OXQOHEQNSA-N 1 1 385.533 3.749 50 0 GHAAMO CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@@H]32)C1 ZINC000105369628 570922827 /nfs/dbraw/zinc/92/28/27/570922827.db2.gz SBBCQMGYCCNVDO-IDYNPRKMSA-N 1 1 389.536 3.720 50 0 biogenic GHAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(F)cc2)c1 ZINC000016352119 570923079 /nfs/dbraw/zinc/92/30/79/570923079.db2.gz ZZKHXHCDNKBOGX-FQEVSTJZSA-N 1 1 386.467 3.638 50 0 GHAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(F)cc2)c1 ZINC000016352119 570923083 /nfs/dbraw/zinc/92/30/83/570923083.db2.gz ZZKHXHCDNKBOGX-FQEVSTJZSA-N 1 1 386.467 3.638 50 0 GHAAMO Cc1cccc(C(=O)N2CCN(c3nc(Nc4ccccc4)cc(C)[nH+]3)CC2)c1 ZINC000017122586 570928227 /nfs/dbraw/zinc/92/82/27/570928227.db2.gz USGBQESVWJKOBL-UHFFFAOYSA-N 1 1 387.487 3.799 50 0 GHAAMO COc1ccc(CCNC(=O)[C@H](C)[N@H+]2CCC[C@H]2c2ccsc2)cc1OC ZINC000252452681 570958827 /nfs/dbraw/zinc/95/88/27/570958827.db2.gz VWRYVJUQGLGPGK-YJBOKZPZSA-N 1 1 388.533 3.650 50 0 GHAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCOc2ccccc21 ZINC000106576148 570965643 /nfs/dbraw/zinc/96/56/43/570965643.db2.gz YPKZXKSDFJXRBE-FPOVZHCZSA-N 1 1 379.504 3.722 50 0 GHAAMO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000012750378 571002830 /nfs/dbraw/zinc/00/28/30/571002830.db2.gz UEHPGFHPDGWLBZ-KRWDZBQOSA-N 1 1 395.503 3.518 50 0 GHAAMO Cc1c2cccc(F)c2oc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000012751769 571004403 /nfs/dbraw/zinc/00/44/03/571004403.db2.gz LSQSKNWPETXLIS-UHFFFAOYSA-N 1 1 382.435 3.643 50 0 GHAAMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012762528 571013378 /nfs/dbraw/zinc/01/33/78/571013378.db2.gz JXHACHHWWUVFLH-UYAOXDASSA-N 1 1 379.504 3.557 50 0 GHAAMO C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000012765792 571015710 /nfs/dbraw/zinc/01/57/10/571015710.db2.gz FAUXXSKHJGLCSI-AWEZNQCLSA-N 1 1 383.330 3.597 50 0 GHAAMO C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000012765792 571015711 /nfs/dbraw/zinc/01/57/11/571015711.db2.gz FAUXXSKHJGLCSI-AWEZNQCLSA-N 1 1 383.330 3.597 50 0 GHAAMO C[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)C(=O)c3ccccc3)CC2)C1 ZINC000091830315 571032272 /nfs/dbraw/zinc/03/22/72/571032272.db2.gz NWDQALJJJAJWHL-OAQYLSRUSA-N 1 1 376.500 3.597 50 0 GHAAMO O=C1[C@@H](c2ccccc2)CC2(CC[NH+](Cc3nccs3)CC2)CN1C1CC1 ZINC000092078066 571043951 /nfs/dbraw/zinc/04/39/51/571043951.db2.gz SWYJVTKPUJUINU-LJQANCHMSA-N 1 1 381.545 3.904 50 0 GHAAMO COCCN1CCC[C@]2(CCN(c3cc(C)c4ccc(C)c(C)c4[nH+]3)C2)C1=O ZINC000095366825 571058911 /nfs/dbraw/zinc/05/89/11/571058911.db2.gz NWLOOWRRSSJKQC-HSZRJFAPSA-N 1 1 381.520 3.625 50 0 GHAAMO CC(=O)c1cccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)c1 ZINC000095380557 571067221 /nfs/dbraw/zinc/06/72/21/571067221.db2.gz LPDHZBYKQDUWSF-PGRDOPGGSA-N 1 1 380.463 3.765 50 0 GHAAMO CC(=O)c1cccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C3)c1 ZINC000095380557 571067224 /nfs/dbraw/zinc/06/72/24/571067224.db2.gz LPDHZBYKQDUWSF-PGRDOPGGSA-N 1 1 380.463 3.765 50 0 GHAAMO Cc1cccc(C[N@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000095382398 571068645 /nfs/dbraw/zinc/06/86/45/571068645.db2.gz SPLVNDLLWODQPU-TUACAJSNSA-N 1 1 376.500 3.786 50 0 GHAAMO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)n(C)c1 ZINC000095531589 571093191 /nfs/dbraw/zinc/09/31/91/571093191.db2.gz UYFJAYSMTXEQEA-KRWDZBQOSA-N 1 1 385.483 3.998 50 0 GHAAMO CC(=O)c1cc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)n(C)c1 ZINC000095531589 571093194 /nfs/dbraw/zinc/09/31/94/571093194.db2.gz UYFJAYSMTXEQEA-KRWDZBQOSA-N 1 1 385.483 3.998 50 0 GHAAMO CN1CCC([N@H+]2CCC[C@@H](NC(=O)c3ccccc3-c3ccc(F)cc3)C2)CC1 ZINC000023337996 836647139 /nfs/dbraw/zinc/64/71/39/836647139.db2.gz IGHJZPQRDMXRGY-HXUWFJFHSA-N 1 1 395.522 3.781 50 0 GHAAMO C[NH+]1CCC(N2CCC[C@@H](NC(=O)c3ccccc3-c3ccc(F)cc3)C2)CC1 ZINC000023337996 836647143 /nfs/dbraw/zinc/64/71/43/836647143.db2.gz IGHJZPQRDMXRGY-HXUWFJFHSA-N 1 1 395.522 3.781 50 0 GHAAMO C[N@@H+](Cc1ccc(Cl)c(F)c1)[C@@H]1CCc2nnc(C3CCOCC3)n2CC1 ZINC000257176235 838709240 /nfs/dbraw/zinc/70/92/40/838709240.db2.gz SEWCCMNNCBCDLU-MRXNPFEDSA-N 1 1 392.906 3.802 50 0 GHAAMO CO[C@@H]1C(=O)N(c2cccc(F)c2)C12CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC000257184883 839147875 /nfs/dbraw/zinc/14/78/75/839147875.db2.gz VNONOOBPFCVMKL-LJQANCHMSA-N 1 1 390.405 3.500 50 0 GHAAMO COCC[N@H+]1CCC[C@]2(CCN(CC3=Cc4cc(Cl)ccc4OC3)C2)C1 ZINC000020209570 839906928 /nfs/dbraw/zinc/90/69/28/839906928.db2.gz XIRSQSYYWBTXCA-NRFANRHFSA-N 1 1 376.928 3.550 50 0 GHAAMO COc1ccccc1-c1nnc(C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2)o1 ZINC000078969227 839937290 /nfs/dbraw/zinc/93/72/90/839937290.db2.gz DOIRDAAUBBXRMG-GOSISDBHSA-N 1 1 378.476 3.846 50 0 GHAAMO CC[C@H]1CN(C(=O)Nc2ccccc2N2CCCCCC2)CC[N@H+]1CCOC ZINC000117440221 841251405 /nfs/dbraw/zinc/25/14/05/841251405.db2.gz CJFQMWGZEWAIEL-IBGZPJMESA-N 1 1 388.556 3.642 50 0 GHAAMO CC(C)C[N@H+]1CC[C@@H](C(=O)NCc2cccc(COCc3ccccc3)c2)C1 ZINC000079107658 848882626 /nfs/dbraw/zinc/88/26/26/848882626.db2.gz JQHOBCZAGWBTKR-HSZRJFAPSA-N 1 1 380.532 3.998 50 0 GHAAMO CCn1cc(C[N@@H+]2CCCN(C(=O)C3(c4ccccc4C)CCCC3)CC2)cn1 ZINC000811899175 851131172 /nfs/dbraw/zinc/13/11/72/851131172.db2.gz ZHJYOVIKYYQMAN-UHFFFAOYSA-N 1 1 394.563 3.758 50 0 GHAAMO CCn1cc(C[N@H+]2CCCN(C(=O)C3(c4ccccc4C)CCCC3)CC2)cn1 ZINC000811899175 851131183 /nfs/dbraw/zinc/13/11/83/851131183.db2.gz ZHJYOVIKYYQMAN-UHFFFAOYSA-N 1 1 394.563 3.758 50 0 GHAAMO Cn1cc(CC[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)OCC23CCCC3)nn1 ZINC000625460568 862536413 /nfs/dbraw/zinc/53/64/13/862536413.db2.gz PXSQGCKBFVZVKM-SFHVURJKSA-N 1 1 394.441 3.763 50 0 GHAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](CCO)Cc4ccccc4)[C@H]3C=C12 ZINC000004045492 862737427 /nfs/dbraw/zinc/73/74/27/862737427.db2.gz OZOHJRMQAJVXAU-ZWADJFLLSA-N 1 1 383.532 3.795 50 0 biogenic GHAAMO Cc1[nH]c2ccc(Br)cc2c(=O)c1C[N@H+](C)C1CCN(C)CC1 ZINC000008714169 856325695 /nfs/dbraw/zinc/32/56/95/856325695.db2.gz CAYRNZFPLBIQLS-UHFFFAOYSA-N 1 1 378.314 3.537 50 0 GHAAMO Cc1[nH]c2ccc(Br)cc2c(=O)c1CN(C)C1CC[NH+](C)CC1 ZINC000008714169 856325705 /nfs/dbraw/zinc/32/57/05/856325705.db2.gz CAYRNZFPLBIQLS-UHFFFAOYSA-N 1 1 378.314 3.537 50 0 GHAAMO C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000245380864 856811329 /nfs/dbraw/zinc/81/13/29/856811329.db2.gz QJBYDMMGFHPXAQ-OHQAAIJDSA-N 1 1 384.973 3.907 50 0 GHAAMO CCOC(=O)[C@]1(Cc2ccccc2F)CCC[N@@H+](Cc2cnn(C(C)C)c2)C1 ZINC000012387559 859264216 /nfs/dbraw/zinc/26/42/16/859264216.db2.gz WKQNAMWQLZFFSL-QFIPXVFZSA-N 1 1 387.499 3.991 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@H](NC(=O)Cc3ccc(SC)cc3)C2)c1 ZINC000012588530 859445622 /nfs/dbraw/zinc/44/56/22/859445622.db2.gz QAJQQYFZGYXKCX-IBGZPJMESA-N 1 1 384.545 3.740 50 0 GHAAMO CC[C@H]1C[N@@H+](C)CCCN1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000328595944 860184629 /nfs/dbraw/zinc/18/46/29/860184629.db2.gz LCNJJOVLROSETL-SFHVURJKSA-N 1 1 397.567 3.524 50 0 GHAAMO CCC[N@@H+](C)CC1(O)CCC2(CC[NH+](Cc3ccc(O)c(F)c3)CC2)CC1 ZINC000257195562 860305458 /nfs/dbraw/zinc/30/54/58/860305458.db2.gz WIUJARMTRZESNV-UHFFFAOYSA-N 1 1 378.532 3.760 50 0 GHAAMO CCC[N@H+](C)CC1(O)CCC2(CC[NH+](Cc3ccc([O-])c(F)c3)CC2)CC1 ZINC000257195562 860305466 /nfs/dbraw/zinc/30/54/66/860305466.db2.gz WIUJARMTRZESNV-UHFFFAOYSA-N 1 1 378.532 3.760 50 0 GHAAMO CCC[N@@H+](C)CC1(O)CCC2(CC[NH+](Cc3ccc([O-])c(F)c3)CC2)CC1 ZINC000257195562 860305475 /nfs/dbraw/zinc/30/54/75/860305475.db2.gz WIUJARMTRZESNV-UHFFFAOYSA-N 1 1 378.532 3.760 50 0 GHAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=O)c2c(F)cccc2F)CC1 ZINC000020288141 860539819 /nfs/dbraw/zinc/53/98/19/860539819.db2.gz JIVMIQYHTKQFAV-LIRRHRJNSA-N 1 1 393.503 3.523 50 0 GHAAMO O[C@@H](CSc1ccc(Cl)cc1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000020385039 860560215 /nfs/dbraw/zinc/56/02/15/860560215.db2.gz OWOREENSKBUPPL-MRXNPFEDSA-N 1 1 380.916 3.754 50 0 GHAAMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000095964369 860722932 /nfs/dbraw/zinc/72/29/32/860722932.db2.gz GADUYZMUQCSPRX-LLVKDONJSA-N 1 1 392.385 3.814 50 0 GHAAMO COc1c(C)cnc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1C ZINC000095993122 860736882 /nfs/dbraw/zinc/73/68/82/860736882.db2.gz SIHHBDQHZYHMCR-GOSISDBHSA-N 1 1 377.492 3.872 50 0 GHAAMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1occc1-c1ccccc1 ZINC000096007029 860745021 /nfs/dbraw/zinc/74/50/21/860745021.db2.gz SNZKIHUFUIKISS-OAQYLSRUSA-N 1 1 390.483 3.833 50 0 GHAAMO Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000096343560 860893046 /nfs/dbraw/zinc/89/30/46/860893046.db2.gz DTIIDUXSMLUFKY-VQIMIIECSA-N 1 1 386.927 3.735 50 0 GHAAMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)Cn4cccn4)C3)C2)cc1 ZINC000012386000 861088868 /nfs/dbraw/zinc/08/88/68/861088868.db2.gz PAVWRKGQSKXJSC-HSZRJFAPSA-N 1 1 380.536 3.521 50 0 GHAAMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)Cn4cccn4)C3)C2)cc1 ZINC000012386001 861089514 /nfs/dbraw/zinc/08/95/14/861089514.db2.gz PAVWRKGQSKXJSC-QHCPKHFHSA-N 1 1 380.536 3.521 50 0 GHAAMO Cc1ccccc1-n1cc(CN(C)CC2([NH+]3CCOCC3)CCCCC2)cn1 ZINC000823683723 863158783 /nfs/dbraw/zinc/15/87/83/863158783.db2.gz CWOFIQVODAOXKH-UHFFFAOYSA-N 1 1 382.552 3.648 50 0 GHAAMO O=C(C[NH+]1CCCCC1)Nc1ccc(NC(=O)[C@H]2CCc3ccccc32)cc1 ZINC000828052200 865171498 /nfs/dbraw/zinc/17/14/98/865171498.db2.gz KMUBGWBHUAFPGM-NRFANRHFSA-N 1 1 377.488 3.780 50 0 GHAAMO O=C(c1ccccc1)N1CCC2(CC1)C[N@H+]([C@H]1CCc3ccccc3C1)CCO2 ZINC000828177840 865220858 /nfs/dbraw/zinc/22/08/58/865220858.db2.gz SFIGQJODYFJHLM-QHCPKHFHSA-N 1 1 390.527 3.551 50 0 GHAAMO CCN1C(=O)CC[N@@H+](Cc2cn(C(C)C)c3ccccc23)CC12CCOCC2 ZINC000581801946 870001467 /nfs/dbraw/zinc/00/14/67/870001467.db2.gz WSSPAXJCFYRNET-UHFFFAOYSA-N 1 1 383.536 3.826 50 0 GHAAMO CCn1ncc(C[N@H+]2CC[C@H](Cc3ncc(C)n3Cc3ccccc3)C2)c1C ZINC000581805803 870026865 /nfs/dbraw/zinc/02/68/65/870026865.db2.gz GDIOANCYENQTSC-OAQYLSRUSA-N 1 1 377.536 3.829 50 0 GHAAMO CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)c1 ZINC000585080168 897023402 /nfs/dbraw/zinc/02/34/02/897023402.db2.gz AMXRWABTMSZPIF-DEOSSOPVSA-N 1 1 380.532 3.599 50 0 GHAAMO Cc1ccc(-c2ccnc(N[C@@H]3CCC[N@@H+](Cc4cccc(O)c4)C3)n2)c(C)n1 ZINC000952860718 904631436 /nfs/dbraw/zinc/63/14/36/904631436.db2.gz SUYLRFSOQJRXOR-LJQANCHMSA-N 1 1 389.503 3.938 50 0 GHAAMO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000104731486 904666208 /nfs/dbraw/zinc/66/62/08/904666208.db2.gz VSMBAWUIBLULNL-QGZVFWFLSA-N 1 1 376.504 3.581 50 0 GHAAMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000190543678 906119980 /nfs/dbraw/zinc/11/99/80/906119980.db2.gz SBROSIOHWFVNIJ-QGZVFWFLSA-N 1 1 396.560 3.846 50 0 GHAAMO Cc1ccc(NC(=O)C2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)nc1 ZINC000108360549 907186683 /nfs/dbraw/zinc/18/66/83/907186683.db2.gz ZHJYMLZKJRNVNI-UHFFFAOYSA-N 1 1 382.489 3.957 50 0 GHAAMO CCOC(=O)/C=C\c1ccc(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000254294700 916468460 /nfs/dbraw/zinc/46/84/60/916468460.db2.gz QQZZLYRTFFZSCA-SDQNTSPESA-N 1 1 378.472 3.821 50 0 GHAAMO CCOC(=O)C1(C[C@@H]2CCCCO2)CC[NH+](Cc2ccc(OC)cc2F)CC1 ZINC000013595731 919326025 /nfs/dbraw/zinc/32/60/25/919326025.db2.gz QMOMYIRVYSPAKB-IBGZPJMESA-N 1 1 393.499 3.939 50 0 GHAAMO COc1cc([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCC[N@H+]24)cc(Cl)c1O ZINC000014950690 919346828 /nfs/dbraw/zinc/34/68/28/919346828.db2.gz RKENAYCGBAQWRX-LFRPXUGBSA-N 1 1 390.911 3.735 50 0 GHAAMO COc1cc([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCC[N@@H+]24)cc(Cl)c1O ZINC000014950690 919346849 /nfs/dbraw/zinc/34/68/49/919346849.db2.gz RKENAYCGBAQWRX-LFRPXUGBSA-N 1 1 390.911 3.735 50 0 GHAAMO CCCn1ncc([C@@H]2C[C@H]3CN(c4cccc(OC)c4)C(=O)[C@]34CCC[N@@H+]24)c1C ZINC000014955660 919348441 /nfs/dbraw/zinc/34/84/41/919348441.db2.gz WXWFGDKVHNJMGV-HYVJGQCMSA-N 1 1 394.519 3.553 50 0 GHAAMO COc1ccc(C[N@@H+](C)C(C)C)cc1O[C@H](C)CNC(=O)c1ccc(F)cc1 ZINC000014991047 919350856 /nfs/dbraw/zinc/35/08/56/919350856.db2.gz CLWOGVLYEOEBDX-MRXNPFEDSA-N 1 1 388.483 3.872 50 0 GHAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccc3c2OCO3)C1)NCc1ccccc1F ZINC000015065226 919358273 /nfs/dbraw/zinc/35/82/73/919358273.db2.gz QYYRGRLKTBSSGK-KRWDZBQOSA-N 1 1 398.478 3.863 50 0 GHAAMO CCNC(=O)[C@H]1CC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)C1 ZINC000067673159 926359567 /nfs/dbraw/zinc/35/95/67/926359567.db2.gz RKOHEDOLVJVMJN-AWEZNQCLSA-N 1 1 381.398 3.627 50 0 GHAAMO COc1ncc(Br)cc1C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000660180277 930490789 /nfs/dbraw/zinc/49/07/89/930490789.db2.gz XVLHKSXDYPTQTG-NSHDSACASA-N 1 1 378.270 3.662 50 0 GHAAMO COCC1(C2CCC2)CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000664208876 930492366 /nfs/dbraw/zinc/49/23/66/930492366.db2.gz ANACNORFYICFNZ-LPHOPBHVSA-N 1 1 391.581 3.589 50 0 GHAAMO Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C(C)C)CC23CCCCC3)c(C)c1 ZINC000409420751 1031405049 /nfs/dbraw/zinc/40/50/49/1031405049.db2.gz PVXXYHAQCHTAMV-IBGZPJMESA-N 1 1 378.582 3.872 50 0 GHAAMO Cc1cc(C)c(-c2ccc(C(=O)NCC[N@H+]3CCC[C@H](CO)C3)cc2)cc1C ZINC000426409429 231216834 /nfs/dbraw/zinc/21/68/34/231216834.db2.gz PHEXSRVYKHRENY-FQEVSTJZSA-N 1 1 380.532 3.713 50 0 GHAAMO CCC[NH+]1CCN(C(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)CC1 ZINC000005132244 204113286 /nfs/dbraw/zinc/11/32/86/204113286.db2.gz UMEYPFFSWLJCJY-UHFFFAOYSA-N 1 1 381.501 3.571 50 0 GHAAMO CCCC[N@@H+](CC)CCNC(=O)c1ccc(C[S@](=O)c2ccccc2C)o1 ZINC000006895401 204221194 /nfs/dbraw/zinc/22/11/94/204221194.db2.gz SISKGHOXVDGTLG-HHHXNRCGSA-N 1 1 390.549 3.748 50 0 GHAAMO CC[N@H+](Cc1ccc2c(c1)OCCO2)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000008188157 204265248 /nfs/dbraw/zinc/26/52/48/204265248.db2.gz JEHCCWYNWXBJMQ-IFMALSPDSA-N 1 1 397.515 3.735 50 0 GHAAMO Cc1csc2nc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCCO4)cc(=O)n12 ZINC000008271361 204268044 /nfs/dbraw/zinc/26/80/44/204268044.db2.gz XFQRZVQTYBNJCW-QGZVFWFLSA-N 1 1 397.500 3.563 50 0 GHAAMO Cc1csc2nc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCCO4)cc(=O)n12 ZINC000008271361 204268046 /nfs/dbraw/zinc/26/80/46/204268046.db2.gz XFQRZVQTYBNJCW-QGZVFWFLSA-N 1 1 397.500 3.563 50 0 GHAAMO O=C(c1n[nH]c2c1CCCC2)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000011664728 204349340 /nfs/dbraw/zinc/34/93/40/204349340.db2.gz BWVMZZPYXBQIDQ-HSZRJFAPSA-N 1 1 396.510 3.556 50 0 GHAAMO Cc1ccc2c(CC(=O)N[C@H]3CCC[N@H+](C4CCCCCC4)C3)cc(=O)oc2c1 ZINC000011818204 204354510 /nfs/dbraw/zinc/35/45/10/204354510.db2.gz NDGOOLZOPYHGBL-IBGZPJMESA-N 1 1 396.531 3.947 50 0 GHAAMO O=C(NC1CCCC1)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000011843726 204358099 /nfs/dbraw/zinc/35/80/99/204358099.db2.gz HZKCPGCEXYAUQC-KRWDZBQOSA-N 1 1 396.535 3.567 50 0 GHAAMO O=C(c1ccc2oc(CCc3ccccc3)nc2c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000011933486 204362019 /nfs/dbraw/zinc/36/20/19/204362019.db2.gz ATFLVFOXHJUHPT-LJQANCHMSA-N 1 1 375.472 3.533 50 0 GHAAMO C[N@@H+](CCc1ccccn1)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000011936947 204364321 /nfs/dbraw/zinc/36/43/21/204364321.db2.gz TWCJNFXXLZCQPR-LJQANCHMSA-N 1 1 391.437 3.880 50 0 GHAAMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CCC(=O)c2ccc(F)cc2)C1 ZINC000012314767 204396277 /nfs/dbraw/zinc/39/62/77/204396277.db2.gz HSPMUUOMYIOBSV-NRFANRHFSA-N 1 1 382.479 3.912 50 0 GHAAMO CN(Cc1cccc(Cl)c1)C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012326031 204397222 /nfs/dbraw/zinc/39/72/22/204397222.db2.gz DOOZXJFWZXQHOU-SFHVURJKSA-N 1 1 399.922 3.649 50 0 GHAAMO CCc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000012326269 204397829 /nfs/dbraw/zinc/39/78/29/204397829.db2.gz PVXYZXNIZIFISZ-OAQYLSRUSA-N 1 1 393.531 3.558 50 0 GHAAMO COc1ccc(/C=C/CN2CC[N@@H+](Cc3ccc(C)cc3)[C@@H](CCO)C2)cc1 ZINC000020207951 204706732 /nfs/dbraw/zinc/70/67/32/204706732.db2.gz LAISZQDYIOSECY-CRTIWDKESA-N 1 1 380.532 3.586 50 0 GHAAMO Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COC(C)(C)C)cc1 ZINC000036101935 205004961 /nfs/dbraw/zinc/00/49/61/205004961.db2.gz RKSGESVVCNFZLH-HXUWFJFHSA-N 1 1 385.504 3.902 50 0 GHAAMO COc1ccc(C[N@@H+](CCC(C)C)C[C@H](O)COCc2ccco2)cc1OC ZINC000036096115 205005817 /nfs/dbraw/zinc/00/58/17/205005817.db2.gz AVZMPSJCJPQFKX-IBGZPJMESA-N 1 1 391.508 3.723 50 0 GHAAMO COc1ccc([C@@H]2CC(c3cccc(F)c3)=NN2C(=O)C[N@@H+](C)C(C)C)cc1 ZINC000036345185 205011528 /nfs/dbraw/zinc/01/15/28/205011528.db2.gz DTRKMUSQDMPYAK-NRFANRHFSA-N 1 1 383.467 3.852 50 0 GHAAMO Cc1cc(F)ccc1N1CCC(N2CC[N@H+](CCC(C)C)[C@H](CCO)C2)CC1 ZINC000038149272 205035179 /nfs/dbraw/zinc/03/51/79/205035179.db2.gz SMFDUNBACDAAQN-JOCHJYFZSA-N 1 1 391.575 3.518 50 0 GHAAMO Cc1cc(F)ccc1N1CCC([N@@H+]2CCN(CCC(C)C)[C@H](CCO)C2)CC1 ZINC000038149272 205035181 /nfs/dbraw/zinc/03/51/81/205035181.db2.gz SMFDUNBACDAAQN-JOCHJYFZSA-N 1 1 391.575 3.518 50 0 GHAAMO Cc1cc(F)ccc1N1CCC([N@H+]2CCN(CCC(C)C)[C@H](CCO)C2)CC1 ZINC000038149272 205035183 /nfs/dbraw/zinc/03/51/83/205035183.db2.gz SMFDUNBACDAAQN-JOCHJYFZSA-N 1 1 391.575 3.518 50 0 GHAAMO Cc1cc(C)n(-c2cccc(CN3CC[N@H+](C4CCCCC4)[C@H](CCO)C3)c2)n1 ZINC000039455194 205042652 /nfs/dbraw/zinc/04/26/52/205042652.db2.gz MIYIKWBDBCZGET-XMMPIXPASA-N 1 1 396.579 3.690 50 0 GHAAMO CC(C)c1cc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)n(-c2ccccc2)n1 ZINC000079192727 205057779 /nfs/dbraw/zinc/05/77/79/205057779.db2.gz WNQHTYTWVLIATJ-GHTZIAJQSA-N 1 1 380.536 3.990 50 0 biogenic GHAAMO COc1ccccc1-c1ccccc1C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000048264502 205116551 /nfs/dbraw/zinc/11/65/51/205116551.db2.gz QMXQKGIJQDVIAU-LJQANCHMSA-N 1 1 394.515 3.689 50 0 GHAAMO O=C(NC1CC1)[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000057568194 205158984 /nfs/dbraw/zinc/15/89/84/205158984.db2.gz QEHOJHMFOMPZHD-KRWDZBQOSA-N 1 1 382.357 3.834 50 0 GHAAMO Cc1cc(C)c(C[N@H+](Cc2ccccn2)C[C@H]2CCCO2)cc1Cn1cncn1 ZINC000055154272 205142890 /nfs/dbraw/zinc/14/28/90/205142890.db2.gz ARQQBZDBBXZZFC-HSZRJFAPSA-N 1 1 391.519 3.519 50 0 GHAAMO CSc1ncc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3C)C2)cn1 ZINC000055182916 205146312 /nfs/dbraw/zinc/14/63/12/205146312.db2.gz AGIZCEKCPYLEDS-IBGZPJMESA-N 1 1 384.593 3.893 50 0 GHAAMO O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000057679773 205161748 /nfs/dbraw/zinc/16/17/48/205161748.db2.gz FRSBTWHRLNRZFK-UHFFFAOYSA-N 1 1 394.906 3.731 50 0 GHAAMO Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)[NH+]1CCC2(CC1)OCCO2 ZINC000058012543 205162691 /nfs/dbraw/zinc/16/26/91/205162691.db2.gz CETAHUPCWGEHBF-NRFANRHFSA-N 1 1 380.488 3.822 50 0 GHAAMO COC(=O)c1ccc(NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)nn1 ZINC000058015455 205163440 /nfs/dbraw/zinc/16/34/40/205163440.db2.gz JRGYSOJZBWOGFL-GOSISDBHSA-N 1 1 394.500 3.536 50 0 GHAAMO CCOc1ccc(/C=C2/SC(=O)N(C[NH+]3CCCC3)C2=O)cc1OCC ZINC000059442755 205178622 /nfs/dbraw/zinc/17/86/22/205178622.db2.gz FUYUTAJQSHHBDB-SFQUDFHCSA-N 1 1 376.478 3.574 50 0 GHAAMO Cc1c2cc(C)ccc2oc1-c1noc(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)n1 ZINC000065010242 205205561 /nfs/dbraw/zinc/20/55/61/205205561.db2.gz XZEQETKYSJRJNF-HNNXBMFYSA-N 1 1 396.491 3.951 50 0 GHAAMO CCc1cccc(NC(=O)C[NH+]2CCC(c3nc(-c4ccncc4)no3)CC2)c1 ZINC000065184197 205215653 /nfs/dbraw/zinc/21/56/53/205215653.db2.gz KDDZKOVVAOWCDA-UHFFFAOYSA-N 1 1 391.475 3.512 50 0 GHAAMO Cc1ccccc1-c1noc(C2CC[NH+](CC(=O)Nc3ccccc3)CC2)n1 ZINC000065184114 205216369 /nfs/dbraw/zinc/21/63/69/205216369.db2.gz RQXZLSINPXFDHX-UHFFFAOYSA-N 1 1 376.460 3.863 50 0 GHAAMO CCNc1nc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc(C)[nH+]1 ZINC000064801699 205194738 /nfs/dbraw/zinc/19/47/38/205194738.db2.gz CSKKJJSPPRXAJH-UHFFFAOYSA-N 1 1 383.477 3.761 50 0 GHAAMO CC[N@H+]1CCC[C@H](c2c(-c3ccccc3)ncn2CCSc2c[nH]nn2)C1 ZINC000065382955 205232033 /nfs/dbraw/zinc/23/20/33/205232033.db2.gz JMWKFYNMBZKZOI-KRWDZBQOSA-N 1 1 382.537 3.660 50 0 GHAAMO CC[N@@H+]1CCC[C@H](c2c(-c3ccccc3)ncn2CCSc2cn[nH]n2)C1 ZINC000065382955 205232037 /nfs/dbraw/zinc/23/20/37/205232037.db2.gz JMWKFYNMBZKZOI-KRWDZBQOSA-N 1 1 382.537 3.660 50 0 GHAAMO CC[N@H+]1CCC[C@H](c2c(-c3ccccc3)ncn2CCSc2cn[nH]n2)C1 ZINC000065382955 205232041 /nfs/dbraw/zinc/23/20/41/205232041.db2.gz JMWKFYNMBZKZOI-KRWDZBQOSA-N 1 1 382.537 3.660 50 0 GHAAMO CCCn1nccc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071479430 205285801 /nfs/dbraw/zinc/28/58/01/205285801.db2.gz QHTMOXLTPDOBLB-NRFANRHFSA-N 1 1 386.515 3.805 50 0 GHAAMO CC(C)[C@@H]1CN(C(=O)c2cccc(Cn3cccn3)c2)CCC[N@H+]1CC1CC1 ZINC000071715115 205288313 /nfs/dbraw/zinc/28/83/13/205288313.db2.gz AJVRLNSEOOYFBS-QFIPXVFZSA-N 1 1 380.536 3.514 50 0 GHAAMO CC(C)(C)CNC(=O)[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071771015 205296537 /nfs/dbraw/zinc/29/65/37/205296537.db2.gz ROSKDYLSIRIBON-NRFANRHFSA-N 1 1 385.596 3.568 50 0 GHAAMO CCc1cccc(NC(=O)NCCNc2cc(Nc3ccccn3)nc(C)[nH+]2)c1 ZINC000090608002 205275492 /nfs/dbraw/zinc/27/54/92/205275492.db2.gz ALSIYMCQNJXPNN-UHFFFAOYSA-N 1 1 391.479 3.720 50 0 GHAAMO Cc1[nH+]ccn1-c1ccc(Cn2ccnc2-c2cc3ccccc3[nH]c2=O)cc1 ZINC000072143470 205311876 /nfs/dbraw/zinc/31/18/76/205311876.db2.gz NOYMFFNOKLQSBC-UHFFFAOYSA-N 1 1 381.439 3.934 50 0 GHAAMO Cc1nnnn1CCC[N@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072146361 205311950 /nfs/dbraw/zinc/31/19/50/205311950.db2.gz KRCMLBJLSSAONG-MRXNPFEDSA-N 1 1 381.446 3.735 50 0 GHAAMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCN(c4ncccc4C(N)=O)C3)C2)cc1 ZINC000072169191 205316512 /nfs/dbraw/zinc/31/65/12/205316512.db2.gz FBWKCWZXLPQMKA-XMMPIXPASA-N 1 1 392.547 3.796 50 0 GHAAMO CNC(=O)[C@H]1CC[N@@H+](Cc2cc3cccc(C)c3nc2-c2ccc(OC)cc2)C1 ZINC000072412035 205346745 /nfs/dbraw/zinc/34/67/45/205346745.db2.gz CCURTOLGHZNDRI-IBGZPJMESA-N 1 1 389.499 3.787 50 0 GHAAMO CC(C)n1cncc1C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccc2)C1 ZINC000072411307 205347668 /nfs/dbraw/zinc/34/76/68/205347668.db2.gz HXFGYAQLQXMEME-RBBKRZOGSA-N 1 1 380.536 3.520 50 0 GHAAMO CCn1nc(C(C)C)cc1C(=O)N(C)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072422053 205348722 /nfs/dbraw/zinc/34/87/22/205348722.db2.gz NNNMXFRWWDKOAL-FQEVSTJZSA-N 1 1 382.552 3.806 50 0 GHAAMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc3nc(-c4ccccc4)cn3c2)C1 ZINC000082138996 205387599 /nfs/dbraw/zinc/38/75/99/205387599.db2.gz GJRQUOSJGTVWGF-GOSISDBHSA-N 1 1 376.504 3.709 50 0 GHAAMO Cc1noc(C)c1CSc1ncccc1C(=O)N(C)CCCn1cc[nH+]c1C ZINC000084025455 205391657 /nfs/dbraw/zinc/39/16/57/205391657.db2.gz AQEMXFSKZADHPT-UHFFFAOYSA-N 1 1 399.520 3.646 50 0 GHAAMO O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000032848484 206093275 /nfs/dbraw/zinc/09/32/75/206093275.db2.gz UALADXLKBGLXLA-OUKQBFOZSA-N 1 1 386.499 3.620 50 0 GHAAMO COc1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccccc3OC)C2)cc2c1OCO2 ZINC000012074379 221146573 /nfs/dbraw/zinc/14/65/73/221146573.db2.gz ATLSYRGTQBUXLA-INIZCTEOSA-N 1 1 383.444 3.527 50 0 GHAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)c3ccccc3OC)C2)cc2c1OCO2 ZINC000012074379 221146576 /nfs/dbraw/zinc/14/65/76/221146576.db2.gz ATLSYRGTQBUXLA-INIZCTEOSA-N 1 1 383.444 3.527 50 0 GHAAMO Cc1nc2sc3c(c2c(N2CCC([N@@H+]4CCO[C@H](C)C4)CC2)n1)CCCC3 ZINC000040135270 132399475 /nfs/dbraw/zinc/39/94/75/132399475.db2.gz GSNKPBAUWXGUHO-CQSZACIVSA-N 1 1 386.565 3.568 50 0 GHAAMO CCCc1cc(N2CCC3(CCC(=O)N(Cc4cccnc4)C3)CC2)nc(C)[nH+]1 ZINC000091416514 136176199 /nfs/dbraw/zinc/17/61/99/136176199.db2.gz BOBDARKFTQVYLL-UHFFFAOYSA-N 1 1 393.535 3.542 50 0 GHAAMO CC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000019848481 519041483 /nfs/dbraw/zinc/04/14/83/519041483.db2.gz VQWBNESCKBUGTG-QFIPXVFZSA-N 1 1 382.548 3.542 50 0 GHAAMO Cc1[nH+]ccn1CCN(C)C(=O)Nc1c(-c2ccccc2)cnn1C(C)(C)C ZINC000096138095 570212080 /nfs/dbraw/zinc/21/20/80/570212080.db2.gz VVCWVYMDCHFCDE-UHFFFAOYSA-N 1 1 380.496 3.974 50 0 GHAAMO CCCN1CCc2nc[nH]c2C12CC[NH+](Cc1nc3c(s1)CCCC3)CC2 ZINC000096150883 570215250 /nfs/dbraw/zinc/21/52/50/570215250.db2.gz AANVVWGRJWDMPT-UHFFFAOYSA-N 1 1 385.581 3.504 50 0 GHAAMO O=C(Nc1ccnn1C1CC[NH+](Cc2nc3ccccc3s2)CC1)C1CC1 ZINC000019790780 570219422 /nfs/dbraw/zinc/21/94/22/570219422.db2.gz UUIJWVMYRJYJSW-UHFFFAOYSA-N 1 1 381.505 3.678 50 0 GHAAMO COc1ccc(CN2CC[N@@H+](Cc3cc4ccccc4o3)C[C@@H]2CCO)cc1C ZINC000019837566 570224165 /nfs/dbraw/zinc/22/41/65/570224165.db2.gz OXSAXGFIKJIDAD-NRFANRHFSA-N 1 1 394.515 3.819 50 0 GHAAMO Cc1csc2nc(C[NH+]3CCC(Oc4c(C)cccc4C)CC3)cc(=O)n12 ZINC000048287545 570227580 /nfs/dbraw/zinc/22/75/80/570227580.db2.gz LQGDFCUUIUFERJ-UHFFFAOYSA-N 1 1 383.517 3.725 50 0 GHAAMO CCCCOc1ccccc1C(=O)NCC1(N2CC[NH+](C)CC2)CCCCC1 ZINC000019902024 570228922 /nfs/dbraw/zinc/22/89/22/570228922.db2.gz DCCDRFGPTCDQIA-UHFFFAOYSA-N 1 1 387.568 3.546 50 0 GHAAMO c1cnn(-c2ccc(C[N@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)cc2)c1 ZINC000048362528 570244308 /nfs/dbraw/zinc/24/43/08/570244308.db2.gz XYCCFZPCPFRIHF-LJQANCHMSA-N 1 1 376.508 3.570 50 0 GHAAMO Cn1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1=O ZINC000048374518 570247491 /nfs/dbraw/zinc/24/74/91/570247491.db2.gz PLKIBGBJRFVBJQ-QGZVFWFLSA-N 1 1 394.302 3.685 50 0 GHAAMO Cn1ccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1=O ZINC000048374518 570247493 /nfs/dbraw/zinc/24/74/93/570247493.db2.gz PLKIBGBJRFVBJQ-QGZVFWFLSA-N 1 1 394.302 3.685 50 0 GHAAMO COc1ccc(CC[N@@H+](C)CCC(=O)Nc2cccc(Cl)c2)cc1OC ZINC000001176509 570254464 /nfs/dbraw/zinc/25/44/64/570254464.db2.gz BBPJRGQWGMHBAK-UHFFFAOYSA-N 1 1 376.884 3.860 50 0 GHAAMO COc1ccccc1CN1CCC[C@@H]([N@@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000020449921 570256497 /nfs/dbraw/zinc/25/64/97/570256497.db2.gz FQHNJARIOWNKPE-OAQYLSRUSA-N 1 1 398.547 3.851 50 0 GHAAMO Cc1ccccc1C[N@@H+]1CCN(Cc2nc3ccccc3s2)C[C@H]1CCO ZINC000104328495 570257012 /nfs/dbraw/zinc/25/70/12/570257012.db2.gz MLYMGGUVMXSAQM-LJQANCHMSA-N 1 1 381.545 3.674 50 0 GHAAMO Cc1ccccc1C[N@H+]1CCN(Cc2nc3ccccc3s2)C[C@H]1CCO ZINC000104328495 570257013 /nfs/dbraw/zinc/25/70/13/570257013.db2.gz MLYMGGUVMXSAQM-LJQANCHMSA-N 1 1 381.545 3.674 50 0 GHAAMO CCOC(=O)Nc1ccc2c(C[N@H+]3CCc4ccccc4C3)cc(=O)oc2c1 ZINC000049553051 570269992 /nfs/dbraw/zinc/26/99/92/570269992.db2.gz XKOSMGUWMVBFGB-UHFFFAOYSA-N 1 1 378.428 3.920 50 0 GHAAMO CCCn1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)c(C)n1 ZINC000020781094 570280491 /nfs/dbraw/zinc/28/04/91/570280491.db2.gz IBXGIGDNXCMJOL-HSZRJFAPSA-N 1 1 399.558 3.527 50 0 GHAAMO CCCn1cc(C[N@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)c(C)n1 ZINC000020781094 570280493 /nfs/dbraw/zinc/28/04/93/570280493.db2.gz IBXGIGDNXCMJOL-HSZRJFAPSA-N 1 1 399.558 3.527 50 0 GHAAMO Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)c12 ZINC000012910871 570290549 /nfs/dbraw/zinc/29/05/49/570290549.db2.gz LZQHEAFASRJHLW-FQEVSTJZSA-N 1 1 391.519 3.529 50 0 GHAAMO Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)c12 ZINC000012910871 570290550 /nfs/dbraw/zinc/29/05/50/570290550.db2.gz LZQHEAFASRJHLW-FQEVSTJZSA-N 1 1 391.519 3.529 50 0 GHAAMO O=C(NCc1ccco1)c1cccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000034668760 570293066 /nfs/dbraw/zinc/29/30/66/570293066.db2.gz BARCSIWLJUXIST-UHFFFAOYSA-N 1 1 393.462 3.671 50 0 GHAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)ccc3o2)[NH+]2CCCC2)o1 ZINC000021659783 570293792 /nfs/dbraw/zinc/29/37/92/570293792.db2.gz KEVCBTCLLGPWLZ-QGZVFWFLSA-N 1 1 380.444 3.570 50 0 GHAAMO COc1ccccc1-c1ncc(C[N@H+]2CCCC[C@H]2CCn2cccn2)cn1 ZINC000216076153 570295551 /nfs/dbraw/zinc/29/55/51/570295551.db2.gz BCEQIZMSUSIRLQ-IBGZPJMESA-N 1 1 377.492 3.794 50 0 GHAAMO CC(C)(C)c1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022030436 570302712 /nfs/dbraw/zinc/30/27/12/570302712.db2.gz POTFGLQYCLNNMV-OAQYLSRUSA-N 1 1 382.548 3.542 50 0 GHAAMO Cc1ccc2cc(CN3CC[N@H+](C)[C@@H](CCO)C3)c(-c3cccs3)nc2c1 ZINC000106962199 570307889 /nfs/dbraw/zinc/30/78/89/570307889.db2.gz RVLXILOWCVRNJJ-IBGZPJMESA-N 1 1 381.545 3.770 50 0 GHAAMO Cc1ccc2cc(C[N@H+]3CCN(C)[C@@H](CCO)C3)c(-c3cccs3)nc2c1 ZINC000106962199 570307890 /nfs/dbraw/zinc/30/78/90/570307890.db2.gz RVLXILOWCVRNJJ-IBGZPJMESA-N 1 1 381.545 3.770 50 0 GHAAMO Cc1ccc2cc(C[N@@H+]3CCN(C)[C@@H](CCO)C3)c(-c3cccs3)nc2c1 ZINC000106962199 570307893 /nfs/dbraw/zinc/30/78/93/570307893.db2.gz RVLXILOWCVRNJJ-IBGZPJMESA-N 1 1 381.545 3.770 50 0 GHAAMO O[C@@H](COCc1ccccc1)CN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000022932013 570337198 /nfs/dbraw/zinc/33/71/98/570337198.db2.gz NTGAZQKHAKIKRJ-OAQYLSRUSA-N 1 1 396.556 3.597 50 0 GHAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(C)=O)[N@@H+](Cc1ccccc1C)CC2 ZINC000034855480 570341614 /nfs/dbraw/zinc/34/16/14/570341614.db2.gz JELXTBQTVQDFGD-MWTRTKDXSA-N 1 1 382.504 3.636 50 0 GHAAMO CC[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc(C)cc1 ZINC000024989217 570342454 /nfs/dbraw/zinc/34/24/54/570342454.db2.gz ROGHNNQHLSGVAF-IRLDBZIGSA-N 1 1 393.531 3.913 50 0 GHAAMO O=C1CC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)CCN1CC1CCCCC1 ZINC000023367469 570357149 /nfs/dbraw/zinc/35/71/49/570357149.db2.gz DBVJMXJIYKZAEI-UHFFFAOYSA-N 1 1 394.519 3.884 50 0 GHAAMO CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1 ZINC000023819615 570373387 /nfs/dbraw/zinc/37/33/87/570373387.db2.gz GDRQOIUQHWVKIZ-CYBMUJFWSA-N 1 1 379.302 3.686 50 0 GHAAMO CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000023819615 570373389 /nfs/dbraw/zinc/37/33/89/570373389.db2.gz GDRQOIUQHWVKIZ-CYBMUJFWSA-N 1 1 379.302 3.686 50 0 GHAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000229766943 570378320 /nfs/dbraw/zinc/37/83/20/570378320.db2.gz XWUVBDRTZDVLKS-RHSMWYFYSA-N 1 1 398.450 3.819 50 0 GHAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000229929030 570378601 /nfs/dbraw/zinc/37/86/01/570378601.db2.gz FCMQHASXPSSXFU-MORSLUCNSA-N 1 1 388.899 3.926 50 0 GHAAMO CC(=O)Nc1nc(CN2CCC[C@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)cs1 ZINC000089265668 570379853 /nfs/dbraw/zinc/37/98/53/570379853.db2.gz KMSPXAHGCLQCDC-PMACEKPBSA-N 1 1 384.549 3.731 50 0 GHAAMO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)cc1C ZINC000024813765 570394016 /nfs/dbraw/zinc/39/40/16/570394016.db2.gz LEOJOTRDHXDDFS-INIZCTEOSA-N 1 1 383.492 3.729 50 0 GHAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCC[C@@H]3c3ccncc3)cc2)C[C@H](C)O1 ZINC000025094413 570405732 /nfs/dbraw/zinc/40/57/32/570405732.db2.gz UNUIJOJNELQMBK-KGVIQGDOSA-N 1 1 379.504 3.668 50 0 GHAAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCC[C@@H]3c3ccncc3)cc2)C[C@H](C)O1 ZINC000025094413 570405735 /nfs/dbraw/zinc/40/57/35/570405735.db2.gz UNUIJOJNELQMBK-KGVIQGDOSA-N 1 1 379.504 3.668 50 0 GHAAMO CC(C)[C@@H](NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000025105294 570406244 /nfs/dbraw/zinc/40/62/44/570406244.db2.gz LZUDCAPQESSDIE-JOCHJYFZSA-N 1 1 399.510 3.854 50 0 GHAAMO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cn2c(=O)oc3cc(Cl)ccc32)C1 ZINC000028816995 570464657 /nfs/dbraw/zinc/46/46/57/570464657.db2.gz BEUWQXPVMIISNW-CQSZACIVSA-N 1 1 385.851 3.556 50 0 GHAAMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cn2c(=O)oc3cc(Cl)ccc32)C1 ZINC000028816995 570464662 /nfs/dbraw/zinc/46/46/62/570464662.db2.gz BEUWQXPVMIISNW-CQSZACIVSA-N 1 1 385.851 3.556 50 0 GHAAMO COc1cc(C[N@H+]2CCCCC[C@@H]2c2cccc(F)c2)ccc1OCC(N)=O ZINC000033087218 570519653 /nfs/dbraw/zinc/51/96/53/570519653.db2.gz YUXVXXBYBGXWCW-LJQANCHMSA-N 1 1 386.467 3.816 50 0 GHAAMO COc1ccc(COC[C@@H](O)C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)cc1OC ZINC000034889301 570546831 /nfs/dbraw/zinc/54/68/31/570546831.db2.gz RKWYQOQBMDMBII-PBHICJAKSA-N 1 1 395.446 3.553 50 0 GHAAMO O=C(C[C@@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)Nc1ccccc1Sc1ccccc1 ZINC000009184240 570550870 /nfs/dbraw/zinc/55/08/70/570550870.db2.gz RZMQOSLRWYACBH-LNLFQRSKSA-N 1 1 395.528 3.566 50 0 GHAAMO O=C(C[NH+]1CCCCC1)NN=c1nc(-c2ccccc2)c2ccc(Cl)cc2[nH]1 ZINC000253429089 570592091 /nfs/dbraw/zinc/59/20/91/570592091.db2.gz BZNHYTJAYBBNEV-UHFFFAOYSA-N 1 1 395.894 3.879 50 0 GHAAMO CC(C)CCNC(=O)[C@@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169680558 570601583 /nfs/dbraw/zinc/60/15/83/570601583.db2.gz XZDIMHPBXLACDW-VWNXMTODSA-N 1 1 391.559 3.712 50 0 GHAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)C(=O)Cc3ccccc3C)C2)cc1 ZINC000012386222 570651534 /nfs/dbraw/zinc/65/15/34/570651534.db2.gz XXAPAYKKSLXEAS-QFIPXVFZSA-N 1 1 394.559 3.959 50 0 GHAAMO COc1ccc(-c2n[nH]cc2CN2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)cc1 ZINC000012444742 570665715 /nfs/dbraw/zinc/66/57/15/570665715.db2.gz QYUJVROBMGMRGT-QHCPKHFHSA-N 1 1 380.536 3.783 50 0 GHAAMO CCn1nc(C)c(CN(C)C[C@H]2CCC[N@@H+](CCc3ccc(OC)cc3)C2)c1C ZINC000012479752 570674500 /nfs/dbraw/zinc/67/45/00/570674500.db2.gz LPZDVDUFTIKUKY-JOCHJYFZSA-N 1 1 398.595 3.915 50 0 GHAAMO O=C(Cc1cccc(F)c1F)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000012507558 570675222 /nfs/dbraw/zinc/67/52/22/570675222.db2.gz CWDIRVDDDGOFJJ-KRWDZBQOSA-N 1 1 378.850 3.942 50 0 GHAAMO O=C(Cc1cccc(F)c1F)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000012507558 570675224 /nfs/dbraw/zinc/67/52/24/570675224.db2.gz CWDIRVDDDGOFJJ-KRWDZBQOSA-N 1 1 378.850 3.942 50 0 GHAAMO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4cnn(C(C)C)c4)C3)C2)c1 ZINC000012590392 570686680 /nfs/dbraw/zinc/68/66/80/570686680.db2.gz IDNLAZILLZUVHS-QHCPKHFHSA-N 1 1 380.536 3.901 50 0 GHAAMO COc1cc(C(=O)N[C@@H]2CCC[N@H+](C3CCCCCC3)C2)cc(OC)c1OC ZINC000012757652 570710088 /nfs/dbraw/zinc/71/00/88/570710088.db2.gz PMCNWDQRNLRHFK-QGZVFWFLSA-N 1 1 390.524 3.629 50 0 GHAAMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@H](CN4CCCC4=O)C3)c(C)o2)cc1 ZINC000012762222 570711225 /nfs/dbraw/zinc/71/12/25/570711225.db2.gz ACNHMRGHBVWJNG-GOSISDBHSA-N 1 1 397.519 3.883 50 0 GHAAMO CC[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc2S1 ZINC000033059268 570744289 /nfs/dbraw/zinc/74/42/89/570744289.db2.gz PJQRCZLJHIRQLS-FQEVSTJZSA-N 1 1 395.572 3.722 50 0 GHAAMO CC(=O)c1ccc(N2CC[NH+](C[C@H](O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000051112353 570812147 /nfs/dbraw/zinc/81/21/47/570812147.db2.gz OSULMHAYFMJYJM-FQEVSTJZSA-N 1 1 392.421 3.764 50 0 GHAAMO O=C(CC[NH2+][C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)N1CCCC1 ZINC000014121566 570823994 /nfs/dbraw/zinc/82/39/94/570823994.db2.gz IUHNHGHUYYDKKK-JOCHJYFZSA-N 1 1 375.472 3.694 50 0 GHAAMO CN(Cc1ccc(F)cc1)Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000014957692 570866216 /nfs/dbraw/zinc/86/62/16/570866216.db2.gz CTJNUQULCGVKJJ-JOCHJYFZSA-N 1 1 386.511 3.683 50 0 GHAAMO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3ccsc3n2)cc1 ZINC000033268819 570893677 /nfs/dbraw/zinc/89/36/77/570893677.db2.gz RBVDFMDNHSCLRU-UHFFFAOYSA-N 1 1 391.496 3.967 50 0 GHAAMO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3ccsc3n2)cc1 ZINC000033268819 570893679 /nfs/dbraw/zinc/89/36/79/570893679.db2.gz RBVDFMDNHSCLRU-UHFFFAOYSA-N 1 1 391.496 3.967 50 0 GHAAMO c1ccc(CN2CC[C@H]2c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc1 ZINC000097101337 570894561 /nfs/dbraw/zinc/89/45/61/570894561.db2.gz IOIHNRXGPGHQOT-NRFANRHFSA-N 1 1 390.487 3.516 50 0 GHAAMO Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cc(=O)c2c1 ZINC000015859916 570906870 /nfs/dbraw/zinc/90/68/70/570906870.db2.gz GYIUASFEYSZDMS-QGZVFWFLSA-N 1 1 380.444 3.570 50 0 GHAAMO Cc1nc(COc2ccc(C(=O)NC[C@H]3CCC[N@@H+]3CC(C)C)cc2)cs1 ZINC000089712499 570910194 /nfs/dbraw/zinc/91/01/94/570910194.db2.gz KCQUIJVPDXRJII-LJQANCHMSA-N 1 1 387.549 3.881 50 0 GHAAMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1Br ZINC000032911480 570914668 /nfs/dbraw/zinc/91/46/68/570914668.db2.gz GTMRBOBZIOAKDA-INIZCTEOSA-N 1 1 391.284 3.983 50 0 GHAAMO CC1=NN(c2ccc(C(=O)OC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000089919811 570919611 /nfs/dbraw/zinc/91/96/11/570919611.db2.gz TXEVVPQTOBCOIV-HXUWFJFHSA-N 1 1 377.488 3.952 50 0 GHAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(C)=O)[N@H+](Cc1cccc(C)c1)CC2 ZINC000106227638 570956070 /nfs/dbraw/zinc/95/60/70/570956070.db2.gz VJPLELILNNJBKJ-HJPURHCSSA-N 1 1 382.504 3.636 50 0 GHAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(C)=O)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000106227638 570956074 /nfs/dbraw/zinc/95/60/74/570956074.db2.gz VJPLELILNNJBKJ-HJPURHCSSA-N 1 1 382.504 3.636 50 0 GHAAMO O=C(NC1CCCCC1)[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000019229570 570964938 /nfs/dbraw/zinc/96/49/38/570964938.db2.gz XVGRSJYBZFHBKN-QFIPXVFZSA-N 1 1 397.607 3.854 50 0 GHAAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CCC(=O)c2ccc(F)cc2F)C1 ZINC000107343432 570972929 /nfs/dbraw/zinc/97/29/29/570972929.db2.gz PWKBUFRSDKQZQC-UXLLHSPISA-N 1 1 378.463 3.792 50 0 GHAAMO COCCOC1CC[NH+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000116886510 571003687 /nfs/dbraw/zinc/00/36/87/571003687.db2.gz HFAICHGDTZQBFN-NRFANRHFSA-N 1 1 386.467 3.633 50 0 GHAAMO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[N@H+]1C[C@H]2C[C@@H]1CCC2 ZINC000019595683 571021079 /nfs/dbraw/zinc/02/10/79/571021079.db2.gz TXETZOLLBOQWPP-UXHICEINSA-N 1 1 388.515 3.981 50 0 GHAAMO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc(-c4ccccc4)s3)C2)CN1CCO ZINC000091645438 571022108 /nfs/dbraw/zinc/02/21/08/571022108.db2.gz KKOMFKLZVBJYQH-JOCHJYFZSA-N 1 1 384.545 3.612 50 0 GHAAMO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)Cc3cccnc3)CC2)C1 ZINC000091849192 571033326 /nfs/dbraw/zinc/03/33/26/571033326.db2.gz GEVAXIWLCJJURC-QFIPXVFZSA-N 1 1 377.532 3.742 50 0 GHAAMO CC(C)n1cccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000095376531 571064809 /nfs/dbraw/zinc/06/48/09/571064809.db2.gz FUBCXQYMEQLJSO-GHTZIAJQSA-N 1 1 377.532 3.773 50 0 GHAAMO O=C(c1cc(-c2ccccc2F)n[nH]1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000095376712 571064848 /nfs/dbraw/zinc/06/48/48/571064848.db2.gz OVSRNAZHUSPOQE-IAGOWNOFSA-N 1 1 382.483 3.552 50 0 GHAAMO O=C(c1cc(-c2ccccc2F)[nH]n1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095376712 571064849 /nfs/dbraw/zinc/06/48/49/571064849.db2.gz OVSRNAZHUSPOQE-IAGOWNOFSA-N 1 1 382.483 3.552 50 0 GHAAMO O=C(c1cc(-c2ccccc2F)[nH]n1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000095376712 571064850 /nfs/dbraw/zinc/06/48/50/571064850.db2.gz OVSRNAZHUSPOQE-IAGOWNOFSA-N 1 1 382.483 3.552 50 0 GHAAMO Cc1cccc(Cl)c1OCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095383339 571069164 /nfs/dbraw/zinc/06/91/64/571069164.db2.gz KBPAQSRSZCZKFA-MRXNPFEDSA-N 1 1 376.884 3.649 50 0 GHAAMO c1cn(Cc2ccncc2)c([C@H]2CCCN(c3noc(-c4ccccc4)n3)C2)[nH+]1 ZINC000095500738 571076436 /nfs/dbraw/zinc/07/64/36/571076436.db2.gz OQOZQWYLNRLJCJ-IBGZPJMESA-N 1 1 386.459 3.760 50 0 GHAAMO Cc1c2ccccc2sc1C(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@@H+]2C ZINC000095517101 571084403 /nfs/dbraw/zinc/08/44/03/571084403.db2.gz MJYGLAATTFWMKS-UHFFFAOYSA-N 1 1 380.517 3.552 50 0 GHAAMO CC[C@@](CO)([NH2+]Cc1ccccc1I)c1ccccc1 ZINC000078823101 836043212 /nfs/dbraw/zinc/04/32/12/836043212.db2.gz JYFKAEJYRYTDMK-KRWDZBQOSA-N 1 1 381.257 3.679 50 0 GHAAMO O=c1[nH]c(-c2ccc(C[N@H+](Cc3cncs3)C3CC3)cc2)nc2c1CCC2 ZINC000023581192 836478303 /nfs/dbraw/zinc/47/83/03/836478303.db2.gz MUMOYIRHVPZKSX-UHFFFAOYSA-N 1 1 378.501 3.547 50 0 GHAAMO O=c1[nH]c(-c2ccc(C[N@@H+](Cc3cncs3)C3CC3)cc2)nc2c1CCC2 ZINC000023581192 836478306 /nfs/dbraw/zinc/47/83/06/836478306.db2.gz MUMOYIRHVPZKSX-UHFFFAOYSA-N 1 1 378.501 3.547 50 0 GHAAMO Cc1cc(=O)[nH]c(-c2ccc(C[N@H+](C)Cc3cc(-c4ccccc4)n[nH]3)cc2)n1 ZINC000023337275 836656282 /nfs/dbraw/zinc/65/62/82/836656282.db2.gz NPWOFNMFGYCIFS-UHFFFAOYSA-N 1 1 385.471 3.767 50 0 GHAAMO Cc1cc(=O)[nH]c(-c2ccc(C[N@@H+](C)Cc3cc(-c4ccccc4)n[nH]3)cc2)n1 ZINC000023337275 836656289 /nfs/dbraw/zinc/65/62/89/836656289.db2.gz NPWOFNMFGYCIFS-UHFFFAOYSA-N 1 1 385.471 3.767 50 0 GHAAMO CC(C)CCN1CC[C@H]([NH+]2CCN([C@@H]3CCc4ccccc4C3)CC2)CCC1=O ZINC000023359360 836739815 /nfs/dbraw/zinc/73/98/15/836739815.db2.gz ARAVONUXXIWKFU-DNQXCXABSA-N 1 1 397.607 3.589 50 0 GHAAMO Clc1ccc(-c2noc(C[NH+]3CCC(OC[C@@H]4CCCCO4)CC3)n2)cc1 ZINC000177593129 836857484 /nfs/dbraw/zinc/85/74/84/836857484.db2.gz XJFFJJYNCAKQRI-SFHVURJKSA-N 1 1 391.899 3.940 50 0 GHAAMO Cc1c[nH+]c(CC[C@@H]2CCCN2C(=O)c2ncoc2-c2cccc(C)c2)n1C ZINC000257174269 838687713 /nfs/dbraw/zinc/68/77/13/838687713.db2.gz FDEDEJGEDYYQFO-SFHVURJKSA-N 1 1 378.476 3.929 50 0 GHAAMO CCn1c2ccccc2c(C(=O)C[NH+]2CCC(C(N)=O)CC2)c1-c1ccccc1 ZINC000058145490 862377579 /nfs/dbraw/zinc/37/75/79/862377579.db2.gz JYXXRJGNHPKPTP-UHFFFAOYSA-N 1 1 389.499 3.708 50 0 GHAAMO C[C@H]1CCC[N@@H+](CCOc2ccccc2CN2CCN(c3cccnc3)CC2)C1 ZINC000822413186 862711448 /nfs/dbraw/zinc/71/14/48/862711448.db2.gz RPXXCPUVEFVAQQ-NRFANRHFSA-N 1 1 394.563 3.515 50 0 GHAAMO CN(C)c1c(Cl)cccc1NC(=O)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000179388937 858721278 /nfs/dbraw/zinc/72/12/78/858721278.db2.gz OQVPGAOGVYYENQ-UHFFFAOYSA-N 1 1 394.306 3.809 50 0 GHAAMO Cc1nc(CC(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3C)C2)cs1 ZINC000012076054 858798144 /nfs/dbraw/zinc/79/81/44/858798144.db2.gz DLLMEGHYDZYNJU-IBGZPJMESA-N 1 1 385.577 3.716 50 0 GHAAMO O=C(c1ccc(Oc2nccs2)cc1)N1CC([N@@H+]2CCc3ccccc3C2)C1 ZINC000390827634 860501033 /nfs/dbraw/zinc/50/10/33/860501033.db2.gz IJYREKOAUGFHFA-UHFFFAOYSA-N 1 1 391.496 3.818 50 0 GHAAMO O=C(c1ccc(Oc2nccs2)cc1)N1CC([N@H+]2CCc3ccccc3C2)C1 ZINC000390827634 860501038 /nfs/dbraw/zinc/50/10/38/860501038.db2.gz IJYREKOAUGFHFA-UHFFFAOYSA-N 1 1 391.496 3.818 50 0 GHAAMO CCc1nc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2nc1CC ZINC000020616508 860620677 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XJDHYQKFBHDGED-UHFFFAOYSA-N 1 1 378.513 3.779 50 0 GHAAMO CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000952972503 904651245 /nfs/dbraw/zinc/65/12/45/904651245.db2.gz JZBBEGOZDFFENN-OAQYLSRUSA-N 1 1 377.488 3.507 50 0 GHAAMO CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000952972503 904651256 /nfs/dbraw/zinc/65/12/56/904651256.db2.gz JZBBEGOZDFFENN-OAQYLSRUSA-N 1 1 377.488 3.507 50 0 GHAAMO Cn1cnnc1Sc1ccc(C[NH+]2CCC([C@H](O)c3cccs3)CC2)o1 ZINC000952968342 904662660 /nfs/dbraw/zinc/66/26/60/904662660.db2.gz BVQUQXQIVHLTFJ-KRWDZBQOSA-N 1 1 390.534 3.566 50 0 GHAAMO COc1ccc(-c2noc(C3CCN(c4ccc(C)c[nH+]4)CC3)n2)cc1OC ZINC000113704460 909794364 /nfs/dbraw/zinc/79/43/64/909794364.db2.gz VEAPKPFDWNNIBT-UHFFFAOYSA-N 1 1 380.448 3.841 50 0 GHAAMO Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)cc12 ZINC000115441120 910684773 /nfs/dbraw/zinc/68/47/73/910684773.db2.gz DRHPHXIAAXCPEW-MRXNPFEDSA-N 1 1 382.533 3.809 50 0 GHAAMO COc1ccccc1N1CC[C@@H]([NH+]2CCC(OCc3ccc(F)cc3)CC2)C1=O ZINC000091887897 911315135 /nfs/dbraw/zinc/31/51/35/911315135.db2.gz YGZYMIWUAXZZOO-OAQYLSRUSA-N 1 1 398.478 3.621 50 0 GHAAMO O=C(NCc1ccccc1)[C@H]1CCCN(C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000014976380 919352401 /nfs/dbraw/zinc/35/24/01/919352401.db2.gz WRKDTFJERUMZPH-NRFANRHFSA-N 1 1 383.580 3.812 50 0 GHAAMO CC(C)Cn1c2ccccc2nc1CN1CC[N@@H+](CC(C)(C)C)[C@@H](CCO)C1 ZINC000020997876 919677925 /nfs/dbraw/zinc/67/79/25/919677925.db2.gz XJJNXTAYLNCYST-IBGZPJMESA-N 1 1 386.584 3.607 50 0 GHAAMO O=C(c1onc2c1CCCC2)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000426573289 231242874 /nfs/dbraw/zinc/24/28/74/231242874.db2.gz OXRUFRVOZMOQDB-HSZRJFAPSA-N 1 1 397.494 3.821 50 0 GHAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000006806261 204209810 /nfs/dbraw/zinc/20/98/10/204209810.db2.gz APPNNINXEOUGFR-INIZCTEOSA-N 1 1 386.565 3.891 50 0 GHAAMO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCC[C@@H]3c3cccs3)cc2)CC1 ZINC000008165672 204264671 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50 0 GHAAMO Cc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)n2)cc1 ZINC000012284528 204389683 /nfs/dbraw/zinc/38/96/83/204389683.db2.gz IFBDJYJQSDVTEY-SFHVURJKSA-N 1 1 376.460 3.896 50 0 GHAAMO Cc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)n2)cc1 ZINC000012284528 204389686 /nfs/dbraw/zinc/38/96/86/204389686.db2.gz IFBDJYJQSDVTEY-SFHVURJKSA-N 1 1 376.460 3.896 50 0 GHAAMO COc1cc(Cl)cc(CN2CC[N@H+](C3CCCCC3)[C@H](CCO)C2)c1OC ZINC000039371490 205040025 /nfs/dbraw/zinc/04/00/25/205040025.db2.gz DFWRYSJZFYCZPN-LJQANCHMSA-N 1 1 396.959 3.559 50 0 GHAAMO Cc1c2cc(C)ccc2[nH]c1C[N@@H+]1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1 ZINC000039447968 205042210 /nfs/dbraw/zinc/04/22/10/205042210.db2.gz BJNLURHYUFHSDN-OAQYLSRUSA-N 1 1 395.522 3.993 50 0 GHAAMO Cc1c2cc(C)ccc2[nH]c1C[N@H+]1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1 ZINC000039447968 205042213 /nfs/dbraw/zinc/04/22/13/205042213.db2.gz BJNLURHYUFHSDN-OAQYLSRUSA-N 1 1 395.522 3.993 50 0 GHAAMO CCCc1noc(CCC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)n1 ZINC000040107154 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3.992 50 0 GHAAMO CCOC(=O)C1CC[NH+]([C@H](C(=O)NC2CCCCC2)c2ccc(C)cc2)CC1 ZINC000058012642 205162627 /nfs/dbraw/zinc/16/26/27/205162627.db2.gz IOYLOXQOMZJVCF-NRFANRHFSA-N 1 1 386.536 3.760 50 0 GHAAMO CC(C)[C@H](C(=O)NCc1ccc(OC(F)F)cc1)[N@H+]1CCc2ccccc2C1 ZINC000058154374 205164754 /nfs/dbraw/zinc/16/47/54/205164754.db2.gz SDCGTJLHDQMQMX-HXUWFJFHSA-N 1 1 388.458 3.987 50 0 GHAAMO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000058370711 205173520 /nfs/dbraw/zinc/17/35/20/205173520.db2.gz FAKRLKRTGCYONG-OAQYLSRUSA-N 1 1 392.503 3.864 50 0 GHAAMO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000058370711 205173524 /nfs/dbraw/zinc/17/35/24/205173524.db2.gz FAKRLKRTGCYONG-OAQYLSRUSA-N 1 1 392.503 3.864 50 0 GHAAMO CC[C@H]1Cn2c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc3cccc(c32)O1 ZINC000064816559 205197362 /nfs/dbraw/zinc/19/73/62/205197362.db2.gz CEBXYZZOAPRBHL-FQEVSTJZSA-N 1 1 389.499 3.770 50 0 GHAAMO C[C@@H](Oc1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cn1)c1ccccc1 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392.499 3.647 50 0 GHAAMO CC[N@@H+](CCCn1cccn1)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000012706041 570700538 /nfs/dbraw/zinc/70/05/38/570700538.db2.gz CLHLUBHFBMEXNC-JOCHJYFZSA-N 1 1 384.568 3.558 50 0 GHAAMO COc1ccccc1-n1cc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cn1 ZINC000012715605 570704242 /nfs/dbraw/zinc/70/42/42/570704242.db2.gz RXBHGTGBDUJGNC-XMMPIXPASA-N 1 1 391.515 3.698 50 0 GHAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(Cl)c1Cl ZINC000012992979 570738513 /nfs/dbraw/zinc/73/85/13/570738513.db2.gz FQCHFBYRYOSHFQ-UHFFFAOYSA-N 1 1 379.287 3.756 50 0 GHAAMO CCSC[C@@H]1CCC[N@H+]1C1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000206792962 570752716 /nfs/dbraw/zinc/75/27/16/570752716.db2.gz XBZDHWIJFYIZOT-KRWDZBQOSA-N 1 1 391.537 3.629 50 0 GHAAMO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000012520380 570827162 /nfs/dbraw/zinc/82/71/62/570827162.db2.gz FYVAFCCWQJBDQY-YMPZKCBVSA-N 1 1 391.515 3.554 50 0 GHAAMO Cc1ccc(-c2cc(C(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)[nH]n2)s1 ZINC000012535900 570835797 /nfs/dbraw/zinc/83/57/97/570835797.db2.gz UHRPEYBBZXDZBM-UHFFFAOYSA-N 1 1 398.507 3.934 50 0 GHAAMO Cc1ccc(-c2cc(C(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)[nH]n2)s1 ZINC000012535900 570835800 /nfs/dbraw/zinc/83/58/00/570835800.db2.gz UHRPEYBBZXDZBM-UHFFFAOYSA-N 1 1 398.507 3.934 50 0 GHAAMO CC(C)c1cccc2c(O)c(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)cnc21 ZINC000526052607 570846553 /nfs/dbraw/zinc/84/65/53/570846553.db2.gz UBRKBSVIKOHDBK-UZLBHIALSA-N 1 1 381.520 3.646 50 0 GHAAMO C[NH+]1CCN(c2nc3ccc(OC(=O)c4ccc(Cl)s4)cc3s2)CC1 ZINC000007512867 570861881 /nfs/dbraw/zinc/86/18/81/570861881.db2.gz KXZOUQPMJUCFBP-UHFFFAOYSA-N 1 1 393.921 3.982 50 0 GHAAMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(OC(F)F)cc2)cc1OC ZINC000014929132 570865254 /nfs/dbraw/zinc/86/52/54/570865254.db2.gz LTQXXSDETLYXGJ-ZDUSSCGKSA-N 1 1 394.418 3.764 50 0 GHAAMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(OC(F)F)cc2)cc1OC ZINC000014929132 570865255 /nfs/dbraw/zinc/86/52/55/570865255.db2.gz LTQXXSDETLYXGJ-ZDUSSCGKSA-N 1 1 394.418 3.764 50 0 GHAAMO CC1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1 ZINC000014972671 570868092 /nfs/dbraw/zinc/86/80/92/570868092.db2.gz CEVYRYPKPIBVKB-QHCPKHFHSA-N 1 1 397.607 3.664 50 0 GHAAMO C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1ccccc1N1CCOCC1 ZINC000032870901 570869613 /nfs/dbraw/zinc/86/96/13/570869613.db2.gz WVFRYAOQOJGMCO-UHFFFAOYSA-N 1 1 387.911 3.637 50 0 GHAAMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2N2CCOCC2)c1 ZINC000015039112 570873048 /nfs/dbraw/zinc/87/30/48/570873048.db2.gz LISVAGMIOJOCHH-LJQANCHMSA-N 1 1 381.520 3.599 50 0 GHAAMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2N2CCOCC2)c1 ZINC000015039112 570873049 /nfs/dbraw/zinc/87/30/49/570873049.db2.gz LISVAGMIOJOCHH-LJQANCHMSA-N 1 1 381.520 3.599 50 0 GHAAMO COc1ccc2cc(C(=O)[C@@H]3CCC[N@@H+](Cc4cn(C)nc4C)C3)ccc2c1 ZINC000015076176 570878852 /nfs/dbraw/zinc/87/88/52/570878852.db2.gz XAXISMZPVMYZGE-HXUWFJFHSA-N 1 1 377.488 3.985 50 0 GHAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cccc(C[S@](C)=O)c2)C1 ZINC000170621127 570878989 /nfs/dbraw/zinc/87/89/89/570878989.db2.gz RJAFZNCCZCFMOB-JMQGSBJISA-N 1 1 398.572 3.727 50 0 GHAAMO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000103920441 570889972 /nfs/dbraw/zinc/88/99/72/570889972.db2.gz XLJRWYJSYDZHKH-KDOFPFPSSA-N 1 1 388.533 3.952 50 0 GHAAMO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000103920441 570889976 /nfs/dbraw/zinc/88/99/76/570889976.db2.gz XLJRWYJSYDZHKH-KDOFPFPSSA-N 1 1 388.533 3.952 50 0 GHAAMO Cc1cc(C)c2c(=O)cc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)oc2c1 ZINC000015859919 570906805 /nfs/dbraw/zinc/90/68/05/570906805.db2.gz YGSOJBJIPQYGNC-INIZCTEOSA-N 1 1 380.444 3.570 50 0 GHAAMO Cc1[nH+]ccn1CCCSc1nnc(-c2ccc(Cl)cc2Cl)n1N ZINC000089735707 570910644 /nfs/dbraw/zinc/91/06/44/570910644.db2.gz BNJSDALCSKIDNS-UHFFFAOYSA-N 1 1 383.308 3.653 50 0 GHAAMO Cc1ccn2c(=O)cc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCCO4)nc2c1 ZINC000016343895 570923096 /nfs/dbraw/zinc/92/30/96/570923096.db2.gz COFKJUAAVYDUAJ-IBGZPJMESA-N 1 1 391.471 3.501 50 0 GHAAMO Cc1ccn2c(=O)cc(C[N@H+](C)Cc3ccccc3N3CCCCC3)nc2c1 ZINC000016385114 570924220 /nfs/dbraw/zinc/92/42/20/570924220.db2.gz DLCWFUFMMXPJIZ-UHFFFAOYSA-N 1 1 376.504 3.625 50 0 GHAAMO O=C(CCCc1nc2ccccc2s1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000017357858 570946126 /nfs/dbraw/zinc/94/61/26/570946126.db2.gz NGVAPVXWMOXARO-UHFFFAOYSA-N 1 1 379.529 3.963 50 0 GHAAMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000012789632 570948098 /nfs/dbraw/zinc/94/80/98/570948098.db2.gz VOILBQJDEWPWOX-CMKODMSKSA-N 1 1 379.504 3.603 50 0 GHAAMO O=C(c1cc(F)c(F)c(F)c1)c1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000085651617 570975822 /nfs/dbraw/zinc/97/58/22/570975822.db2.gz HBVPLENRDDROPV-UHFFFAOYSA-N 1 1 391.389 3.674 50 0 GHAAMO Cn1c2cc(Cl)ccc2nc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000328979665 570994123 /nfs/dbraw/zinc/99/41/23/570994123.db2.gz CXYHOORMAXOFSU-UHFFFAOYSA-N 1 1 380.883 3.649 50 0 GHAAMO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000012752207 571005145 /nfs/dbraw/zinc/00/51/45/571005145.db2.gz WFQBMTQFUFWBPJ-ZDUSSCGKSA-N 1 1 398.334 3.655 50 0 GHAAMO CCCc1nn2c(nc(C[N@@H+](CCC)Cc3ccc(OC)cc3)cc2=O)s1 ZINC000046032294 571013392 /nfs/dbraw/zinc/01/33/92/571013392.db2.gz KGDINWQSRKTHLW-UHFFFAOYSA-N 1 1 386.521 3.524 50 0 GHAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1Oc1ccccc1)C2 ZINC000095382589 571068578 /nfs/dbraw/zinc/06/85/78/571068578.db2.gz OTZVOKNAVZZMNF-RTBURBONSA-N 1 1 380.488 3.662 50 0 GHAAMO CCc1cc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C)C3)ccn1 ZINC000095389299 571072117 /nfs/dbraw/zinc/07/21/17/571072117.db2.gz XLWXGLRTEJGNKQ-NRFANRHFSA-N 1 1 377.532 3.986 50 0 GHAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccccn1 ZINC000095503966 571077494 /nfs/dbraw/zinc/07/74/94/571077494.db2.gz BEQSXVIECROQAD-HXUWFJFHSA-N 1 1 381.520 3.507 50 0 GHAAMO COCC[NH+]1CCN(C(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)CC1 ZINC000095518168 571085166 /nfs/dbraw/zinc/08/51/66/571085166.db2.gz YFHPHHKYDGHACR-UHFFFAOYSA-N 1 1 378.476 3.631 50 0 GHAAMO CC(C)(C)Sc1c(Br)cccc1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000845984484 834627535 /nfs/dbraw/zinc/62/75/35/834627535.db2.gz ZXLCEQOUXYODBS-HIFRSBDPSA-N 1 1 388.371 3.515 50 0 GHAAMO CC(C)(C)Sc1c(Br)cccc1C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000845984484 834627542 /nfs/dbraw/zinc/62/75/42/834627542.db2.gz ZXLCEQOUXYODBS-HIFRSBDPSA-N 1 1 388.371 3.515 50 0 GHAAMO Cc1cc(N2CCC(NC(=O)N3CCC[C@H]3c3cccc(F)c3)CC2)nc(C)[nH+]1 ZINC000176881092 834905060 /nfs/dbraw/zinc/90/50/60/834905060.db2.gz RKSFHNZHJICBMW-FQEVSTJZSA-N 1 1 397.498 3.748 50 0 GHAAMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C3(Cc4ccccc4)CC3)c2)CCO1 ZINC000177439121 836538389 /nfs/dbraw/zinc/53/83/89/836538389.db2.gz BASFNOCUKWOFMM-LJQANCHMSA-N 1 1 378.516 3.546 50 0 GHAAMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C3(Cc4ccccc4)CC3)c2)CCO1 ZINC000177439121 836538396 /nfs/dbraw/zinc/53/83/96/836538396.db2.gz BASFNOCUKWOFMM-LJQANCHMSA-N 1 1 378.516 3.546 50 0 GHAAMO Clc1ccc(-c2noc(C[NH+]3CCC(OC[C@H]4CCCCO4)CC3)n2)cc1 ZINC000177593144 837988549 /nfs/dbraw/zinc/98/85/49/837988549.db2.gz XJFFJJYNCAKQRI-GOSISDBHSA-N 1 1 391.899 3.940 50 0 GHAAMO C[C@]1(CNC(=O)c2ccc(-c3ncon3)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000162413283 840886887 /nfs/dbraw/zinc/88/68/87/840886887.db2.gz WTNQQDPYEXGNAM-JOCHJYFZSA-N 1 1 376.460 3.521 50 0 GHAAMO Cc1noc([C@H]2C[N@H+](Cc3ccsc3)CCCN2C(=O)c2ccccc2)n1 ZINC000675022578 840907672 /nfs/dbraw/zinc/90/76/72/840907672.db2.gz QFUDAVQJLDSEKB-GOSISDBHSA-N 1 1 382.489 3.529 50 0 GHAAMO Cc1noc([C@H]2C[N@@H+](Cc3ccsc3)CCCN2C(=O)c2ccccc2)n1 ZINC000675022578 840907681 /nfs/dbraw/zinc/90/76/81/840907681.db2.gz QFUDAVQJLDSEKB-GOSISDBHSA-N 1 1 382.489 3.529 50 0 GHAAMO Cc1noc([C@@H]2C[N@H+](Cc3ccsc3)CCCN2C(=O)c2ccccc2)n1 ZINC000675022579 840908016 /nfs/dbraw/zinc/90/80/16/840908016.db2.gz QFUDAVQJLDSEKB-SFHVURJKSA-N 1 1 382.489 3.529 50 0 GHAAMO Cc1noc([C@@H]2C[N@@H+](Cc3ccsc3)CCCN2C(=O)c2ccccc2)n1 ZINC000675022579 840908021 /nfs/dbraw/zinc/90/80/21/840908021.db2.gz QFUDAVQJLDSEKB-SFHVURJKSA-N 1 1 382.489 3.529 50 0 GHAAMO Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+]1CCCC[C@@H]1CCO)c1ccccc1 ZINC000002630979 861444931 /nfs/dbraw/zinc/44/49/31/861444931.db2.gz VESGNTBUUJOFAR-AOHZBQACSA-N 1 1 383.532 3.699 50 0 GHAAMO CCCC[N@@H+](C)CCCN1C(=O)c2ccccc2[C@H]1C(=O)NC1CCCCC1 ZINC000003048750 862144274 /nfs/dbraw/zinc/14/42/74/862144274.db2.gz LDUGOIZANFMLGZ-NRFANRHFSA-N 1 1 385.552 3.754 50 0 GHAAMO C[C@@H]1c2ccccc2C=C1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000253418150 855093791 /nfs/dbraw/zinc/09/37/91/855093791.db2.gz QHUMZJKTHROXNX-VQIMIIECSA-N 1 1 389.499 3.523 50 0 GHAAMO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120355387 862739773 /nfs/dbraw/zinc/73/97/73/862739773.db2.gz SRWGJUJTGYHOPW-QGZVFWFLSA-N 1 1 385.552 3.788 50 0 GHAAMO C[C@@H](CNC(=O)c1csc(Br)c1)[N@@H+]1CCc2sccc2C1 ZINC000031961542 862750179 /nfs/dbraw/zinc/75/01/79/862750179.db2.gz RMICDEZNVJIEPQ-JTQLQIEISA-N 1 1 385.352 3.749 50 0 GHAAMO C[C@@H](CNC(=O)c1csc(Br)c1)[N@H+]1CCc2sccc2C1 ZINC000031961542 862750185 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Fc1ccc(F)c(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000095373950 571062840 /nfs/dbraw/zinc/06/28/40/571062840.db2.gz IAFYVWCPXYDTDT-CDNPAEQRSA-N 1 1 398.453 3.756 50 0 GHAAMO Fc1ccc(F)c(C[N@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000095373950 571062842 /nfs/dbraw/zinc/06/28/42/571062842.db2.gz IAFYVWCPXYDTDT-CDNPAEQRSA-N 1 1 398.453 3.756 50 0 GHAAMO O=C(NCCCc1nc2ccc(F)cc2[nH]1)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095385324 571069986 /nfs/dbraw/zinc/06/99/86/571069986.db2.gz DMLCOPBLDMLEPF-QGZVFWFLSA-N 1 1 380.467 3.532 50 0 GHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cnc(C3CC3)nc2)C1 ZINC000095508658 571080364 /nfs/dbraw/zinc/08/03/64/571080364.db2.gz IUMAHWGGUBIJPD-LJQANCHMSA-N 1 1 392.547 3.689 50 0 GHAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(Cc1csc(C(C)=O)c1)CC2 ZINC000095511629 571082642 /nfs/dbraw/zinc/08/26/42/571082642.db2.gz PNCKPLQQWOXZJF-UHFFFAOYSA-N 1 1 386.565 3.823 50 0 GHAAMO CCc1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-n4ccnc4C)cc3)C2)on1 ZINC000095515351 571083429 /nfs/dbraw/zinc/08/34/29/571083429.db2.gz UFYQRJHRRZNJDG-KRWDZBQOSA-N 1 1 393.491 3.582 50 0 GHAAMO c1ccc(-c2nc(-c3cnccn3)no2)c(O[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000581790156 837611718 /nfs/dbraw/zinc/61/17/18/837611718.db2.gz MBBOROSTSWWHGJ-QGZVFWFLSA-N 1 1 391.475 3.979 50 0 GHAAMO COc1ccc(C2(C(=O)NCCc3[nH+]cc(C)n3Cc3ccccc3)CC2)cc1 ZINC000581817143 837717091 /nfs/dbraw/zinc/71/70/91/837717091.db2.gz SWBPJJRDTCSSEQ-UHFFFAOYSA-N 1 1 389.499 3.639 50 0 GHAAMO Cc1nc([C@H]2CCC[N@@H+](Cc3nc(-c4ccc(F)cc4)cs3)C2)cc(=O)[nH]1 ZINC000023368283 836798491 /nfs/dbraw/zinc/79/84/91/836798491.db2.gz KAQANXGAFWRZJD-HNNXBMFYSA-N 1 1 384.480 3.721 50 0 GHAAMO CS[C@H]1CC[C@@H]([N@H+](C)CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000078947781 838568505 /nfs/dbraw/zinc/56/85/05/838568505.db2.gz FSDANPVQGVNPJO-OLZOCXBDSA-N 1 1 382.378 3.983 50 0 GHAAMO CS[C@H]1CC[C@@H]([N@@H+](C)CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000078947781 838568546 /nfs/dbraw/zinc/56/85/46/838568546.db2.gz FSDANPVQGVNPJO-OLZOCXBDSA-N 1 1 382.378 3.983 50 0 GHAAMO COc1ccc(C[N@H+]2C[C@@H](COc3ccncc3)C3(C2)CCOCC3)cc1C ZINC000257174026 838683924 /nfs/dbraw/zinc/68/39/24/838683924.db2.gz BKMNLRVBTOLLCH-FQEVSTJZSA-N 1 1 382.504 3.706 50 0 GHAAMO Cc1nnc([C@H]2CC3(C[N@@H+]2CCc2ccccc2)CCN(C(=O)C(C)C)CC3)o1 ZINC000257192342 838958646 /nfs/dbraw/zinc/95/86/46/838958646.db2.gz TZIAWTSNHRVDFJ-HXUWFJFHSA-N 1 1 396.535 3.632 50 0 GHAAMO Cc1nc(NCc2ccc(C)cc2)sc1-c1ccn(CC[NH+]2CCOCC2)n1 ZINC000020599260 839959731 /nfs/dbraw/zinc/95/97/31/839959731.db2.gz KWJBAIHCZLZFNM-UHFFFAOYSA-N 1 1 397.548 3.568 50 0 GHAAMO Nc1ncccc1-c1cccc(C(=O)NCC[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000584886371 841167301 /nfs/dbraw/zinc/16/73/01/841167301.db2.gz WVXIYIDUXMEBEK-OAQYLSRUSA-N 1 1 386.499 3.550 50 0 GHAAMO Cc1cccnc1CN(Cc1ccccc1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000584889899 841171856 /nfs/dbraw/zinc/17/18/56/841171856.db2.gz FAJNIYLXCQHOJO-NRFANRHFSA-N 1 1 380.536 3.834 50 0 GHAAMO Cc1ccc(C)c(-c2csc(NC(=O)C[N@@H+]3CC[C@]4(C3)CCCOC4)n2)c1 ZINC000585081390 844799617 /nfs/dbraw/zinc/79/96/17/844799617.db2.gz UIAMKWRYAXAAHX-NRFANRHFSA-N 1 1 385.533 3.868 50 0 GHAAMO Cc1ccc(C)c(-c2csc(NC(=O)C[N@H+]3CC[C@]4(C3)CCCOC4)n2)c1 ZINC000585081390 844799623 /nfs/dbraw/zinc/79/96/23/844799623.db2.gz UIAMKWRYAXAAHX-NRFANRHFSA-N 1 1 385.533 3.868 50 0 GHAAMO COc1ccc(OC)c2[nH]c(C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc21 ZINC000253402911 855034792 /nfs/dbraw/zinc/03/47/92/855034792.db2.gz GTRSZTIXNFKAER-MAUKXSAKSA-N 1 1 385.508 3.522 50 0 biogenic GHAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000253403483 855038366 /nfs/dbraw/zinc/03/83/66/855038366.db2.gz HEUZUBRBBQVCSP-FUHWJXTLSA-N 1 1 384.442 3.851 50 0 biogenic GHAAMO COc1cc2cc(C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)n(C)c2cc1OC ZINC000253412583 855084082 /nfs/dbraw/zinc/08/40/82/855084082.db2.gz RKUZTSOBSJGTFW-FUHWJXTLSA-N 1 1 399.535 3.532 50 0 biogenic GHAAMO COc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(F)cc4F)[N@@H+]4CCC[C@@]34C2=O)cc1 ZINC000012479822 856033548 /nfs/dbraw/zinc/03/35/48/856033548.db2.gz HJZQDFLRZVYELR-YROCYRMSSA-N 1 1 398.453 3.911 50 0 GHAAMO COc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(F)cc4F)[N@H+]4CCC[C@@]34C2=O)cc1 ZINC000012479822 856033555 /nfs/dbraw/zinc/03/35/55/856033555.db2.gz HJZQDFLRZVYELR-YROCYRMSSA-N 1 1 398.453 3.911 50 0 GHAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000011933682 858215387 /nfs/dbraw/zinc/21/53/87/858215387.db2.gz LCDCSJRRFPXMJO-MRXNPFEDSA-N 1 1 378.432 3.713 50 0 GHAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000011933682 858215390 /nfs/dbraw/zinc/21/53/90/858215390.db2.gz LCDCSJRRFPXMJO-MRXNPFEDSA-N 1 1 378.432 3.713 50 0 GHAAMO O=C(CCc1c[nH]c2ccccc12)N[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012057313 858712770 /nfs/dbraw/zinc/71/27/70/858712770.db2.gz SDWWYBBKBLEZPV-OAQYLSRUSA-N 1 1 387.527 3.849 50 0 GHAAMO CCCc1nc2sc3c(ncnc3N3CC[NH+](CC)CC3)c2c2c1CCC2 ZINC000002448710 859452661 /nfs/dbraw/zinc/45/26/61/859452661.db2.gz HMXZMQVGTFTGSC-UHFFFAOYSA-N 1 1 381.549 3.823 50 0 GHAAMO O=c1cc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)nc2ccc(Cl)cn12 ZINC000012986466 859714455 /nfs/dbraw/zinc/71/44/55/859714455.db2.gz CYXODMUCANOJMC-INIZCTEOSA-N 1 1 389.908 3.591 50 0 GHAAMO O=c1cc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)nc2ccc(Cl)cn12 ZINC000012986466 859714463 /nfs/dbraw/zinc/71/44/63/859714463.db2.gz CYXODMUCANOJMC-INIZCTEOSA-N 1 1 389.908 3.591 50 0 GHAAMO O=C(c1ccccc1OC[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1)N1CCCC1 ZINC000169765222 859745785 /nfs/dbraw/zinc/74/57/85/859745785.db2.gz KQVHFYASLRQIKS-FQEVSTJZSA-N 1 1 394.515 3.919 50 0 GHAAMO CC(=O)N1CCC([C@H]2CC[N@@H+](Cc3cc(Br)ccc3F)C2)CC1 ZINC000169781508 859777904 /nfs/dbraw/zinc/77/79/04/859777904.db2.gz XUNUSIWQQOJOLH-HNNXBMFYSA-N 1 1 383.305 3.669 50 0 GHAAMO CN(C(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1)[C@@H]1CC[N@@H+](C)C1 ZINC000012301070 859789035 /nfs/dbraw/zinc/78/90/35/859789035.db2.gz WAFVJLHZJKRKJV-QGZVFWFLSA-N 1 1 383.879 3.848 50 0 GHAAMO Cc1ccncc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000614529562 859952173 /nfs/dbraw/zinc/95/21/73/859952173.db2.gz SUMAYMGWEXZXSK-BJKOFHAPSA-N 1 1 385.511 3.717 50 0 GHAAMO C[NH+](C)CCNCc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000022075545 860020331 /nfs/dbraw/zinc/02/03/31/860020331.db2.gz XUWCMNOWPKQRTO-UHFFFAOYSA-N 1 1 381.289 3.818 50 0 GHAAMO Cn1cnnc1C1CC[NH+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000328596164 860184259 /nfs/dbraw/zinc/18/42/59/860184259.db2.gz VMTOUFAMRZEUBO-HXUWFJFHSA-N 1 1 393.466 3.514 50 0 GHAAMO CC1CC[NH+]([C@@H](CNS(=O)(=O)c2ccccc2F)c2cccs2)CC1 ZINC000095350889 860554951 /nfs/dbraw/zinc/55/49/51/860554951.db2.gz LOVHTUWRYGQZCJ-INIZCTEOSA-N 1 1 382.526 3.639 50 0 GHAAMO c1ccc(-n2nc(C[N@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)c3c2CCC3)cc1 ZINC000095980436 860731836 /nfs/dbraw/zinc/73/18/36/860731836.db2.gz PDUFJJCYCHKFHW-QGZVFWFLSA-N 1 1 388.519 3.736 50 0 GHAAMO Cc1ccc([C@@H](C(=O)N(C)Cc2nccn2Cc2ccccc2)[NH+](C)C)cc1 ZINC000823646287 863135840 /nfs/dbraw/zinc/13/58/40/863135840.db2.gz JKDXVLHRTNCSBB-QFIPXVFZSA-N 1 1 376.504 3.501 50 0 GHAAMO COc1ccc(OC)c(NC(=O)N[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000824732012 864123488 /nfs/dbraw/zinc/12/34/88/864123488.db2.gz RUVHPHFNJGWMGB-AWEZNQCLSA-N 1 1 375.494 3.551 50 0 GHAAMO CC[C@H](C)[N@@H+](CCc1ccc2c(c1)CCO2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000173433551 865506711 /nfs/dbraw/zinc/50/67/11/865506711.db2.gz FUGHLUQCZAQFMT-INIZCTEOSA-N 1 1 377.488 3.701 50 0 GHAAMO Cc1ncsc1C[N@H+]1CCC[C@H](c2nc(CCOCc3ccccc3)no2)C1 ZINC000575316854 865991444 /nfs/dbraw/zinc/99/14/44/865991444.db2.gz IMZCZGLWWSFZAK-SFHVURJKSA-N 1 1 398.532 3.973 50 0 GHAAMO COc1ccc(C[N@H+]2CC[C@@H](n3c(C)cnc3C3CC3)C2)cc1Cn1cccn1 ZINC000575548101 866187760 /nfs/dbraw/zinc/18/77/60/866187760.db2.gz GQDRLFOFWCPCHT-OAQYLSRUSA-N 1 1 391.519 3.769 50 0 GHAAMO COc1ccc(C[N@H+]2CC[C@H](n3c(C)cnc3C3CC3)C2)cc1Cn1cccn1 ZINC000575548098 866187826 /nfs/dbraw/zinc/18/78/26/866187826.db2.gz GQDRLFOFWCPCHT-NRFANRHFSA-N 1 1 391.519 3.769 50 0 GHAAMO c1ccc(-c2nc(-c3cnccn3)no2)c(O[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000581790155 870005043 /nfs/dbraw/zinc/00/50/43/870005043.db2.gz MBBOROSTSWWHGJ-KRWDZBQOSA-N 1 1 391.475 3.979 50 0 GHAAMO c1ccc(-c2nc(-c3cnccn3)no2)c(O[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000581790166 870005415 /nfs/dbraw/zinc/00/54/15/870005415.db2.gz MFEVASXDXBMMFD-MRXNPFEDSA-N 1 1 377.448 3.589 50 0 GHAAMO O=C(/C=C/c1ccc(Br)cc1)NCC[N@H+]1CCc2ccccc2C1 ZINC000030319797 875987283 /nfs/dbraw/zinc/98/72/83/875987283.db2.gz OBFJGJXVGQBDRK-JXMROGBWSA-N 1 1 385.305 3.637 50 0 GHAAMO COc1cccc(SCC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3F)C2)c1 ZINC000952861133 904632645 /nfs/dbraw/zinc/63/26/45/904632645.db2.gz XTTHNXJHNNGHGP-MRXNPFEDSA-N 1 1 388.508 3.565 50 0 GHAAMO CCOc1ccc(C)cc1S(=O)(=O)N1CCCC[C@@H]1CCn1cc[nH+]c1C ZINC000952870011 904634177 /nfs/dbraw/zinc/63/41/77/904634177.db2.gz TZPVUOYSYAJERW-GOSISDBHSA-N 1 1 391.537 3.532 50 0 GHAAMO COCCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000952973877 904653245 /nfs/dbraw/zinc/65/32/45/904653245.db2.gz BWRFRUPEPKPCJF-KRWDZBQOSA-N 1 1 379.504 3.738 50 0 GHAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1S(=O)(=O)Cc1cccc(Cl)c1 ZINC000952980869 904661043 /nfs/dbraw/zinc/66/10/43/904661043.db2.gz XXDDMUAGJAMIAW-SFHVURJKSA-N 1 1 381.929 3.620 50 0 GHAAMO COc1ccccc1-c1ncc(CN2CCC[N@@H+](Cc3cccs3)CC2)cn1 ZINC000952982406 904668509 /nfs/dbraw/zinc/66/85/09/904668509.db2.gz OXLLTPYPEDDSTH-UHFFFAOYSA-N 1 1 394.544 3.922 50 0 GHAAMO Cc1ccc2[nH]c(CCCNC(=O)[C@H](c3ccccc3C)[NH+](C)C)nc2c1C ZINC000952985428 904671688 /nfs/dbraw/zinc/67/16/88/904671688.db2.gz AGRAMVVNYSCMLX-QFIPXVFZSA-N 1 1 378.520 3.840 50 0 GHAAMO C[C@@H]1C[N@@H+](CCNC(=O)/C=C\c2ccc(Cl)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000098004079 916071455 /nfs/dbraw/zinc/07/14/55/916071455.db2.gz YXLWCBXPBUWEQS-RWBPYIHSSA-N 1 1 390.833 3.597 50 0 GHAAMO C[C@@H]1C[N@H+](CCNC(=O)/C=C\c2ccc(Cl)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000098004079 916071468 /nfs/dbraw/zinc/07/14/68/916071468.db2.gz YXLWCBXPBUWEQS-RWBPYIHSSA-N 1 1 390.833 3.597 50 0 GHAAMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000098055290 916132451 /nfs/dbraw/zinc/13/24/51/916132451.db2.gz CYRNHZVBSMQEHF-WCGJLGJJSA-N 1 1 396.453 3.819 50 0 GHAAMO Cc1cc(=O)oc(C)c1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012717641 919299639 /nfs/dbraw/zinc/29/96/39/919299639.db2.gz QJOYBVZGRXIIME-HSZRJFAPSA-N 1 1 398.478 3.524 50 0 GHAAMO COc1ccc(-c2nc(C[N@@H+](C[C@@H]3CCC(=O)N3)C(C)C)c(C)o2)c(C)c1C ZINC000013593139 919325884 /nfs/dbraw/zinc/32/58/84/919325884.db2.gz QOUUHNVBRVEJFJ-KRWDZBQOSA-N 1 1 385.508 3.764 50 0 GHAAMO CCN(CC)CC[N@@H+](CC)[C@@H]1CCC(=O)N(Cc2cccc(Cl)c2)CC1 ZINC000020166734 919615236 /nfs/dbraw/zinc/61/52/36/919615236.db2.gz XQSQUXPTXKMFKI-HXUWFJFHSA-N 1 1 379.976 3.885 50 0 GHAAMO CN(Cc1ccc2nsnc2c1)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000020212121 919616842 /nfs/dbraw/zinc/61/68/42/919616842.db2.gz RGRFEQBUYONHCP-IBGZPJMESA-N 1 1 378.545 3.755 50 0 GHAAMO 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50 0 GHAAMO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000020910756 570284152 /nfs/dbraw/zinc/28/41/52/570284152.db2.gz NLOGQTSKYAXHGO-SFHVURJKSA-N 1 1 376.460 3.633 50 0 GHAAMO O=C(Cc1csc(-c2ccc(F)cc2)n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012898370 570287289 /nfs/dbraw/zinc/28/72/89/570287289.db2.gz KOBIHUXZWZYGKV-UHFFFAOYSA-N 1 1 395.503 3.836 50 0 GHAAMO C[N@@H+](CCOC(=O)COc1ccc(Br)cc1)Cc1ccccc1 ZINC000002891978 570317036 /nfs/dbraw/zinc/31/70/36/570317036.db2.gz JEJXWUIQRKTNND-UHFFFAOYSA-N 1 1 378.266 3.503 50 0 GHAAMO CC(C)[C@@H](NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000022437586 570317199 /nfs/dbraw/zinc/31/71/99/570317199.db2.gz RMUDDQXNTZLGLC-JOCHJYFZSA-N 1 1 381.520 3.715 50 0 GHAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1OC[C@@H]1CCCO1 ZINC000022692622 570324875 /nfs/dbraw/zinc/32/48/75/570324875.db2.gz HMEFYLYEBVQDRN-ICSRJNTNSA-N 1 1 398.503 3.794 50 0 GHAAMO Cc1sc2ncnc(NC[C@H](c3cccs3)[NH+]3CCN(C)CC3)c2c1C ZINC000022804250 570329192 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393.553 3.503 50 0 GHAAMO COc1cc2c(cc1CN1CC[N@@H+](C)[C@@H](CCO)C1)oc(C)c2-c1ccccc1 ZINC000023358117 570356453 /nfs/dbraw/zinc/35/64/53/570356453.db2.gz LIWIMJKTQGFECT-FQEVSTJZSA-N 1 1 394.515 3.915 50 0 GHAAMO O=C(NCCc1ccccc1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000390826731 570357273 /nfs/dbraw/zinc/35/72/73/570357273.db2.gz BIGTZVFWQRWBCF-GSPCLOLRSA-N 1 1 379.548 3.834 50 0 GHAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Cl)s1)c1cc2ccccc2o1 ZINC000575620601 570369842 /nfs/dbraw/zinc/36/98/42/570369842.db2.gz LGCSQWHZPYBWBL-LBPRGKRZSA-N 1 1 384.910 3.729 50 0 GHAAMO c1ccc(-n2nnnc2C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000023937014 570375408 /nfs/dbraw/zinc/37/54/08/570375408.db2.gz DSYOBWFCBITEJB-HNNXBMFYSA-N 1 1 376.489 3.652 50 0 GHAAMO c1ccc(-n2nnnc2C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000023937014 570375411 /nfs/dbraw/zinc/37/54/11/570375411.db2.gz DSYOBWFCBITEJB-HNNXBMFYSA-N 1 1 376.489 3.652 50 0 GHAAMO CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229723461 570378250 /nfs/dbraw/zinc/37/82/50/570378250.db2.gz XLGMAKFXAOFTML-UYAOXDASSA-N 1 1 380.536 3.621 50 0 GHAAMO C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@@H](O)COc1ccccc1C(C)(C)C ZINC000032888201 570396509 /nfs/dbraw/zinc/39/65/09/570396509.db2.gz KGKYSNUXHWRPCH-GOSISDBHSA-N 1 1 385.504 3.627 50 0 GHAAMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000026924830 570429980 /nfs/dbraw/zinc/42/99/80/570429980.db2.gz OPTVQJUVXQHOFY-AWEZNQCLSA-N 1 1 394.924 3.765 50 0 GHAAMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000026924830 570429982 /nfs/dbraw/zinc/42/99/82/570429982.db2.gz OPTVQJUVXQHOFY-AWEZNQCLSA-N 1 1 394.924 3.765 50 0 GHAAMO CN(C)C1(CNC(=O)c2ccc(Cl)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000027580355 570436181 /nfs/dbraw/zinc/43/61/81/570436181.db2.gz PVIAWIRXPOVGPR-UHFFFAOYSA-N 1 1 385.939 3.666 50 0 GHAAMO C[NH+](C)[C@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)c1cccs1 ZINC000027677279 570440210 /nfs/dbraw/zinc/44/02/10/570440210.db2.gz SCWDTFGBFAZEFY-CYBMUJFWSA-N 1 1 376.865 3.541 50 0 GHAAMO C[N@@H+]1CCN(C(=O)c2cccc(NC(=O)C(C)(C)C)c2)[C@H](c2ccccc2)C1 ZINC000030030736 570485610 /nfs/dbraw/zinc/48/56/10/570485610.db2.gz XOBAMEJDIFIRIO-FQEVSTJZSA-N 1 1 379.504 3.800 50 0 GHAAMO C[N@H+]1CCN(C(=O)c2cccc(NC(=O)C(C)(C)C)c2)[C@H](c2ccccc2)C1 ZINC000030030736 570485616 /nfs/dbraw/zinc/48/56/16/570485616.db2.gz XOBAMEJDIFIRIO-FQEVSTJZSA-N 1 1 379.504 3.800 50 0 GHAAMO COc1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000030955138 570502353 /nfs/dbraw/zinc/50/23/53/570502353.db2.gz HHWDBCQSZNNTEA-UHFFFAOYSA-N 1 1 392.459 3.596 50 0 GHAAMO CC[N@@H+](CC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C)C[C@@H](O)c1ccc(C)cc1 ZINC000072304971 570515030 /nfs/dbraw/zinc/51/50/30/570515030.db2.gz PYIYUMSDBPBNDI-ISKFKSNPSA-N 1 1 398.547 3.872 50 0 GHAAMO CC[N@H+](CC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C)C[C@@H](O)c1ccc(C)cc1 ZINC000072304971 570515033 /nfs/dbraw/zinc/51/50/33/570515033.db2.gz PYIYUMSDBPBNDI-ISKFKSNPSA-N 1 1 398.547 3.872 50 0 GHAAMO O=C(c1cccc(OC(F)(F)C(F)F)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033682487 570528312 /nfs/dbraw/zinc/52/83/12/570528312.db2.gz IXLAEZARKTVIMV-UHFFFAOYSA-N 1 1 396.384 3.881 50 0 GHAAMO Cc1ccccc1-c1ncc(CN2CC[N@H+](C3CCCCC3)[C@H](CCO)C2)cn1 ZINC000036385566 570564675 /nfs/dbraw/zinc/56/46/75/570564675.db2.gz YLVPWJHTZXDMCU-JOCHJYFZSA-N 1 1 394.563 3.653 50 0 GHAAMO Cc1ccccc1NC(=S)N[C@H](C)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022928322 570631799 /nfs/dbraw/zinc/63/17/99/570631799.db2.gz UIIRGULKCJQLCM-WIYYLYMNSA-N 1 1 382.577 3.659 50 0 GHAAMO COc1ccc([C@@](C)(O)[C@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000012383707 570650246 /nfs/dbraw/zinc/65/02/46/570650246.db2.gz XTBFRNVBMLNREL-NHCUHLMSSA-N 1 1 375.896 3.672 50 0 GHAAMO CC[N@H+]1CCC[C@@H]1Cn1c(C)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1N ZINC000012411944 570656125 /nfs/dbraw/zinc/65/61/25/570656125.db2.gz QLLWJKFVKNKSOY-MRXNPFEDSA-N 1 1 395.956 3.658 50 0 GHAAMO CC[N@H+]1CCCC[C@@H]1C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 ZINC000012435965 570662220 /nfs/dbraw/zinc/66/22/20/570662220.db2.gz CNVNQDQBHKNYAL-GOSISDBHSA-N 1 1 375.419 3.643 50 0 GHAAMO CC(C)CN(C)C(=O)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000012590526 570687032 /nfs/dbraw/zinc/68/70/32/570687032.db2.gz RDMUFMSNANYBOU-SFHVURJKSA-N 1 1 398.551 3.623 50 0 GHAAMO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c(C)c1 ZINC000017305839 570703513 /nfs/dbraw/zinc/70/35/13/570703513.db2.gz LIBIUPMIAJOPEO-SFHVURJKSA-N 1 1 377.492 3.824 50 0 GHAAMO Cc1cc(C)c(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c(C)c1 ZINC000017305839 570703514 /nfs/dbraw/zinc/70/35/14/570703514.db2.gz LIBIUPMIAJOPEO-SFHVURJKSA-N 1 1 377.492 3.824 50 0 GHAAMO COc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)cc1OC ZINC000012718248 570705460 /nfs/dbraw/zinc/70/54/60/570705460.db2.gz AFQAUGREIPECAL-OAQYLSRUSA-N 1 1 396.531 3.873 50 0 GHAAMO Cc1csc(C2([NH2+]CC(=O)N3CCC[C@@H](C(F)(F)F)C3)CCCC2)n1 ZINC000170025168 570789411 /nfs/dbraw/zinc/78/94/11/570789411.db2.gz RPWLXYDSEJPPHX-CYBMUJFWSA-N 1 1 375.460 3.611 50 0 GHAAMO CC[NH+](CC)[C@H](CNc1nn2c(nc(C)cc2=O)s1)c1ccccc1Cl ZINC000014246803 570837228 /nfs/dbraw/zinc/83/72/28/570837228.db2.gz OKFLFJKUQWFQCX-OAHLLOKOSA-N 1 1 391.928 3.608 50 0 GHAAMO CC1CC[NH+](Cc2ccc(Cn3c(=O)c4ccccc4[nH]c3=S)cc2)CC1 ZINC000012540493 570840668 /nfs/dbraw/zinc/84/06/68/570840668.db2.gz UOKVHDDVTLRXSV-UHFFFAOYSA-N 1 1 379.529 3.965 50 0 GHAAMO CC(C)CN1C(=O)N(C)C2(CC[NH+](C/C(Cl)=C/c3ccccc3)CC2)C1=O ZINC000014532004 570847492 /nfs/dbraw/zinc/84/74/92/570847492.db2.gz PFXOGQKIIXELEO-AQTBWJFISA-N 1 1 389.927 3.651 50 0 GHAAMO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC(C)C)C[N@H+](Cc3ccccc3)C2)cn1 ZINC000014541669 570849168 /nfs/dbraw/zinc/84/91/68/570849168.db2.gz SYEAYSGIYFVYKX-FCHUYYIVSA-N 1 1 395.547 3.679 50 0 GHAAMO Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)c(=O)[nH]1 ZINC000015073304 570877806 /nfs/dbraw/zinc/87/78/06/570877806.db2.gz VYOSKZLNOSEWRY-HSZRJFAPSA-N 1 1 385.552 3.582 50 0 GHAAMO CN1CCN(C(=O)CC[C@@H]2CCC[N@@H+](Cc3ccccc3-c3ccco3)C2)CC1 ZINC000015078538 570878800 /nfs/dbraw/zinc/87/88/00/570878800.db2.gz KYSNWKSOMJGGHD-FQEVSTJZSA-N 1 1 395.547 3.713 50 0 GHAAMO c1ccc(CN2CC[C@@H]2c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc1 ZINC000097101334 570894766 /nfs/dbraw/zinc/89/47/66/570894766.db2.gz IOIHNRXGPGHQOT-OAQYLSRUSA-N 1 1 390.487 3.516 50 0 GHAAMO Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000032902905 570901175 /nfs/dbraw/zinc/90/11/75/570901175.db2.gz NYCMSLKFZAXALF-UHFFFAOYSA-N 1 1 382.508 3.623 50 0 GHAAMO C[C@H](CNC(=O)c1cc(Br)ccc1F)[N@H+]1CCc2ccccc2C1 ZINC000025640764 570902136 /nfs/dbraw/zinc/90/21/36/570902136.db2.gz PPKNEZIKYKYLIQ-CYBMUJFWSA-N 1 1 391.284 3.765 50 0 GHAAMO CC[N@H+]1CCC[C@H]1CNC(=S)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000032909093 570910255 /nfs/dbraw/zinc/91/02/55/570910255.db2.gz OWEWYUVKUZQWHC-RXVVDRJESA-N 1 1 393.560 3.601 50 0 GHAAMO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000032909093 570910257 /nfs/dbraw/zinc/91/02/57/570910257.db2.gz OWEWYUVKUZQWHC-RXVVDRJESA-N 1 1 393.560 3.601 50 0 GHAAMO CC[N@H+]1CCC[C@H]1CNC(=S)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000032909093 570910260 /nfs/dbraw/zinc/91/02/60/570910260.db2.gz OWEWYUVKUZQWHC-RXVVDRJESA-N 1 1 393.560 3.601 50 0 GHAAMO O=C(c1ccc2nccnc2c1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000263586336 570918916 /nfs/dbraw/zinc/91/89/16/570918916.db2.gz STDPRNKBBZELOM-TWRVUUBYSA-N 1 1 388.515 3.665 50 0 biogenic GHAAMO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000016343956 570922910 /nfs/dbraw/zinc/92/29/10/570922910.db2.gz UCQYLJNEDDBZTE-HXUWFJFHSA-N 1 1 398.478 3.783 50 0 GHAAMO CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000016343956 570922912 /nfs/dbraw/zinc/92/29/12/570922912.db2.gz UCQYLJNEDDBZTE-HXUWFJFHSA-N 1 1 398.478 3.783 50 0 GHAAMO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000016343927 570922918 /nfs/dbraw/zinc/92/29/18/570922918.db2.gz YYHLELJWHOSZTD-OAQYLSRUSA-N 1 1 394.515 3.952 50 0 GHAAMO Cc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000016343927 570922920 /nfs/dbraw/zinc/92/29/20/570922920.db2.gz YYHLELJWHOSZTD-OAQYLSRUSA-N 1 1 394.515 3.952 50 0 GHAAMO CC(=O)c1ccc(-c2ccc(C(=O)N3CC([N@@H+]4CCCC[C@@H]4C)C3)cc2)nc1 ZINC000534676937 570922952 /nfs/dbraw/zinc/92/29/52/570922952.db2.gz FAUYSKXVWAATAR-INIZCTEOSA-N 1 1 377.488 3.650 50 0 GHAAMO C[C@@H](NC(=O)C1CC1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023181442 570943967 /nfs/dbraw/zinc/94/39/67/570943967.db2.gz SNXVFWOKNAKOTF-FOIQADDNSA-N 1 1 387.524 3.665 50 0 GHAAMO C[C@H](NC(=O)C1CC1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023181452 570944009 /nfs/dbraw/zinc/94/40/09/570944009.db2.gz SNXVFWOKNAKOTF-YWZLYKJASA-N 1 1 387.524 3.665 50 0 GHAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)ccn1 ZINC000032931308 570945025 /nfs/dbraw/zinc/94/50/25/570945025.db2.gz REJNFPDNRZFZDR-AWEZNQCLSA-N 1 1 384.867 3.621 50 0 GHAAMO CCc1ccccc1NC(=O)CSc1nnc([C@@H]([NH3+])Cc2ccccc2)o1 ZINC000001273472 570952688 /nfs/dbraw/zinc/95/26/88/570952688.db2.gz ZLNAEBDHOVVFIM-INIZCTEOSA-N 1 1 382.489 3.605 50 0 aggregator GHAAMO O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000106530845 570964295 /nfs/dbraw/zinc/96/42/95/570964295.db2.gz DKYRKMDFFXPMNF-NHCUHLMSSA-N 1 1 395.522 3.680 50 0 GHAAMO C[C@H](CC(=O)O[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC(=O)C1CCCC1 ZINC000252511244 570981092 /nfs/dbraw/zinc/98/10/92/570981092.db2.gz FIOKYDCEBMZPJI-LQWHRVPQSA-N 1 1 386.536 3.525 50 0 GHAAMO C[N@@H+]1CCc2nc[nH]c2C12CCN(Cc1ccc3cccc(Cl)c3n1)CC2 ZINC000091364656 571004513 /nfs/dbraw/zinc/00/45/13/571004513.db2.gz FPUGQTIVWIDLJW-UHFFFAOYSA-N 1 1 381.911 3.591 50 0 GHAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(Cc1ccc3cccc(Cl)c3n1)CC2 ZINC000091364656 571004515 /nfs/dbraw/zinc/00/45/15/571004515.db2.gz FPUGQTIVWIDLJW-UHFFFAOYSA-N 1 1 381.911 3.591 50 0 GHAAMO C[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(CO)cc3)CC2)C1 ZINC000091586408 571015359 /nfs/dbraw/zinc/01/53/59/571015359.db2.gz QUIBYCXYEOCDCK-JOCHJYFZSA-N 1 1 378.516 3.521 50 0 GHAAMO CC(C)c1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CCCc2ccccc2)C3)on1 ZINC000091625930 571019756 /nfs/dbraw/zinc/01/97/56/571019756.db2.gz XQUVJZUHULZVQM-VQTJNVASSA-N 1 1 381.520 3.967 50 0 GHAAMO Cc1cnc(CN2C[C@]3(CCC[N@@H+](Cc4c(C)cccc4C)C3)CCC2=O)cn1 ZINC000091646162 571022344 /nfs/dbraw/zinc/02/23/44/571022344.db2.gz WIUMBHHUEYKKQT-XMMPIXPASA-N 1 1 392.547 3.807 50 0 GHAAMO CCCn1ccnc1C[NH+]1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1 ZINC000095356722 571052377 /nfs/dbraw/zinc/05/23/77/571052377.db2.gz PWGKFFZPDRVKTR-UHFFFAOYSA-N 1 1 394.563 3.740 50 0 GHAAMO CC(=O)c1cc(CC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)cs1 ZINC000095370600 571060831 /nfs/dbraw/zinc/06/08/31/571060831.db2.gz UIWQEKNZVYZMIG-AZUAARDMSA-N 1 1 382.529 3.616 50 0 GHAAMO Cc1ccccc1-c1cccc(NC(=O)N2CCC([NH+]3CCOCC3)CC2)c1 ZINC000095525733 571090557 /nfs/dbraw/zinc/09/05/57/571090557.db2.gz QZPSAFVYZVTVCB-UHFFFAOYSA-N 1 1 379.504 3.991 50 0 GHAAMO C[N@H+](C[C@@H](O)COc1cccc(CN2CCC(F)(F)CC2)c1)C1CCCCC1 ZINC000095527312 571091619 /nfs/dbraw/zinc/09/16/19/571091619.db2.gz AEFWPCVLDDHPGN-HXUWFJFHSA-N 1 1 396.522 3.922 50 0 GHAAMO C[N@@H+](C[C@@H](O)COc1cccc(CN2CCC(F)(F)CC2)c1)C1CCCCC1 ZINC000095527312 571091620 /nfs/dbraw/zinc/09/16/20/571091620.db2.gz AEFWPCVLDDHPGN-HXUWFJFHSA-N 1 1 396.522 3.922 50 0 GHAAMO O=C(Cc1ccccc1F)Nc1ccc2c(c1)C[N@@H+](Cc1ccncc1)CC2 ZINC000019939417 839869807 /nfs/dbraw/zinc/86/98/07/839869807.db2.gz FHXUHQWLDDIOKA-UHFFFAOYSA-N 1 1 375.447 3.960 50 0 GHAAMO O=C(Cc1ccccc1F)Nc1ccc2c(c1)C[N@H+](Cc1ccncc1)CC2 ZINC000019939417 839869821 /nfs/dbraw/zinc/86/98/21/839869821.db2.gz FHXUHQWLDDIOKA-UHFFFAOYSA-N 1 1 375.447 3.960 50 0 GHAAMO Cc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000675011968 840862496 /nfs/dbraw/zinc/86/24/96/840862496.db2.gz ZUEXXISFXLLWSO-KGLIPLIRSA-N 1 1 379.382 3.521 50 0 GHAAMO CSCC[NH+]1CCN(C(=O)N[C@H](c2cccs2)c2ccccc2C)CC1 ZINC000584884559 841160115 /nfs/dbraw/zinc/16/01/15/841160115.db2.gz YZGGVEVWKHLQOY-IBGZPJMESA-N 1 1 389.590 3.836 50 0 GHAAMO Nc1ncccc1-c1cccc(C(=O)NCC[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000584886370 841167756 /nfs/dbraw/zinc/16/77/56/841167756.db2.gz WVXIYIDUXMEBEK-NRFANRHFSA-N 1 1 386.499 3.550 50 0 GHAAMO COc1ccccc1-c1noc(C2CC[NH+](Cc3cc4n(n3)CCCC4)CC2)n1 ZINC000888094377 842467155 /nfs/dbraw/zinc/46/71/55/842467155.db2.gz QVATWVDPIYVOKN-UHFFFAOYSA-N 1 1 393.491 3.658 50 0 GHAAMO Cc1[nH+]ccn1Cc1cccc(-c2noc([C@H](C)NC(=O)CC(C)(C)C)n2)c1 ZINC000585084037 844788341 /nfs/dbraw/zinc/78/83/41/844788341.db2.gz JMJIVSNLTNIXPS-AWEZNQCLSA-N 1 1 381.480 3.903 50 0 GHAAMO Cc1ccc2[nH]c(SCC(=O)N[C@@H](C)C[N@H+]3CCc4ccccc4C3)nc2c1 ZINC000821789289 862472312 /nfs/dbraw/zinc/47/23/12/862472312.db2.gz WMHXVPSRKGLUEG-INIZCTEOSA-N 1 1 394.544 3.526 50 0 GHAAMO Cc1ccc2nc(SCC(=O)N[C@@H](C)C[N@@H+]3CCc4ccccc4C3)[nH]c2c1 ZINC000821789289 862472321 /nfs/dbraw/zinc/47/23/21/862472321.db2.gz WMHXVPSRKGLUEG-INIZCTEOSA-N 1 1 394.544 3.526 50 0 GHAAMO Cc1ccc2nc(SCC(=O)N[C@@H](C)C[N@H+]3CCc4ccccc4C3)[nH]c2c1 ZINC000821789289 862472326 /nfs/dbraw/zinc/47/23/26/862472326.db2.gz WMHXVPSRKGLUEG-INIZCTEOSA-N 1 1 394.544 3.526 50 0 GHAAMO Clc1ccc(OCC[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c(Cl)c1 ZINC000171624270 862548845 /nfs/dbraw/zinc/54/88/45/862548845.db2.gz RBHMDGPJMYGAHS-ZDUSSCGKSA-N 1 1 381.307 3.790 50 0 GHAAMO COc1cccc2ccn(CCC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)c21 ZINC000253412170 855082573 /nfs/dbraw/zinc/08/25/73/855082573.db2.gz QCAFGKYIBBPHLM-VQTJNVASSA-N 1 1 383.536 3.763 50 0 biogenic GHAAMO CC[C@H](C)c1ccccc1OCC(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000822662318 862794530 /nfs/dbraw/zinc/79/45/30/862794530.db2.gz YWAWCAOOFZGDPJ-IBGZPJMESA-N 1 1 381.520 3.708 50 0 GHAAMO CC[C@H](C)c1ccccc1OCC(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000822662318 862794540 /nfs/dbraw/zinc/79/45/40/862794540.db2.gz YWAWCAOOFZGDPJ-IBGZPJMESA-N 1 1 381.520 3.708 50 0 GHAAMO CCCCn1c(C[N@H+](C)C(C2CC2)C2CC2)cnc1S(=O)(=O)CC1CCC1 ZINC000011819758 857421734 /nfs/dbraw/zinc/42/17/34/857421734.db2.gz MEWVQJKGEZEICZ-UHFFFAOYSA-N 1 1 393.597 3.877 50 0 GHAAMO CCCCn1c(C[N@@H+](C)C(C2CC2)C2CC2)cnc1S(=O)(=O)CC1CCC1 ZINC000011819758 857421737 /nfs/dbraw/zinc/42/17/37/857421737.db2.gz MEWVQJKGEZEICZ-UHFFFAOYSA-N 1 1 393.597 3.877 50 0 GHAAMO CC(C)CC[N@@H+](C1CCOCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000169760565 859730465 /nfs/dbraw/zinc/73/04/65/859730465.db2.gz YJDBRLXLNVFMBY-UHFFFAOYSA-N 1 1 376.516 3.957 50 0 GHAAMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cccc(OCc3cccnc3)c2)C1 ZINC000328591665 860176581 /nfs/dbraw/zinc/17/65/81/860176581.db2.gz ITXHXYJIVWNOKA-UHFFFAOYSA-N 1 1 387.483 3.617 50 0 GHAAMO CSc1ccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)NC4CCCC4)nn3)C2)cc1 ZINC000014984092 860241462 /nfs/dbraw/zinc/24/14/62/860241462.db2.gz QRGXLLOTNNGGNE-GOSISDBHSA-N 1 1 399.564 3.510 50 0 GHAAMO C[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(CCNC(=O)/C=C/c2ccccc2)CC1 ZINC000020241350 860525152 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GHAAMO C[C@H](NC(=O)c1cccc(Cl)c1)[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000022460011 861126670 /nfs/dbraw/zinc/12/66/70/861126670.db2.gz CBSHKRGBEYFKGH-KBXCAEBGSA-N 1 1 377.941 3.509 50 0 GHAAMO CCc1nc(C)c(C[N@H+]2CCC[C@H](CNC(=O)c3ccc4ncsc4c3)C2)[nH]1 ZINC000823550019 863126534 /nfs/dbraw/zinc/12/65/34/863126534.db2.gz PESWCDHNTFWPJS-OAHLLOKOSA-N 1 1 397.548 3.532 50 0 GHAAMO Fc1cc(-c2ccncc2)ccc1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185078802 865182311 /nfs/dbraw/zinc/18/23/11/865182311.db2.gz JHTUUBYREIVJJP-UHFFFAOYSA-N 1 1 396.441 3.548 50 0 GHAAMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000174543686 865899985 /nfs/dbraw/zinc/89/99/85/865899985.db2.gz HNVHYYDZINVCHF-ZDUSSCGKSA-N 1 1 381.307 3.593 50 0 GHAAMO Clc1ccc(-c2noc(CC[N@H+]3CCCN(c4ccccn4)CC3)n2)cc1 ZINC000183781627 867836124 /nfs/dbraw/zinc/83/61/24/867836124.db2.gz YSHUGIWQNDTIHS-UHFFFAOYSA-N 1 1 383.883 3.540 50 0 GHAAMO C[N@@H+](Cc1ccccc1)[C@@H]1CCOC2(CCN(C(=O)c3ccccc3)CC2)C1 ZINC000581784409 869982364 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0 GHAAMO C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C2)CC1 ZINC000952972656 904651273 /nfs/dbraw/zinc/65/12/73/904651273.db2.gz WJTHJXIBZHRHQF-OAQYLSRUSA-N 1 1 375.560 3.717 50 0 GHAAMO CN1CCN(C[C@H]2CCC[N@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C2)CC1 ZINC000952972656 904651283 /nfs/dbraw/zinc/65/12/83/904651283.db2.gz WJTHJXIBZHRHQF-OAQYLSRUSA-N 1 1 375.560 3.717 50 0 GHAAMO CN1CCN(C[C@H]2CCC[N@@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C2)CC1 ZINC000952972656 904651288 /nfs/dbraw/zinc/65/12/88/904651288.db2.gz WJTHJXIBZHRHQF-OAQYLSRUSA-N 1 1 375.560 3.717 50 0 GHAAMO Cc1cc(C[N@@H+](C)Cc2ccc(-c3nc(-c4cccnc4)cc(=O)[nH]3)cc2)ccn1 ZINC000097529112 915658474 /nfs/dbraw/zinc/65/84/74/915658474.db2.gz JMPLTZLTLHUBPU-UHFFFAOYSA-N 1 1 397.482 3.834 50 0 GHAAMO COc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1OC ZINC000012712576 919299143 /nfs/dbraw/zinc/29/91/43/919299143.db2.gz JDDYDHMHACWSBJ-SFHVURJKSA-N 1 1 386.467 3.580 50 0 GHAAMO COc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc1OC ZINC000012712576 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378.831 3.709 50 0 GHAAMO COc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000008310294 204271177 /nfs/dbraw/zinc/27/11/77/204271177.db2.gz KJALLAUPVUNDNE-LJQANCHMSA-N 1 1 382.460 3.632 50 0 GHAAMO COc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000008310294 204271181 /nfs/dbraw/zinc/27/11/81/204271181.db2.gz KJALLAUPVUNDNE-LJQANCHMSA-N 1 1 382.460 3.632 50 0 GHAAMO Cc1cccc(-n2ccnc2C[N@@H+]2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)c1 ZINC000011935250 204362317 /nfs/dbraw/zinc/36/23/17/204362317.db2.gz IIQFZTIXNPBSGQ-IBGZPJMESA-N 1 1 390.487 3.986 50 0 GHAAMO Cc1cccc(-n2ccnc2C[N@H+]2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)c1 ZINC000011935250 204362321 /nfs/dbraw/zinc/36/23/21/204362321.db2.gz IIQFZTIXNPBSGQ-IBGZPJMESA-N 1 1 390.487 3.986 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)C4=CCCC4)C3)C2)c1OC ZINC000012049961 204368472 /nfs/dbraw/zinc/36/84/72/204368472.db2.gz QMEDLBZSOYGSFM-HSZRJFAPSA-N 1 1 384.520 3.629 50 0 GHAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3ccco3)C2)c(OC)c1 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GHAAMO Nc1cncc(-c2cccc(C(=O)N[C@@H]3CCC[N@H+](C4CCCCC4)C3)c2)c1 ZINC000426707106 534745139 /nfs/dbraw/zinc/74/51/39/534745139.db2.gz BLOWFAYGFLMXTD-OAQYLSRUSA-N 1 1 378.520 3.858 50 0 GHAAMO COc1cccc(-c2ccc(N3CCC([N@H+]4CCN(C)[C@@H](C)C4)CC3)cc2)c1 ZINC000063883065 537065530 /nfs/dbraw/zinc/06/55/30/537065530.db2.gz HJBAFFNSMJKJHZ-IBGZPJMESA-N 1 1 379.548 3.967 50 0 GHAAMO Cc1ccc(C(C)C)c(OC[C@@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000019721067 570211376 /nfs/dbraw/zinc/21/13/76/570211376.db2.gz VWDGESCGHQWYKL-QFIPXVFZSA-N 1 1 382.548 3.676 50 0 GHAAMO COc1cccc(C[N@@H+]2CCN(Cc3[nH]c4ccccc4c3C)C[C@H]2CCO)c1 ZINC000096851288 570232888 /nfs/dbraw/zinc/23/28/88/570232888.db2.gz SRRDDVJEAOYKJN-HXUWFJFHSA-N 1 1 393.531 3.554 50 0 GHAAMO COc1cccc(C[N@H+]2CCN(Cc3[nH]c4ccccc4c3C)C[C@H]2CCO)c1 ZINC000096851288 570232890 /nfs/dbraw/zinc/23/28/90/570232890.db2.gz SRRDDVJEAOYKJN-HXUWFJFHSA-N 1 1 393.531 3.554 50 0 GHAAMO COc1cccc(CN2CC[N@H+](Cc3[nH]c4ccccc4c3C)C[C@H]2CCO)c1 ZINC000096851288 570232893 /nfs/dbraw/zinc/23/28/93/570232893.db2.gz SRRDDVJEAOYKJN-HXUWFJFHSA-N 1 1 393.531 3.554 50 0 GHAAMO COc1cccc(CN2CC[N@@H+](Cc3[nH]c4ccccc4c3C)C[C@H]2CCO)c1 ZINC000096851288 570232895 /nfs/dbraw/zinc/23/28/95/570232895.db2.gz SRRDDVJEAOYKJN-HXUWFJFHSA-N 1 1 393.531 3.554 50 0 GHAAMO O=C(COC1CCCC1)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000048369019 570248382 /nfs/dbraw/zinc/24/83/82/570248382.db2.gz HCYORHZUUWKFNE-UHFFFAOYSA-N 1 1 384.442 3.745 50 0 GHAAMO O=C(c1ccc2nonc2c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020443750 570255906 /nfs/dbraw/zinc/25/59/06/570255906.db2.gz LMDWQESLWKYSPS-UHFFFAOYSA-N 1 1 398.466 3.770 50 0 GHAAMO C[N@@H+]1[C@@H](c2ccccc2F)[C@@H](CNCc2coc(-c3ccccc3)n2)C[C@H]1CO ZINC000020451557 570257162 /nfs/dbraw/zinc/25/71/62/570257162.db2.gz WHJHVBBVPCHUKE-ZWCUEREDSA-N 1 1 395.478 3.624 50 0 GHAAMO CN1[C@@H](c2ccccc2F)[C@@H](C[NH2+]Cc2coc(-c3ccccc3)n2)C[C@H]1CO ZINC000020451557 570257167 /nfs/dbraw/zinc/25/71/67/570257167.db2.gz WHJHVBBVPCHUKE-ZWCUEREDSA-N 1 1 395.478 3.624 50 0 GHAAMO O=C(C[NH+]1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)NC1CCCCC1 ZINC000049377762 570263454 /nfs/dbraw/zinc/26/34/54/570263454.db2.gz UUZMHGPQVUJOJW-UHFFFAOYSA-N 1 1 386.471 3.504 50 0 GHAAMO NC(=O)C1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000001447674 570263476 /nfs/dbraw/zinc/26/34/76/570263476.db2.gz HCPKFMBBCGITEV-UHFFFAOYSA-N 1 1 397.482 3.789 50 0 GHAAMO COc1cccc(C[N@H+](C)CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c1 ZINC000012850460 570265990 /nfs/dbraw/zinc/26/59/90/570265990.db2.gz BBABCUGUMLFBFC-UHFFFAOYSA-N 1 1 390.487 3.829 50 0 GHAAMO COc1cccc(C[N@@H+](C)CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c1 ZINC000012850460 570265992 /nfs/dbraw/zinc/26/59/92/570265992.db2.gz BBABCUGUMLFBFC-UHFFFAOYSA-N 1 1 390.487 3.829 50 0 GHAAMO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c(C)c1 ZINC000012893812 570286515 /nfs/dbraw/zinc/28/65/15/570286515.db2.gz MSWDNTRNVIDAAR-LJQANCHMSA-N 1 1 393.531 3.659 50 0 GHAAMO C[N@H+](CCC(=O)Nc1ccc2c(c1)CCC2)CC(=O)Nc1ccc(Cl)cc1 ZINC000012940126 570313821 /nfs/dbraw/zinc/31/38/21/570313821.db2.gz OWHMFAWKRDVQPK-UHFFFAOYSA-N 1 1 385.895 3.728 50 0 GHAAMO C[N@@H+](CCC(=O)Nc1ccc2c(c1)CCC2)CC(=O)Nc1ccc(Cl)cc1 ZINC000012940126 570313825 /nfs/dbraw/zinc/31/38/25/570313825.db2.gz OWHMFAWKRDVQPK-UHFFFAOYSA-N 1 1 385.895 3.728 50 0 GHAAMO CN(Cc1ccccc1Cl)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022436609 570317179 /nfs/dbraw/zinc/31/71/79/570317179.db2.gz CCGVMRUQWMXFMN-UHFFFAOYSA-N 1 1 387.911 3.514 50 0 GHAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1OC[C@@H]1CCCO1 ZINC000022692619 570325034 /nfs/dbraw/zinc/32/50/34/570325034.db2.gz HMEFYLYEBVQDRN-AZUAARDMSA-N 1 1 398.503 3.794 50 0 GHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CCc2nc3ccccc3s2)CC1 ZINC000023638596 570367649 /nfs/dbraw/zinc/36/76/49/570367649.db2.gz MUBALTOUQOWQRA-UHFFFAOYSA-N 1 1 379.529 3.882 50 0 GHAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(F)c(Cl)c1)c1cc2ccccc2o1 ZINC000575622149 570370540 /nfs/dbraw/zinc/37/05/40/570370540.db2.gz WPEHAOKDQMTNOC-MRXNPFEDSA-N 1 1 396.871 3.807 50 0 GHAAMO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000023872973 570374373 /nfs/dbraw/zinc/37/43/73/570374373.db2.gz IAWWOFRNIMVSSY-UHFFFAOYSA-N 1 1 395.484 3.876 50 0 GHAAMO Cc1ccc2c(c1)-c1c(c(C(=O)NCC[N@@H+]3CCCC[C@H]3C)nn1C)CS2 ZINC000035534850 570390181 /nfs/dbraw/zinc/39/01/81/570390181.db2.gz PBFIRCIZGWRFJQ-OAHLLOKOSA-N 1 1 384.549 3.605 50 0 GHAAMO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1C ZINC000024813761 570393985 /nfs/dbraw/zinc/39/39/85/570393985.db2.gz LEOJOTRDHXDDFS-MRXNPFEDSA-N 1 1 383.492 3.729 50 0 GHAAMO CCC(CC)[C@@H](CNC(=O)c1cc(SC)ccc1Cl)[NH+]1CCOCC1 ZINC000013013109 570417871 /nfs/dbraw/zinc/41/78/71/570417871.db2.gz NTLDQBPKDMCDEQ-GOSISDBHSA-N 1 1 384.973 3.929 50 0 GHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000013015637 570418495 /nfs/dbraw/zinc/41/84/95/570418495.db2.gz WCTAMDCGENHYLW-ZDUSSCGKSA-N 1 1 387.846 3.691 50 0 GHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000013015637 570418499 /nfs/dbraw/zinc/41/84/99/570418499.db2.gz WCTAMDCGENHYLW-ZDUSSCGKSA-N 1 1 387.846 3.691 50 0 GHAAMO C[C@H](CNC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[N@H+]1CCc2ccccc2C1 ZINC000029732042 570422198 /nfs/dbraw/zinc/42/21/98/570422198.db2.gz GCPICPLBEMZIJD-ZTFGCOKTSA-N 1 1 383.458 3.854 50 0 GHAAMO COc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000072294154 570496484 /nfs/dbraw/zinc/49/64/84/570496484.db2.gz PFKYISZJIJCRCO-KRWDZBQOSA-N 1 1 383.492 3.832 50 0 GHAAMO CC(C)(CNc1nnc(-c2ccc(F)cc2)c2ccccc21)[NH+]1CCOCC1 ZINC000033012145 570624590 /nfs/dbraw/zinc/62/45/90/570624590.db2.gz RYLYXNQZIRSPNG-UHFFFAOYSA-N 1 1 380.467 3.959 50 0 GHAAMO COc1ccc([C@](C)(O)[C@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000012383708 570650276 /nfs/dbraw/zinc/65/02/76/570650276.db2.gz XTBFRNVBMLNREL-RTWAWAEBSA-N 1 1 375.896 3.672 50 0 GHAAMO CCOC(=O)[C@@]1(Cc2ccccc2C)CCC[N@@H+](Cc2cn(CC)nc2C)C1 ZINC000012574783 570681943 /nfs/dbraw/zinc/68/19/43/570681943.db2.gz OERMRFDZKBRTAQ-HSZRJFAPSA-N 1 1 383.536 3.908 50 0 GHAAMO Cc1cc(C)nc(Nc2ccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)n1 ZINC000526052349 570683211 /nfs/dbraw/zinc/68/32/11/570683211.db2.gz AQKPYBIWXSAEIA-FPOVZHCZSA-N 1 1 393.535 3.831 50 0 GHAAMO CC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(F)cc2F)oc1C ZINC000012594481 570688759 /nfs/dbraw/zinc/68/87/59/570688759.db2.gz CAKGTFPEYLJDEW-INIZCTEOSA-N 1 1 377.435 3.809 50 0 GHAAMO CCn1cc(C[N@@H+]2CCC[C@H](C(=O)c3cc(Cl)ccc3OC)C2)c(C)n1 ZINC000012714247 570703792 /nfs/dbraw/zinc/70/37/92/570703792.db2.gz CZXCKUDUPFGUKH-HNNXBMFYSA-N 1 1 375.900 3.968 50 0 GHAAMO CCn1cc(C[N@H+]2CCC[C@H](C(=O)c3cc(Cl)ccc3OC)C2)c(C)n1 ZINC000012714247 570703796 /nfs/dbraw/zinc/70/37/96/570703796.db2.gz CZXCKUDUPFGUKH-HNNXBMFYSA-N 1 1 375.900 3.968 50 0 GHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](NC(=O)C1CCC(C)CC1)C(C)C ZINC000012867306 570725633 /nfs/dbraw/zinc/72/56/33/570725633.db2.gz OIXIWDZSEKCHAH-VFUGHAIPSA-N 1 1 393.616 3.724 50 0 GHAAMO CC(C)[C@@H](CNC(=O)CCc1ccc2c(c1)OCO2)[N@H+]1CCc2ccccc2C1 ZINC000025539301 570758603 /nfs/dbraw/zinc/75/86/03/570758603.db2.gz JEEFXNINGDBGJZ-OAQYLSRUSA-N 1 1 394.515 3.547 50 0 GHAAMO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000013584660 570760400 /nfs/dbraw/zinc/76/04/00/570760400.db2.gz WZYKLEKXLOWMHR-VXGBXAGGSA-N 1 1 377.872 3.667 50 0 GHAAMO C[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCc2ccccc21 ZINC000032778018 570800376 /nfs/dbraw/zinc/80/03/76/570800376.db2.gz FCZWEIFPLBUGFX-QHCPKHFHSA-N 1 1 395.522 3.874 50 0 GHAAMO CSc1ccc(C[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 ZINC000007495823 570856549 /nfs/dbraw/zinc/85/65/49/570856549.db2.gz LYWZDLZGALEWHE-OAHLLOKOSA-N 1 1 383.517 3.604 50 0 GHAAMO CSc1ccc(C[N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 ZINC000007495823 570856551 /nfs/dbraw/zinc/85/65/51/570856551.db2.gz LYWZDLZGALEWHE-OAHLLOKOSA-N 1 1 383.517 3.604 50 0 GHAAMO O=C(NC1CC1)[C@@H]1C[C@H](C[NH+]2CCCC2)CN(Cc2ccc3ccccc3c2)C1 ZINC000014743213 570858505 /nfs/dbraw/zinc/85/85/05/570858505.db2.gz VKYLKYORNGJEOU-NFBKMPQASA-N 1 1 391.559 3.652 50 0 GHAAMO O=C(NC1CC1)[C@@H]1C[C@H](CN2CCCC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014743213 570858507 /nfs/dbraw/zinc/85/85/07/570858507.db2.gz VKYLKYORNGJEOU-NFBKMPQASA-N 1 1 391.559 3.652 50 0 GHAAMO O=C(NC1CC1)[C@@H]1C[C@H](CN2CCCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014743213 570858509 /nfs/dbraw/zinc/85/85/09/570858509.db2.gz VKYLKYORNGJEOU-NFBKMPQASA-N 1 1 391.559 3.652 50 0 GHAAMO CCOCCC[N@@H+]1Cc2ccc(NS(=O)(=O)c3ccc(CC)cc3)cc2C1 ZINC000170609154 570865598 /nfs/dbraw/zinc/86/55/98/570865598.db2.gz IGXBTDCSMNYFEN-UHFFFAOYSA-N 1 1 388.533 3.792 50 0 GHAAMO CCOCCC[N@H+]1Cc2ccc(NS(=O)(=O)c3ccc(CC)cc3)cc2C1 ZINC000170609154 570865601 /nfs/dbraw/zinc/86/56/01/570865601.db2.gz IGXBTDCSMNYFEN-UHFFFAOYSA-N 1 1 388.533 3.792 50 0 GHAAMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015038425 570873038 /nfs/dbraw/zinc/87/30/38/570873038.db2.gz PROMZUQWTVVZIS-INIZCTEOSA-N 1 1 387.911 3.636 50 0 GHAAMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015038425 570873040 /nfs/dbraw/zinc/87/30/40/570873040.db2.gz PROMZUQWTVVZIS-INIZCTEOSA-N 1 1 387.911 3.636 50 0 GHAAMO COc1cc(NC(=O)[C@H](C)[N@H+](C)CCOc2ccccc2Cl)cc(OC)c1 ZINC000015103465 570881173 /nfs/dbraw/zinc/88/11/73/570881173.db2.gz ODNBMJOWADXZSO-AWEZNQCLSA-N 1 1 392.883 3.695 50 0 GHAAMO COc1cc(NC(=O)[C@H](C)[N@@H+](C)CCOc2ccccc2Cl)cc(OC)c1 ZINC000015103465 570881175 /nfs/dbraw/zinc/88/11/75/570881175.db2.gz ODNBMJOWADXZSO-AWEZNQCLSA-N 1 1 392.883 3.695 50 0 GHAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=S)Nc2ccccc2)CC1 ZINC000022457004 570896255 /nfs/dbraw/zinc/89/62/55/570896255.db2.gz KRADHUQCGOYLCW-VQIMIIECSA-N 1 1 388.606 3.802 50 0 GHAAMO OCC[NH+]1CCN(CC/C=C2\c3ccccc3CSc3ccccc32)CC1 ZINC000104419146 570900668 /nfs/dbraw/zinc/90/06/68/570900668.db2.gz GBTIYAZGLIXSCT-ZVBGSRNCSA-N 1 1 380.557 3.724 50 0 GHAAMO CC(C)Oc1ccc(C(=O)NCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000017113553 570928055 /nfs/dbraw/zinc/92/80/55/570928055.db2.gz RXGZOGPNNNPEBL-JOCHJYFZSA-N 1 1 382.504 3.667 50 0 GHAAMO CC(C)Oc1ccc(C(=O)NCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000017113553 570928059 /nfs/dbraw/zinc/92/80/59/570928059.db2.gz RXGZOGPNNNPEBL-JOCHJYFZSA-N 1 1 382.504 3.667 50 0 GHAAMO COCCC[N@H+]1CCc2nc(SCc3ccc(Cl)cc3)[nH]c(=O)c2C1 ZINC000033287226 570955429 /nfs/dbraw/zinc/95/54/29/570955429.db2.gz VESIDIROYBCYKF-UHFFFAOYSA-N 1 1 379.913 3.523 50 0 GHAAMO Cc1ccc(CS(=O)(=O)N2CCC(C[N@@H+]3CCC[C@@H](C)C3)CC2)cc1C ZINC000033312365 570971667 /nfs/dbraw/zinc/97/16/67/570971667.db2.gz FDEPTFUHJHGLNT-QGZVFWFLSA-N 1 1 378.582 3.577 50 0 GHAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000091325792 571003451 /nfs/dbraw/zinc/00/34/51/571003451.db2.gz GYISGNNPHCNWLK-UHFFFAOYSA-N 1 1 375.407 3.640 50 0 GHAAMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012762532 571013722 /nfs/dbraw/zinc/01/37/22/571013722.db2.gz JXHACHHWWUVFLH-AZUAARDMSA-N 1 1 379.504 3.557 50 0 GHAAMO O=C(C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21)Nc1ccc(Br)cn1 ZINC000065951599 571029985 /nfs/dbraw/zinc/02/99/85/571029985.db2.gz OPDOOJGFUFXYGQ-QGZVFWFLSA-N 1 1 386.293 3.935 50 0 GHAAMO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3cnc(C)nc3)CC2)C1 ZINC000091849250 571033266 /nfs/dbraw/zinc/03/32/66/571033266.db2.gz UGWBUDNQRXNQFJ-HXUWFJFHSA-N 1 1 378.520 3.517 50 0 GHAAMO C[C@@H]1C[N@@H+](CCOCCOc2ccc(Br)cc2Cl)C[C@H](C)O1 ZINC000016247814 571046120 /nfs/dbraw/zinc/04/61/20/571046120.db2.gz VVPCMUALHISROJ-BETUJISGSA-N 1 1 392.721 3.607 50 0 GHAAMO C[C@@H]1C[N@H+](CCOCCOc2ccc(Br)cc2Cl)C[C@H](C)O1 ZINC000016247814 571046122 /nfs/dbraw/zinc/04/61/22/571046122.db2.gz VVPCMUALHISROJ-BETUJISGSA-N 1 1 392.721 3.607 50 0 GHAAMO C[NH+](C)CCCN1CC2(CCC1=O)CCN(Cc1ccc(F)c(Cl)c1)CC2 ZINC000095358586 571053879 /nfs/dbraw/zinc/05/38/79/571053879.db2.gz ALDICGXETKRUKP-UHFFFAOYSA-N 1 1 395.950 3.635 50 0 GHAAMO Fc1ccc(C[N@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000095374218 571063399 /nfs/dbraw/zinc/06/33/99/571063399.db2.gz IVIDDHJBSMGQCS-WWPVKYPJSA-N 1 1 380.463 3.617 50 0 GHAAMO Fc1ccc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc1 ZINC000095374218 571063404 /nfs/dbraw/zinc/06/34/04/571063404.db2.gz IVIDDHJBSMGQCS-WWPVKYPJSA-N 1 1 380.463 3.617 50 0 GHAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(-c3noc(C4CC4)n3)cc1)C2 ZINC000095387892 571071218 /nfs/dbraw/zinc/07/12/18/571071218.db2.gz JJEHTUWMMHSAGX-DNVCBOLYSA-N 1 1 380.492 3.560 50 0 GHAAMO C[N@H+](C[C@@H](O)COc1ccccc1CN1CCC(F)(F)CC1)C1CCCCC1 ZINC000095516378 571083957 /nfs/dbraw/zinc/08/39/57/571083957.db2.gz BGSRLJQBWRCEAO-HXUWFJFHSA-N 1 1 396.522 3.922 50 0 GHAAMO C[N@@H+](C[C@@H](O)COc1ccccc1CN1CCC(F)(F)CC1)C1CCCCC1 ZINC000095516378 571083959 /nfs/dbraw/zinc/08/39/59/571083959.db2.gz BGSRLJQBWRCEAO-HXUWFJFHSA-N 1 1 396.522 3.922 50 0 GHAAMO COc1ccc([C@@H]2C[N@H+](Cc3ccc(F)cc3Cl)C[C@H]2NC(C)=O)cc1 ZINC000095522622 571088337 /nfs/dbraw/zinc/08/83/37/571088337.db2.gz LUWIXKXBDHVZLZ-AZUAARDMSA-N 1 1 376.859 3.592 50 0 GHAAMO COc1ccc([C@@H]2C[N@@H+](Cc3ccc(F)cc3Cl)C[C@H]2NC(C)=O)cc1 ZINC000095522622 571088342 /nfs/dbraw/zinc/08/83/42/571088342.db2.gz LUWIXKXBDHVZLZ-AZUAARDMSA-N 1 1 376.859 3.592 50 0 GHAAMO Cc1c[nH]c(CN(C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c(C)c1=O ZINC000095523395 571089073 /nfs/dbraw/zinc/08/90/73/571089073.db2.gz IQFAUSAQLZSWQU-HXUWFJFHSA-N 1 1 385.527 3.517 50 0 GHAAMO Cn1nc(-c2ccccc2Cl)cc1C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079190952 835889268 /nfs/dbraw/zinc/88/92/68/835889268.db2.gz QKAPSVNIWLLVGE-HNAYVOBHSA-N 1 1 386.927 3.735 50 0 biogenic GHAAMO COc1cccc(-c2nc(CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cs2)c1 ZINC000079192616 835909449 /nfs/dbraw/zinc/90/94/49/835909449.db2.gz XEPNXVRPAPTUDP-FXAWDEMLSA-N 1 1 399.560 3.742 50 0 biogenic GHAAMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C3(Cc4ccccc4)CC3)c2)CCO1 ZINC000177439141 836538663 /nfs/dbraw/zinc/53/86/63/836538663.db2.gz BASFNOCUKWOFMM-IBGZPJMESA-N 1 1 378.516 3.546 50 0 GHAAMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C3(Cc4ccccc4)CC3)c2)CCO1 ZINC000177439141 836538666 /nfs/dbraw/zinc/53/86/66/836538666.db2.gz BASFNOCUKWOFMM-IBGZPJMESA-N 1 1 378.516 3.546 50 0 GHAAMO CCc1ccc(-c2noc(C[NH+]3CCC(OC[C@@H]4CCCCO4)CC3)n2)cc1 ZINC000177593196 836857553 /nfs/dbraw/zinc/85/75/53/836857553.db2.gz TZFWXHNJHUDUKK-FQEVSTJZSA-N 1 1 385.508 3.849 50 0 GHAAMO CCn1cc(CN2CCC([N@H+]3C[C@@H](OCC4CC4)C34CCCCC4)CC2)cn1 ZINC000257177515 838717621 /nfs/dbraw/zinc/71/76/21/838717621.db2.gz DXNMZJSTCSIIJC-JOCHJYFZSA-N 1 1 386.584 3.681 50 0 GHAAMO Cc1ccc(CN2CCC([N@@H+]3C[C@H](OCC4CC4)C34CCOCC4)CC2)s1 ZINC000257177954 838737756 /nfs/dbraw/zinc/73/77/56/838737756.db2.gz FQZMWOAZOLDTKD-NRFANRHFSA-N 1 1 390.593 3.681 50 0 GHAAMO Cc1ccc(CN2CCC([N@H+]3C[C@H](OCC4CC4)C34CCOCC4)CC2)s1 ZINC000257177954 838737758 /nfs/dbraw/zinc/73/77/58/838737758.db2.gz FQZMWOAZOLDTKD-NRFANRHFSA-N 1 1 390.593 3.681 50 0 GHAAMO COCC[NH+]1CCC2(CC1)CN(Cc1cccc(F)c1)Cc1ccccc1O2 ZINC000257193846 838978369 /nfs/dbraw/zinc/97/83/69/838978369.db2.gz SASRIZLOAMDTIN-UHFFFAOYSA-N 1 1 384.495 3.701 50 0 GHAAMO CN(CCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccco3)CC2)C1 ZINC000019741948 839830814 /nfs/dbraw/zinc/83/08/14/839830814.db2.gz FMYFFRSEYGPAEA-QHCPKHFHSA-N 1 1 381.564 3.883 50 0 GHAAMO CN(CCc1ccccc1)[C@H]1CCC[N@H+](C2CCN(Cc3ccco3)CC2)C1 ZINC000019741948 839830823 /nfs/dbraw/zinc/83/08/23/839830823.db2.gz FMYFFRSEYGPAEA-QHCPKHFHSA-N 1 1 381.564 3.883 50 0 GHAAMO C[N@H+]1CC2(C[C@@H]1C(=O)Nc1ccccc1)CCN(C(=O)C1(C)CCCCC1)CC2 ZINC000675012006 840862656 /nfs/dbraw/zinc/86/26/56/840862656.db2.gz YHZSQZYLBKMANV-HXUWFJFHSA-N 1 1 397.563 3.908 50 0 GHAAMO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)N(Cc1cccc(O)c1)C1CC1 ZINC000584886201 841168305 /nfs/dbraw/zinc/16/83/05/841168305.db2.gz VWWOJLCVWGXRAM-LJQANCHMSA-N 1 1 397.494 3.870 50 0 GHAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)N(Cc1cccc(O)c1)C1CC1 ZINC000584886201 841168308 /nfs/dbraw/zinc/16/83/08/841168308.db2.gz VWWOJLCVWGXRAM-LJQANCHMSA-N 1 1 397.494 3.870 50 0 GHAAMO O=C(Nc1ccnn1Cc1ccc(F)cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000189410947 841199410 /nfs/dbraw/zinc/19/94/10/841199410.db2.gz KPMNRIAAOYCLPK-UHFFFAOYSA-N 1 1 385.487 3.553 50 0 GHAAMO CSc1cccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2cccnc2)C3=O)c1 ZINC000012320272 843556034 /nfs/dbraw/zinc/55/60/34/843556034.db2.gz BFVTXEFBZQBIOH-QFIPXVFZSA-N 1 1 381.545 3.818 50 0 GHAAMO O=C(NCCCOc1cccc2cccnc21)C1=CC[N@@H+](Cc2ccccc2)C1 ZINC000079050960 845531908 /nfs/dbraw/zinc/53/19/08/845531908.db2.gz UCSYFLBBWGLVJD-UHFFFAOYSA-N 1 1 387.483 3.562 50 0 GHAAMO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)o1 ZINC000079058698 846001137 /nfs/dbraw/zinc/00/11/37/846001137.db2.gz HUNHTACSSPVVDU-JXOMPUQVSA-N 1 1 388.533 3.988 50 0 GHAAMO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)o1 ZINC000079058698 846001142 /nfs/dbraw/zinc/00/11/42/846001142.db2.gz HUNHTACSSPVVDU-JXOMPUQVSA-N 1 1 388.533 3.988 50 0 GHAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000057421399 862087871 /nfs/dbraw/zinc/08/78/71/862087871.db2.gz QEBZYWQOUDPXSM-HOTGVXAUSA-N 1 1 387.911 3.751 50 0 GHAAMO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000057552582 862165748 /nfs/dbraw/zinc/16/57/48/862165748.db2.gz SCJIARQECCUUOU-CQSZACIVSA-N 1 1 393.443 3.763 50 0 GHAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000002312597 855199031 /nfs/dbraw/zinc/19/90/31/855199031.db2.gz NSBQCKQJQJLXKJ-UONOGXRCSA-N 1 1 387.480 3.555 50 0 GHAAMO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000008318966 856114336 /nfs/dbraw/zinc/11/43/36/856114336.db2.gz HKTOYYIOKOVEKO-QWHCGFSZSA-N 1 1 386.464 3.603 50 0 GHAAMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000008318966 856114338 /nfs/dbraw/zinc/11/43/38/856114338.db2.gz HKTOYYIOKOVEKO-QWHCGFSZSA-N 1 1 386.464 3.603 50 0 GHAAMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000040050470 856641116 /nfs/dbraw/zinc/64/11/16/856641116.db2.gz LOPLCBVBIOSXQA-NRFANRHFSA-N 1 1 379.504 3.726 50 0 GHAAMO O=C1N(Cc2cccc(F)c2F)CCC[C@]12CC[N@H+](Cc1cccc(O)c1)C2 ZINC000011714051 857093588 /nfs/dbraw/zinc/09/35/88/857093588.db2.gz YRRQRFXYRBXLLF-JOCHJYFZSA-N 1 1 386.442 3.685 50 0 GHAAMO O=C1N(Cc2cccc(F)c2F)CCC[C@@]12CC[N@H+](Cc1cccc(O)c1)C2 ZINC000011714060 857093768 /nfs/dbraw/zinc/09/37/68/857093768.db2.gz YRRQRFXYRBXLLF-QFIPXVFZSA-N 1 1 386.442 3.685 50 0 GHAAMO C[C@H](C(=O)Nc1ccc2c(c1)CCC2)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009501271 857215687 /nfs/dbraw/zinc/21/56/87/857215687.db2.gz FEEUSTYVZQTIOK-GOSISDBHSA-N 1 1 397.563 3.617 50 0 GHAAMO O=C(C[N@H+](Cc1ccc(F)cc1)C1CCCCC1)N1CC(=O)Nc2ccccc21 ZINC000007987334 862967820 /nfs/dbraw/zinc/96/78/20/862967820.db2.gz WDPPPLCAVROESE-UHFFFAOYSA-N 1 1 395.478 3.946 50 0 GHAAMO O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012057976 858712968 /nfs/dbraw/zinc/71/29/68/858712968.db2.gz OURJIKACQOOCKS-NRFANRHFSA-N 1 1 375.516 3.924 50 0 GHAAMO Cc1c(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)cnn1C ZINC000012202526 859282317 /nfs/dbraw/zinc/28/23/17/859282317.db2.gz ZBSJZYRHNLGMMD-KRWDZBQOSA-N 1 1 388.943 3.691 50 0 GHAAMO O[C@]1(c2ccccn2)CCOC2(CC[NH+](Cc3ccc(F)cc3Cl)CC2)C1 ZINC000257176471 859436642 /nfs/dbraw/zinc/43/66/42/859436642.db2.gz SWRNVUXCNCAMDG-OAQYLSRUSA-N 1 1 390.886 3.907 50 0 GHAAMO Cc1nc(CC(C)C)cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3F)C2)n1 ZINC000012748752 859553448 /nfs/dbraw/zinc/55/34/48/859553448.db2.gz XFQWKCKKZHSQKE-SFHVURJKSA-N 1 1 384.499 3.517 50 0 GHAAMO Cc1nc(CC(C)C)cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)n1 ZINC000012748752 859553454 /nfs/dbraw/zinc/55/34/54/859553454.db2.gz XFQWKCKKZHSQKE-SFHVURJKSA-N 1 1 384.499 3.517 50 0 GHAAMO CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN(c2cc[nH+]c3ccc(Cl)cc32)C1 ZINC000376423369 859574269 /nfs/dbraw/zinc/57/42/69/859574269.db2.gz WLMGHQKAHFUMBQ-ZDUSSCGKSA-N 1 1 383.883 3.697 50 0 GHAAMO O=C(c1ccccc1OC[C@H]1CCC[N@@H+](Cc2ccncc2F)C1)N1CCCC1 ZINC000169765190 859745702 /nfs/dbraw/zinc/74/57/02/859745702.db2.gz SDBVZNDQHLUPSZ-SFHVURJKSA-N 1 1 397.494 3.748 50 0 GHAAMO O=C(c1ccccc1OC[C@H]1CCC[N@H+](Cc2ccncc2F)C1)N1CCCC1 ZINC000169765190 859745705 /nfs/dbraw/zinc/74/57/05/859745705.db2.gz SDBVZNDQHLUPSZ-SFHVURJKSA-N 1 1 397.494 3.748 50 0 GHAAMO CC(=O)N(Cc1nn(C)c2c1C[N@@H+](Cc1sccc1C)CC2)c1ccccc1 ZINC000169775156 859772472 /nfs/dbraw/zinc/77/24/72/859772472.db2.gz VKLBVEMTDYTIMW-UHFFFAOYSA-N 1 1 394.544 3.901 50 0 GHAAMO CC(=O)N(Cc1nn(C)c2c1C[N@H+](Cc1sccc1C)CC2)c1ccccc1 ZINC000169775156 859772478 /nfs/dbraw/zinc/77/24/78/859772478.db2.gz VKLBVEMTDYTIMW-UHFFFAOYSA-N 1 1 394.544 3.901 50 0 GHAAMO CCCNC(=O)N1CCOc2ccc(C[N@H+]3CCc4ccccc4C3)cc2C1 ZINC000169777150 859774604 /nfs/dbraw/zinc/77/46/04/859774604.db2.gz RYCPAOAHNKMIAB-UHFFFAOYSA-N 1 1 379.504 3.559 50 0 GHAAMO CN(C(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1)[C@H]1CC[N@@H+](C)C1 ZINC000012301072 859789402 /nfs/dbraw/zinc/78/94/02/859789402.db2.gz WAFVJLHZJKRKJV-KRWDZBQOSA-N 1 1 383.879 3.848 50 0 GHAAMO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000528410127 860324531 /nfs/dbraw/zinc/32/45/31/860324531.db2.gz XXZKMQWHEAMHMM-UHFFFAOYSA-N 1 1 380.275 3.945 50 0 GHAAMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc(C)nc(-c4ccc(Cl)cc4)n3)C2)[nH]1 ZINC000095973111 860727363 /nfs/dbraw/zinc/72/73/63/860727363.db2.gz DDHXZZBMRRJETO-MRXNPFEDSA-N 1 1 382.899 3.912 50 0 GHAAMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cc(C)nc(-c4ccc(Cl)cc4)n3)C2)n1 ZINC000095973111 860727367 /nfs/dbraw/zinc/72/73/67/860727367.db2.gz DDHXZZBMRRJETO-MRXNPFEDSA-N 1 1 382.899 3.912 50 0 GHAAMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cc(C)nc(-c4ccc(Cl)cc4)n3)C2)n1 ZINC000095973111 860727370 /nfs/dbraw/zinc/72/73/70/860727370.db2.gz DDHXZZBMRRJETO-MRXNPFEDSA-N 1 1 382.899 3.912 50 0 GHAAMO Cc1nc([C@@H]2CCC[N@H+](Cc3cc(C)nc(-c4ccc(Cl)cc4)n3)C2)n[nH]1 ZINC000095973111 860727374 /nfs/dbraw/zinc/72/73/74/860727374.db2.gz DDHXZZBMRRJETO-MRXNPFEDSA-N 1 1 382.899 3.912 50 0 GHAAMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc(C)nc(-c4ccc(Cl)cc4)n3)C2)n[nH]1 ZINC000095973111 860727377 /nfs/dbraw/zinc/72/73/77/860727377.db2.gz DDHXZZBMRRJETO-MRXNPFEDSA-N 1 1 382.899 3.912 50 0 GHAAMO Cc1nc(C)c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)no3)C2)o1 ZINC000825268564 864362730 /nfs/dbraw/zinc/36/27/30/864362730.db2.gz XMYVKGUUKQXKMA-KRWDZBQOSA-N 1 1 394.475 3.588 50 0 GHAAMO COCc1cc(Cl)ccc1NC(=O)N(C)[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](OC)C1 ZINC000626593038 864567302 /nfs/dbraw/zinc/56/73/02/864567302.db2.gz GARHSUZYLRSNCN-UHOSZYNNSA-N 1 1 395.931 3.592 50 0 GHAAMO O=C(CSc1ccc(Cl)cc1)N[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000828013143 865170520 /nfs/dbraw/zinc/17/05/20/865170520.db2.gz VPTSSVGNJYKXBV-KRWDZBQOSA-N 1 1 390.936 3.919 50 0 GHAAMO O=C(CSc1ccc(Cl)cc1)N[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000828013143 865170525 /nfs/dbraw/zinc/17/05/25/865170525.db2.gz VPTSSVGNJYKXBV-KRWDZBQOSA-N 1 1 390.936 3.919 50 0 GHAAMO FC(F)(F)c1ccc(C[N@H+]2CC[C@@H](Cc3nc(-c4cccnc4)n[nH]3)C2)cc1 ZINC000581780025 869962442 /nfs/dbraw/zinc/96/24/42/869962442.db2.gz IMFAXYVSRLMDDM-HNNXBMFYSA-N 1 1 387.409 3.950 50 0 GHAAMO FC(F)(F)c1ccc(C[N@@H+]2CC[C@@H](Cc3nnc(-c4cccnc4)[nH]3)C2)cc1 ZINC000581780025 869962453 /nfs/dbraw/zinc/96/24/53/869962453.db2.gz IMFAXYVSRLMDDM-HNNXBMFYSA-N 1 1 387.409 3.950 50 0 GHAAMO FC(F)(F)c1ccc(C[N@H+]2CC[C@@H](Cc3nnc(-c4cccnc4)[nH]3)C2)cc1 ZINC000581780025 869962460 /nfs/dbraw/zinc/96/24/60/869962460.db2.gz IMFAXYVSRLMDDM-HNNXBMFYSA-N 1 1 387.409 3.950 50 0 GHAAMO O=C(c1ccc2[nH]ccc2c1)N1CC[C@@H]2COCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000581781536 869964981 /nfs/dbraw/zinc/96/49/81/869964981.db2.gz LJRIHTFYKANRFJ-FYYLOGMGSA-N 1 1 389.499 3.531 50 0 GHAAMO Cc1ncccc1C(=O)N1CCC2(CC1)C[C@@H]([N@@H+](C)Cc1ccccc1)CCO2 ZINC000581784177 869982814 /nfs/dbraw/zinc/98/28/14/869982814.db2.gz IYAJCGFVIKLWKJ-NRFANRHFSA-N 1 1 393.531 3.676 50 0 GHAAMO COC[C@@H]1[C@H](C(=O)NCCc2cccc(C)c2)CCC[N@H+]1Cc1ccccc1 ZINC000581813249 870021641 /nfs/dbraw/zinc/02/16/41/870021641.db2.gz OODVHWRTCREBOZ-DHIUTWEWSA-N 1 1 380.532 3.581 50 0 GHAAMO O=C(NC1CCCCC1)N1CCC(Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000581810123 870041849 /nfs/dbraw/zinc/04/18/49/870041849.db2.gz ADQOYVCOLXRFRP-UHFFFAOYSA-N 1 1 399.579 3.816 50 0 GHAAMO CN(C)c1nc(-c2ccccc2)c(C[N@H+]2CC[C@H](Oc3cccnc3)C2)s1 ZINC000093691692 912387631 /nfs/dbraw/zinc/38/76/31/912387631.db2.gz VULNTYNUUGYUET-SFHVURJKSA-N 1 1 380.517 3.924 50 0 GHAAMO COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000585080220 897024833 /nfs/dbraw/zinc/02/48/33/897024833.db2.gz LVHDTUHFSSQDJD-KRWDZBQOSA-N 1 1 384.442 3.708 50 0 GHAAMO COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000585080220 897024846 /nfs/dbraw/zinc/02/48/46/897024846.db2.gz LVHDTUHFSSQDJD-KRWDZBQOSA-N 1 1 384.442 3.708 50 0 GHAAMO C[N@@H+](Cc1cc(C(N)=O)cs1)C1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000952845176 904627980 /nfs/dbraw/zinc/62/79/80/904627980.db2.gz FHDMWYMSIGPEQX-UHFFFAOYSA-N 1 1 397.466 3.967 50 0 GHAAMO COc1cccc(N2CCC([N@H+]3CCCN(Cc4cccs4)CC3)CC2)c1 ZINC000952983898 904669590 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GHAAMO COc1ccc(C(=O)Nc2ccc(Nc3cc(N(C)C)[nH+]c(C)n3)cc2)cc1 ZINC000021794041 207238472 /nfs/dbraw/zinc/23/84/72/207238472.db2.gz FJXFVVPWCJJSDU-UHFFFAOYSA-N 1 1 377.448 3.856 50 0 GHAAMO CC(C)(C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022030440 207244866 /nfs/dbraw/zinc/24/48/66/207244866.db2.gz POTFGLQYCLNNMV-NRFANRHFSA-N 1 1 382.548 3.542 50 0 GHAAMO C[C@H](NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000022436629 207254024 /nfs/dbraw/zinc/25/40/24/207254024.db2.gz OYFGXGIKTPHNAL-INIZCTEOSA-N 1 1 387.911 3.733 50 0 GHAAMO CC[N@H+]1CCC[C@H]1CN[C@@H](C(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 ZINC000022919301 207266052 /nfs/dbraw/zinc/26/60/52/207266052.db2.gz NZUXQGPYVILEFM-FCHUYYIVSA-N 1 1 379.504 3.643 50 0 GHAAMO CCN1CCC[C@H]1C[NH2+][C@@H](C(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 ZINC000022919301 207266056 /nfs/dbraw/zinc/26/60/56/207266056.db2.gz NZUXQGPYVILEFM-FCHUYYIVSA-N 1 1 379.504 3.643 50 0 GHAAMO Cc1ccc(-c2nnc([C@H](C)NCc3ccccc3C[NH+]3CCOCC3)o2)cc1 ZINC000025697077 207305935 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RXJGPELSCZSBGC-QGZVFWFLSA-N 1 1 395.478 3.891 50 0 GHAAMO CCC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)[nH]1)C1CC1 ZINC000077385537 208040554 /nfs/dbraw/zinc/04/05/54/208040554.db2.gz JQBOSFNAGIIWRB-NRFANRHFSA-N 1 1 379.504 3.557 50 0 GHAAMO CC(C)c1nnsc1C[N@H+]1CCC[C@@]2(CCC(=O)N(C3CCCC3)C2)C1 ZINC000077503763 208045563 /nfs/dbraw/zinc/04/55/63/208045563.db2.gz KWNPFQZRHSPAAA-HXUWFJFHSA-N 1 1 376.570 3.809 50 0 GHAAMO CCOc1ccc(OCCCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000084809324 208099851 /nfs/dbraw/zinc/09/98/51/208099851.db2.gz HKSIODZOXZFCAX-UHFFFAOYSA-N 1 1 382.504 3.589 50 0 GHAAMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000079051360 208069845 /nfs/dbraw/zinc/06/98/45/208069845.db2.gz SEESZCNKHUYAAO-NZQKXSOJSA-N 1 1 392.543 3.729 50 0 GHAAMO c1c(CNc2cnc3ccccc3n2)nn2c1C[N@@H+](C1CCCCC1)CCC2 ZINC000082114982 208080999 /nfs/dbraw/zinc/08/09/99/208080999.db2.gz XSIQWEKTQCFEJQ-UHFFFAOYSA-N 1 1 376.508 3.977 50 0 GHAAMO O=C(NC[C@H]1CCCN(CCC[NH+]2CCCCC2)C1)Nc1cccc(F)c1 ZINC000084372621 208089627 /nfs/dbraw/zinc/08/96/27/208089627.db2.gz AEJXMCBETMYRDC-GOSISDBHSA-N 1 1 376.520 3.535 50 0 GHAAMO O=C(CCCCc1ccccc1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccncc1)C2 ZINC000091391383 208117535 /nfs/dbraw/zinc/11/75/35/208117535.db2.gz WCQKDVYCHHGEEL-XZOQPEGZSA-N 1 1 377.532 3.917 50 0 GHAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(Cc2cnc(C(C)C)nc2)C3)cc1 ZINC000095375315 208170443 /nfs/dbraw/zinc/17/04/43/208170443.db2.gz ILGLHDMVICJBKE-PZJWPPBQSA-N 1 1 380.536 3.705 50 0 GHAAMO CCN1C[C@]2(CCC[N@@H+](Cc3ccccc3-n3nc(C)cc3C)C2)CCC1=O ZINC000091950950 208144376 /nfs/dbraw/zinc/14/43/76/208144376.db2.gz MZUXFLPLUUNPLM-HSZRJFAPSA-N 1 1 380.536 3.714 50 0 GHAAMO COCCN(Cc1c(C)noc1C)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000095509796 208209440 /nfs/dbraw/zinc/20/94/40/208209440.db2.gz XQPXIEJBXFYIPM-HXUWFJFHSA-N 1 1 397.563 3.619 50 0 GHAAMO C[C@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000095421209 208182365 /nfs/dbraw/zinc/18/23/65/208182365.db2.gz ALKRDWAKXJZOFO-SJQPRBQBSA-N 1 1 384.545 3.828 50 0 GHAAMO COc1ccc(C[N@H+]2CCCN(Cc3csc(C)n3)CC2)cc1SC ZINC000095453838 208183417 /nfs/dbraw/zinc/18/34/17/208183417.db2.gz UKOJPZMYEPYTBO-UHFFFAOYSA-N 1 1 377.579 3.890 50 0 GHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cnc(C3CC3)nc2)C1 ZINC000095508659 208210279 /nfs/dbraw/zinc/21/02/79/208210279.db2.gz IUMAHWGGUBIJPD-IBGZPJMESA-N 1 1 392.547 3.689 50 0 GHAAMO O=C(NCCSCc1ccnc(Cl)c1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000095458532 208186651 /nfs/dbraw/zinc/18/66/51/208186651.db2.gz YFFNOVSEBMETAN-GOSISDBHSA-N 1 1 389.952 3.749 50 0 GHAAMO C[C@@H](CC(=O)OCC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC(=O)C1CCCC1 ZINC000095467969 208190337 /nfs/dbraw/zinc/19/03/37/208190337.db2.gz YODSAMQVNOGPEJ-ICSRJNTNSA-N 1 1 386.536 3.527 50 0 GHAAMO CC(C)n1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc2c1=O ZINC000095479564 208194714 /nfs/dbraw/zinc/19/47/14/208194714.db2.gz FYSQBXBYPDIPKQ-UHFFFAOYSA-N 1 1 389.499 3.540 50 0 GHAAMO Cn1c2ccccc2nc1C[NH+]1CCC2(CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000095531650 208229642 /nfs/dbraw/zinc/22/96/42/208229642.db2.gz QDYZSPVXFNQPEF-UHFFFAOYSA-N 1 1 388.515 3.588 50 0 GHAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccc3nonc32)C1)c1ccccc1Cl ZINC000095529995 208230673 /nfs/dbraw/zinc/23/06/73/208230673.db2.gz LDXIRLUHHCBEQB-CQSZACIVSA-N 1 1 384.867 3.518 50 0 GHAAMO Cc1cc2[nH]c(C(=O)N[C@H](C)c3ccccc3)c(C[NH+]3CCOCC3)c2s1 ZINC000096363802 208310996 /nfs/dbraw/zinc/31/09/96/208310996.db2.gz LYIDDACCONEGRT-OAHLLOKOSA-N 1 1 383.517 3.861 50 0 GHAAMO Cc1cc(C)n(-c2ccc(CCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)n1 ZINC000230208075 209005203 /nfs/dbraw/zinc/00/52/03/209005203.db2.gz GYSXTLVLSXTOSI-GGAORHGYSA-N 1 1 394.563 3.802 50 0 biogenic GHAAMO O=C(C[NH+]1CCC(c2nnc(-c3ccsc3)o2)CC1)N1CCc2ccccc21 ZINC000096024420 209006962 /nfs/dbraw/zinc/00/69/62/209006962.db2.gz FASPHGOKBGXGLI-UHFFFAOYSA-N 1 1 394.500 3.567 50 0 GHAAMO CC1(C)C[N@H+](CC(=O)NCCc2nc3ccccc3s2)CC[C@@H]1C(F)(F)F ZINC000241810036 209019094 /nfs/dbraw/zinc/01/90/94/209019094.db2.gz SCOWZIJHRAUONF-HNNXBMFYSA-N 1 1 399.482 3.865 50 0 GHAAMO CC1(C)C[N@@H+](CC(=O)NCCc2nc3ccccc3s2)CC[C@@H]1C(F)(F)F ZINC000241810036 209019099 /nfs/dbraw/zinc/01/90/99/209019099.db2.gz SCOWZIJHRAUONF-HNNXBMFYSA-N 1 1 399.482 3.865 50 0 GHAAMO CC1(CNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)CCOCC1 ZINC000299775171 209087470 /nfs/dbraw/zinc/08/74/70/209087470.db2.gz ILTXAALNMZYVGM-UHFFFAOYSA-N 1 1 378.516 3.791 50 0 GHAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000008747974 221055593 /nfs/dbraw/zinc/05/55/93/221055593.db2.gz JSUSAUUDTGPJDJ-FQEVSTJZSA-N 1 1 396.487 3.657 50 0 GHAAMO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2cnn(CC)c2)CC1 ZINC000015062295 221327748 /nfs/dbraw/zinc/32/77/48/221327748.db2.gz MKQSUEFKPDQLME-UHFFFAOYSA-N 1 1 385.508 3.517 50 0 GHAAMO COc1ccc(C[N@H+](C)CC(=O)NCc2ccc(Cl)cc2Cl)cc1OC ZINC000016590847 221366623 /nfs/dbraw/zinc/36/66/23/221366623.db2.gz OQUGBOPYGUDHEW-UHFFFAOYSA-N 1 1 397.302 3.759 50 0 GHAAMO COc1ccc(C[N@@H+](C)CC(=O)NCc2ccc(Cl)cc2Cl)cc1OC ZINC000016590847 221366628 /nfs/dbraw/zinc/36/66/28/221366628.db2.gz OQUGBOPYGUDHEW-UHFFFAOYSA-N 1 1 397.302 3.759 50 0 GHAAMO Cc1cc(Nc2ccc(NC(=O)c3cccs3)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801103 136157942 /nfs/dbraw/zinc/15/79/42/136157942.db2.gz BVOKSYHIOVEIOK-UHFFFAOYSA-N 1 1 395.488 3.679 50 0 GHAAMO CCn1ccnc1C[N@H+]1CCCC12CCN(c1ccc(C(F)(F)F)cn1)CC2 ZINC000072448377 136170928 /nfs/dbraw/zinc/17/09/28/136170928.db2.gz IGTVVYOVESLZOQ-UHFFFAOYSA-N 1 1 393.457 3.952 50 0 GHAAMO Cc1ccc(CN2CCN(c3cc[nH+]c4c(C)cc(C)cc34)C[C@@H]2CCO)o1 ZINC000072476463 136171352 /nfs/dbraw/zinc/17/13/52/136171352.db2.gz ZFXIGXJBYGBZON-IBGZPJMESA-N 1 1 379.504 3.826 50 0 GHAAMO CC(C)c1ccc2oc(=O)cc(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2c1 ZINC000085880062 570263723 /nfs/dbraw/zinc/26/37/23/570263723.db2.gz HNQQIZKIRWUJKQ-APWZRJJASA-N 1 1 390.483 3.697 50 0 biogenic GHAAMO Cc1c2ccccc2n(C)c1C(=O)NC[C@@H](c1cccnc1)[NH+]1CCCCC1 ZINC000215659286 570290319 /nfs/dbraw/zinc/29/03/19/570290319.db2.gz POPGVESBUGLPQV-NRFANRHFSA-N 1 1 376.504 3.839 50 0 GHAAMO Cc1cc(C)c(-n2cccn2)c(C[N@H+]2CCCN(Cc3ccccn3)CC2)c1 ZINC000215749284 570291315 /nfs/dbraw/zinc/29/13/15/570291315.db2.gz DRVKPPOIDKIODO-UHFFFAOYSA-N 1 1 375.520 3.592 50 0 GHAAMO O=C(NCc1ccco1)c1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000034668373 570292985 /nfs/dbraw/zinc/29/29/85/570292985.db2.gz VUJNXMAQGNVUSK-UHFFFAOYSA-N 1 1 393.462 3.671 50 0 GHAAMO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)N4CCCCC4)CC3)cn2)cc1C ZINC000035403576 570351381 /nfs/dbraw/zinc/35/13/81/570351381.db2.gz DKBPOMXWELXMJN-UHFFFAOYSA-N 1 1 378.520 3.591 50 0 GHAAMO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)N4CCCCC4)CC3)cn2)cc1C ZINC000035403576 570351383 /nfs/dbraw/zinc/35/13/83/570351383.db2.gz DKBPOMXWELXMJN-UHFFFAOYSA-N 1 1 378.520 3.591 50 0 GHAAMO O=C1NC2(CC[NH+](Cc3cccc(Cl)c3)CC2)N=C1c1ccc(Cl)cc1 ZINC000035430900 570357053 /nfs/dbraw/zinc/35/70/53/570357053.db2.gz JRVFRZASCBTOKZ-UHFFFAOYSA-N 1 1 388.298 3.905 50 0 GHAAMO O=C(Nc1cc(F)ccc1F)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000090610275 570386366 /nfs/dbraw/zinc/38/63/66/570386366.db2.gz HSQCIQUFGZPDLE-UHFFFAOYSA-N 1 1 398.413 3.866 50 0 GHAAMO C[C@H]1CCC[N@@H+](CC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC000032951996 570428353 /nfs/dbraw/zinc/42/83/53/570428353.db2.gz GAMKHFVKJDDGCN-AWEZNQCLSA-N 1 1 388.936 3.612 50 0 GHAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000241132847 570431221 /nfs/dbraw/zinc/43/12/21/570431221.db2.gz JMDIKERZCWUWIL-KCZVDYSFSA-N 1 1 392.547 3.648 50 0 GHAAMO CCOC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000248289922 570451775 /nfs/dbraw/zinc/45/17/75/570451775.db2.gz KJQMBEWMROVVRJ-WMZOPIPTSA-N 1 1 375.490 3.502 50 0 GHAAMO CCCN(CCC)c1nc(C[NH+](C)C)nc2sc(C(=O)OCC)c(C)c21 ZINC000072281897 570465885 /nfs/dbraw/zinc/46/58/85/570465885.db2.gz KEDBVYCEBOCKDJ-UHFFFAOYSA-N 1 1 378.542 3.864 50 0 GHAAMO C[C@H]1C[C@H](OC[C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)CC(C)(C)C1 ZINC000034118518 570530763 /nfs/dbraw/zinc/53/07/63/570530763.db2.gz GFQKJOYOOVSYKW-OTWHNJEPSA-N 1 1 378.532 3.540 50 0 GHAAMO Cc1ccc(C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C[C@H]2CCCO2)o1 ZINC000036097992 570536141 /nfs/dbraw/zinc/53/61/41/570536141.db2.gz DACNBNGKZFVVEA-PKOBYXMFSA-N 1 1 379.884 3.662 50 0 GHAAMO CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@@H+](CC)C3 ZINC000019832291 570536928 /nfs/dbraw/zinc/53/69/28/570536928.db2.gz NSIPQSHPYXCYGF-UHFFFAOYSA-N 1 1 385.558 3.996 50 0 GHAAMO CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@H+](CC)C3 ZINC000019832291 570536933 /nfs/dbraw/zinc/53/69/33/570536933.db2.gz NSIPQSHPYXCYGF-UHFFFAOYSA-N 1 1 385.558 3.996 50 0 GHAAMO COc1ccc(CC[N@@H+](C)CCCN2C[C@@H](c3ccccc3)CC2=O)cc1OC ZINC000004141028 570539856 /nfs/dbraw/zinc/53/98/56/570539856.db2.gz RAAIBDBQPDXSSB-NRFANRHFSA-N 1 1 396.531 3.584 50 0 GHAAMO O[C@@H](COCc1ccco1)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036103548 570539986 /nfs/dbraw/zinc/53/99/86/570539986.db2.gz QWDJZFYMQQBTRQ-HXUWFJFHSA-N 1 1 395.455 3.588 50 0 GHAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(Cl)cc(Br)c1F ZINC000225521213 570583047 /nfs/dbraw/zinc/58/30/47/570583047.db2.gz QEAPNEXJDFPIFP-SNVBAGLBSA-N 1 1 377.685 3.846 50 0 GHAAMO c1cc(C[N@H+]2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)n(-c2ccccn2)c1 ZINC000011932884 570592951 /nfs/dbraw/zinc/59/29/51/570592951.db2.gz BFGMLOAGFQFBOX-GOSISDBHSA-N 1 1 376.460 3.678 50 0 GHAAMO O=C(CCC(=O)c1ccccc1)N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000011997071 570597122 /nfs/dbraw/zinc/59/71/22/570597122.db2.gz UPTHPXULDLMMGM-QFIPXVFZSA-N 1 1 378.516 3.863 50 0 GHAAMO C[N@H+](Cc1ccco1)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006809613 570612094 /nfs/dbraw/zinc/61/20/94/570612094.db2.gz HEKDZDYIDPZFMW-ZWKOTPCHSA-N 1 1 382.913 3.655 50 0 GHAAMO C[N@@H+](Cc1ccco1)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006809613 570612099 /nfs/dbraw/zinc/61/20/99/570612099.db2.gz HEKDZDYIDPZFMW-ZWKOTPCHSA-N 1 1 382.913 3.655 50 0 GHAAMO CC(C)c1cc(C[NH+]2CCC(n3nccc3NC(=O)C3CCCC3)CC2)[nH]n1 ZINC000012198558 570624090 /nfs/dbraw/zinc/62/40/90/570624090.db2.gz HKGSIGCCUGGRLS-UHFFFAOYSA-N 1 1 384.528 3.695 50 0 GHAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)cc1 ZINC000012300616 570635885 /nfs/dbraw/zinc/63/58/85/570635885.db2.gz XITONEYSMOPNTM-NRFANRHFSA-N 1 1 378.451 3.923 50 0 GHAAMO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000012300616 570635887 /nfs/dbraw/zinc/63/58/87/570635887.db2.gz XITONEYSMOPNTM-NRFANRHFSA-N 1 1 378.451 3.923 50 0 GHAAMO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000012300616 570635890 /nfs/dbraw/zinc/63/58/90/570635890.db2.gz XITONEYSMOPNTM-NRFANRHFSA-N 1 1 378.451 3.923 50 0 GHAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000012301706 570636368 /nfs/dbraw/zinc/63/63/68/570636368.db2.gz GWAWLMLVILVHAZ-FQEVSTJZSA-N 1 1 392.547 3.958 50 0 GHAAMO CCOC(=O)C1(Cc2ccccc2Cl)CC[NH+](Cc2cnn(CC)c2)CC1 ZINC000012303991 570637645 /nfs/dbraw/zinc/63/76/45/570637645.db2.gz BYODDZQEQQKZKA-UHFFFAOYSA-N 1 1 389.927 3.944 50 0 GHAAMO CN(Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1)Cc1ccccn1 ZINC000012304664 570638221 /nfs/dbraw/zinc/63/82/21/570638221.db2.gz JBLOFZPWZSBROJ-QHCPKHFHSA-N 1 1 397.563 3.718 50 0 GHAAMO CN(Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1)Cc1ccccn1 ZINC000012304664 570638223 /nfs/dbraw/zinc/63/82/23/570638223.db2.gz JBLOFZPWZSBROJ-QHCPKHFHSA-N 1 1 397.563 3.718 50 0 GHAAMO CCOc1ccc(C[N@H+]2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)cc1CO ZINC000012373552 570648750 /nfs/dbraw/zinc/64/87/50/570648750.db2.gz JBKRUOWPFLAAGV-GOSISDBHSA-N 1 1 376.447 3.932 50 0 GHAAMO CCCC[C@@H]1C[N@@H+](CCC(=O)NCCc2ccncc2)Cc2ccccc2O1 ZINC000012453746 570668731 /nfs/dbraw/zinc/66/87/31/570668731.db2.gz ZFFPFUCDEJHFKO-OAQYLSRUSA-N 1 1 381.520 3.584 50 0 GHAAMO COc1ccc(C(=O)N(CCc2ccccc2)C[C@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000012458035 570669840 /nfs/dbraw/zinc/66/98/40/570669840.db2.gz LCHGPWMREVHUPA-FQEVSTJZSA-N 1 1 396.531 3.731 50 0 GHAAMO COc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c(OC)c1 ZINC000012507327 570675233 /nfs/dbraw/zinc/67/52/33/570675233.db2.gz KJBVBBKOUWYLTN-KRWDZBQOSA-N 1 1 388.895 3.752 50 0 GHAAMO COc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c(OC)c1 ZINC000012507327 570675236 /nfs/dbraw/zinc/67/52/36/570675236.db2.gz KJBVBBKOUWYLTN-KRWDZBQOSA-N 1 1 388.895 3.752 50 0 GHAAMO O=C(c1ccsc1)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055072098 570681420 /nfs/dbraw/zinc/68/14/20/570681420.db2.gz XEBCYFSBMRHUIV-IBGZPJMESA-N 1 1 389.952 3.828 50 0 GHAAMO CCCC(=O)Nc1cccc(C(=O)N[C@H]2CCC[N@H+](Cc3cccc(O)c3)C2)c1 ZINC000055099432 570683136 /nfs/dbraw/zinc/68/31/36/570683136.db2.gz GYYVHNFRWZUUQZ-FQEVSTJZSA-N 1 1 395.503 3.525 50 0 GHAAMO CCCC(=O)Nc1cccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)c1 ZINC000055099432 570683138 /nfs/dbraw/zinc/68/31/38/570683138.db2.gz GYYVHNFRWZUUQZ-FQEVSTJZSA-N 1 1 395.503 3.525 50 0 GHAAMO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4cnn(C(C)C)c4)C3)C2)c1 ZINC000012590387 570686589 /nfs/dbraw/zinc/68/65/89/570686589.db2.gz IDNLAZILLZUVHS-HSZRJFAPSA-N 1 1 380.536 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/nfs/dbraw/zinc/85/64/20/570856420.db2.gz IZBLKHYJYSOYRI-UHFFFAOYSA-N 1 1 383.517 3.606 50 0 GHAAMO C[NH+](C)[C@H](CNC(=O)c1csc(C(F)(F)F)n1)c1ccccc1Cl ZINC000170607827 570864618 /nfs/dbraw/zinc/86/46/18/570864618.db2.gz UHPJANUHALZMIL-GFCCVEGCSA-N 1 1 377.819 3.848 50 0 GHAAMO CC(C)CCn1c2ccccc2nc1C[N@H+]1CCC[C@@]2(CN(C)C(=O)O2)CC1 ZINC000072143173 570870007 /nfs/dbraw/zinc/87/00/07/570870007.db2.gz QVJYXEXTGWIZBX-QFIPXVFZSA-N 1 1 384.524 3.889 50 0 GHAAMO CC(C)[C@H]1CN(C(=O)CCc2ccccn2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000072159124 570875075 /nfs/dbraw/zinc/87/50/75/570875075.db2.gz FTINHJAWGVPAKL-JOCHJYFZSA-N 1 1 383.511 3.912 50 0 GHAAMO COCC1(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)CCC1 ZINC000072162767 570875728 /nfs/dbraw/zinc/87/57/28/570875728.db2.gz IQYFQXAUJPEOOQ-HXUWFJFHSA-N 1 1 376.516 3.701 50 0 GHAAMO CC[C@H](NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C)cc1 ZINC000032889807 570888896 /nfs/dbraw/zinc/88/88/96/570888896.db2.gz NKRAGLXFDJCWCO-QFIPXVFZSA-N 1 1 381.520 3.778 50 0 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381.568 3.840 50 0 GHAAMO CCCN1CCC([N@H+]2CCC[C@H](Cn3c(C)cnc3-c3ccncc3)C2)CC1 ZINC000581807369 837680306 /nfs/dbraw/zinc/68/03/06/837680306.db2.gz IGICMMIKBYHKQQ-FQEVSTJZSA-N 1 1 381.568 3.840 50 0 GHAAMO Cc1cc(N2CCC(NC(=O)N3CCC[C@H]3c3ccccc3C)CC2)nc(C)[nH+]1 ZINC000176887502 834952910 /nfs/dbraw/zinc/95/29/10/834952910.db2.gz JNJBVINRKDRNGF-NRFANRHFSA-N 1 1 393.535 3.917 50 0 GHAAMO COc1ccc(Cc2n[nH]c3c2C[N@H+](Cc2c[nH]nc2-c2ccccc2)CC3)cc1 ZINC000023232352 835836661 /nfs/dbraw/zinc/83/66/61/835836661.db2.gz RVQWLMLCRWBVSN-UHFFFAOYSA-N 1 1 399.498 3.958 50 0 GHAAMO COc1ccc(Cc2n[nH]c3c2C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC3)cc1 ZINC000023232352 835836667 /nfs/dbraw/zinc/83/66/67/835836667.db2.gz RVQWLMLCRWBVSN-UHFFFAOYSA-N 1 1 399.498 3.958 50 0 GHAAMO COc1ccc(Cc2[nH]nc3c2C[N@H+](Cc2c[nH]nc2-c2ccccc2)CC3)cc1 ZINC000023232352 835836673 /nfs/dbraw/zinc/83/66/73/835836673.db2.gz RVQWLMLCRWBVSN-UHFFFAOYSA-N 1 1 399.498 3.958 50 0 GHAAMO COc1ccc(Cc2[nH]nc3c2C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC3)cc1 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COCCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000952973893 904653229 /nfs/dbraw/zinc/65/32/29/904653229.db2.gz BWRFRUPEPKPCJF-QGZVFWFLSA-N 1 1 379.504 3.738 50 0 GHAAMO CC[N@H+]1CCC[C@@]2(CCCN(S(=O)(=O)Cc3ccc(Cl)cc3F)C2)C1 ZINC000952974974 904653343 /nfs/dbraw/zinc/65/33/43/904653343.db2.gz NUSUYIKKUMAIGF-GOSISDBHSA-N 1 1 388.936 3.507 50 0 GHAAMO Cc1ccccc1[C@H](C)CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000247198484 911036544 /nfs/dbraw/zinc/03/65/44/911036544.db2.gz LSDQOHAEOPJGBW-UTKZUKDTSA-N 1 1 379.504 3.577 50 0 GHAAMO Cc1ccccc1[C@H](C)CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000247198484 911036565 /nfs/dbraw/zinc/03/65/65/911036565.db2.gz LSDQOHAEOPJGBW-UTKZUKDTSA-N 1 1 379.504 3.577 50 0 GHAAMO COc1c(C)cnc(CN2CCC([N@@H+](C)CCc3scnc3C)CC2)c1C ZINC000091708812 911222312 /nfs/dbraw/zinc/22/23/12/911222312.db2.gz LVCXASURSBPLMD-UHFFFAOYSA-N 1 1 388.581 3.611 50 0 GHAAMO CCOC(=O)[C@@]1(CCOC)CCC[N@@H+](Cc2[nH]c3ccc(OC)cc3c2C)C1 ZINC000012717635 919300283 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3.567 50 0 biogenic GHAAMO COc1c(C)cnc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c1C ZINC000095993121 206300513 /nfs/dbraw/zinc/30/05/13/206300513.db2.gz SIHHBDQHZYHMCR-SFHVURJKSA-N 1 1 377.492 3.872 50 0 GHAAMO C[N@H+]1CCC[C@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12 ZINC000000607845 206308599 /nfs/dbraw/zinc/30/85/99/206308599.db2.gz PWVXXGRKLHYWKM-IBGZPJMESA-N 1 1 382.529 3.821 50 0 in-vitro GHAAMO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000009503230 206330641 /nfs/dbraw/zinc/33/06/41/206330641.db2.gz RDALXKLEFHQSQM-JOCHJYFZSA-N 1 1 377.488 3.859 50 0 GHAAMO CCOc1ccc(C[NH+]2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000001157823 206361152 /nfs/dbraw/zinc/36/11/52/206361152.db2.gz WTRKLPNNBDOVEQ-UHFFFAOYSA-N 1 1 379.548 3.872 50 0 GHAAMO COc1ccc(F)c(CN2CCC[C@]3(CC[N@@H+](CCc4ccccc4)C3)C2=O)c1 ZINC000014969031 207034639 /nfs/dbraw/zinc/03/46/39/207034639.db2.gz AESFTXDVWJTTQP-XMMPIXPASA-N 1 1 396.506 3.892 50 0 GHAAMO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000014965950 207035682 /nfs/dbraw/zinc/03/56/82/207035682.db2.gz OZKNTVBHZKBINX-KRWDZBQOSA-N 1 1 384.451 3.888 50 0 GHAAMO OCCOc1cccc(C[N@H+]2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)c1 ZINC000014961589 207035809 /nfs/dbraw/zinc/03/58/09/207035809.db2.gz KTKIQRHALVZUAF-JOCHJYFZSA-N 1 1 389.923 3.528 50 0 GHAAMO COc1cccc(C[C@]2(CO)CCC[N@@H+](Cc3c(OC)cccc3OC)C2)c1 ZINC000014977956 207036570 /nfs/dbraw/zinc/03/65/70/207036570.db2.gz PCPKEFLQSJVVLZ-HSZRJFAPSA-N 1 1 385.504 3.530 50 0 GHAAMO CSc1ccc(C[N@@H+]2CCC(=O)N(CCOc3ccc(F)cc3)CC2)cc1 ZINC000014981832 207038225 /nfs/dbraw/zinc/03/82/25/207038225.db2.gz SOMXPTJYCICTFM-UHFFFAOYSA-N 1 1 388.508 3.661 50 0 GHAAMO C[C@@H](CNC(=O)c1ccncc1)Oc1cccc(C[N@@H+](C)Cc2ccsc2)c1 ZINC000015005592 207040378 /nfs/dbraw/zinc/04/03/78/207040378.db2.gz ULCWMWIUBLSTMP-KRWDZBQOSA-N 1 1 395.528 3.972 50 0 GHAAMO CCCC[N@@H+](Cc1ccccc1)[C@@H]1CCc2c(c(C(=O)N3CCCC3)nn2C)C1 ZINC000014748849 207029956 /nfs/dbraw/zinc/02/99/56/207029956.db2.gz CTUSDMXXYXMXIS-HXUWFJFHSA-N 1 1 394.563 3.816 50 0 GHAAMO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]12CC[N@H+](C1Cc3ccccc3C1)C2 ZINC000015067757 207041787 /nfs/dbraw/zinc/04/17/87/207041787.db2.gz QRUCVEVXQCJIEI-DEOSSOPVSA-N 1 1 396.481 3.947 50 0 GHAAMO COc1cc(C[NH2+][C@@H](C(=O)N2CCCC2)c2ccccc2)ccc1OC(F)F ZINC000015499615 207051238 /nfs/dbraw/zinc/05/12/38/207051238.db2.gz JWKHKSNFKVOKTN-LJQANCHMSA-N 1 1 390.430 3.750 50 0 GHAAMO CCOc1cc(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)ccc1OCC(N)=O ZINC000015836705 207063727 /nfs/dbraw/zinc/06/37/27/207063727.db2.gz MGCCDGZBXVTOCJ-SFHVURJKSA-N 1 1 388.895 3.940 50 0 GHAAMO C[N@H+](Cc1cc(=O)oc2cc3c(cc12)CCC3)C[C@@H]1COc2ccccc2O1 ZINC000016628397 207076142 /nfs/dbraw/zinc/07/61/42/207076142.db2.gz SRZSMLPTBZGQAJ-GOSISDBHSA-N 1 1 377.440 3.554 50 0 GHAAMO C[NH+](C)[C@@H]1c2ccccc2C2(CCN(Cc3ccc(Cl)s3)CC2)[C@H]1O ZINC000019147889 207105570 /nfs/dbraw/zinc/10/55/70/207105570.db2.gz YVVYKLAIUJRSQB-MOPGFXCFSA-N 1 1 376.953 3.913 50 0 GHAAMO FC(F)(F)c1ccc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019367886 207118131 /nfs/dbraw/zinc/11/81/31/207118131.db2.gz SXUGLUNPDLVMBV-UHFFFAOYSA-N 1 1 378.394 3.752 50 0 GHAAMO C[N@@H+](C1CCN(Cc2ccco2)CC1)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000019537805 207130231 /nfs/dbraw/zinc/13/02/31/207130231.db2.gz MBCZAJPMVGTDLT-QHCPKHFHSA-N 1 1 381.564 3.883 50 0 GHAAMO CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(Cc2cccn2-c2nccs2)C1 ZINC000019840464 207166862 /nfs/dbraw/zinc/16/68/62/207166862.db2.gz WFHYJXBIRDURSK-IBGZPJMESA-N 1 1 381.549 3.815 50 0 GHAAMO CSCCC[N@H+]1CCC[C@H]1c1ccc(C(=O)N(C)Cc2cc(C)n[nH]2)s1 ZINC000019853722 207166894 /nfs/dbraw/zinc/16/68/94/207166894.db2.gz LCZOBEUDCWOFHQ-INIZCTEOSA-N 1 1 392.594 3.942 50 0 GHAAMO CSCCC[N@@H+]1CCC[C@H]1c1ccc(C(=O)N(C)Cc2cc(C)[nH]n2)s1 ZINC000019853722 207166895 /nfs/dbraw/zinc/16/68/95/207166895.db2.gz LCZOBEUDCWOFHQ-INIZCTEOSA-N 1 1 392.594 3.942 50 0 GHAAMO CSCCC[N@H+]1CCC[C@H]1c1ccc(C(=O)N(C)Cc2cc(C)[nH]n2)s1 ZINC000019853722 207166899 /nfs/dbraw/zinc/16/68/99/207166899.db2.gz LCZOBEUDCWOFHQ-INIZCTEOSA-N 1 1 392.594 3.942 50 0 GHAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccc4ncccc4c3)C[C@@H]2CCO)cc1 ZINC000019866049 207168990 /nfs/dbraw/zinc/16/89/90/207168990.db2.gz NBQMEHJVFKLGKT-QHCPKHFHSA-N 1 1 375.516 3.612 50 0 GHAAMO Cc1ccc(CN2CC[N@H+](Cc3ccc4ncccc4c3)C[C@@H]2CCO)cc1 ZINC000019866049 207168992 /nfs/dbraw/zinc/16/89/92/207168992.db2.gz NBQMEHJVFKLGKT-QHCPKHFHSA-N 1 1 375.516 3.612 50 0 GHAAMO Cc1ccc(CN2CC[N@@H+](Cc3ccc4ncccc4c3)C[C@@H]2CCO)cc1 ZINC000019866049 207168995 /nfs/dbraw/zinc/16/89/95/207168995.db2.gz NBQMEHJVFKLGKT-QHCPKHFHSA-N 1 1 375.516 3.612 50 0 GHAAMO Cc1c2ccccc2[nH]c1CN1CC[N@@H+](CCCc2ccccc2)[C@@H](CCO)C1 ZINC000020455023 207195206 /nfs/dbraw/zinc/19/52/06/207195206.db2.gz SZPNZSUBPOHKMU-QFIPXVFZSA-N 1 1 391.559 3.978 50 0 GHAAMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000020599948 207205885 /nfs/dbraw/zinc/20/58/85/207205885.db2.gz YTXJVLGYPPBEAD-HSZRJFAPSA-N 1 1 377.488 3.951 50 0 GHAAMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000020599948 207205890 /nfs/dbraw/zinc/20/58/90/207205890.db2.gz YTXJVLGYPPBEAD-HSZRJFAPSA-N 1 1 377.488 3.951 50 0 GHAAMO COc1cccc(C[N@@H+]2CCc3nc(Nc4ccccc4)ncc3C2)c1OC ZINC000021039101 207225171 /nfs/dbraw/zinc/22/51/71/207225171.db2.gz ADQPBXPWXZWSAC-UHFFFAOYSA-N 1 1 376.460 3.796 50 0 GHAAMO COc1cccc(C[N@H+]2CCc3nc(Nc4ccccc4)ncc3C2)c1OC ZINC000021039101 207225174 /nfs/dbraw/zinc/22/51/74/207225174.db2.gz ADQPBXPWXZWSAC-UHFFFAOYSA-N 1 1 376.460 3.796 50 0 GHAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3cccc4c3SCCC4=O)C2)cc1 ZINC000021103211 207225574 /nfs/dbraw/zinc/22/55/74/207225574.db2.gz YTGAYIXZTWUWCT-SFHVURJKSA-N 1 1 394.540 3.925 50 0 GHAAMO Cc1cc(C)c(-c2c(=O)c(=O)c2NCCC[N@H+](C)Cc2ccccc2)cc1C ZINC000021217051 207227947 /nfs/dbraw/zinc/22/79/47/207227947.db2.gz GESBPPGXVNGUCX-UHFFFAOYSA-N 1 1 376.500 3.809 50 0 GHAAMO CN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022436684 207253828 /nfs/dbraw/zinc/25/38/28/207253828.db2.gz OKESGRYCUCVDTJ-UHFFFAOYSA-N 1 1 387.911 3.514 50 0 GHAAMO O=c1cc(CN2CC[NH+](Cc3ccccc3)CC2)occ1OCc1ccccc1 ZINC000022577665 207257205 /nfs/dbraw/zinc/25/72/05/207257205.db2.gz CEXANGPBIVYRQN-UHFFFAOYSA-N 1 1 390.483 3.537 50 0 GHAAMO OCC[C@@H]1C[N@@H+](Cc2cccc3cnccc32)CCN1Cc1ccc(F)c(F)c1 ZINC000022851418 207262793 /nfs/dbraw/zinc/26/27/93/207262793.db2.gz DUBUOPIHLUMKOE-HXUWFJFHSA-N 1 1 397.469 3.582 50 0 GHAAMO COCc1cc(CN2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)ccc1OC ZINC000023358961 207274239 /nfs/dbraw/zinc/27/42/39/207274239.db2.gz JMLTXQNIOVQYGW-HSZRJFAPSA-N 1 1 382.548 3.981 50 0 GHAAMO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@@H+](Cc2cccc3nonc32)C1 ZINC000023619101 207280103 /nfs/dbraw/zinc/28/01/03/207280103.db2.gz RVGXFRMQIWWMGT-AWEZNQCLSA-N 1 1 385.851 3.980 50 0 GHAAMO CC(C)(CNC(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000026163942 207309718 /nfs/dbraw/zinc/30/97/18/207309718.db2.gz DAOHBCDXCIAOLT-HXUWFJFHSA-N 1 1 379.504 3.646 50 0 GHAAMO Cc1ccc(-c2nnc([C@@H](C)NCc3ccccc3C[NH+]3CCOCC3)o2)cc1 ZINC000025697074 207305894 /nfs/dbraw/zinc/30/58/94/207305894.db2.gz MJWMVAGMADDHCA-GOSISDBHSA-N 1 1 392.503 3.728 50 0 GHAAMO CCOc1cc(C[N@@H+](C)CCC(=O)NC2CCCCC2)ccc1OC(F)F ZINC000026455354 207314709 /nfs/dbraw/zinc/31/47/09/207314709.db2.gz YKBPWCMPTRQOFY-UHFFFAOYSA-N 1 1 384.467 3.958 50 0 GHAAMO CCc1ccc2oc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)cc(=O)c2c1 ZINC000028288447 207340010 /nfs/dbraw/zinc/34/00/10/207340010.db2.gz LBDFHXWIUDJIFB-QGZVFWFLSA-N 1 1 396.512 3.984 50 0 GHAAMO Cc1nn(C)c(C)c1C[N@@H+](C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000072405813 208017403 /nfs/dbraw/zinc/01/74/03/208017403.db2.gz IKLTZQSZFSWWRV-OAQYLSRUSA-N 1 1 379.504 3.576 50 0 GHAAMO O=S(=O)(NCCC[N@H+]1CCc2ccccc2C1)c1ccc2ccccc2c1 ZINC000072437176 208027205 /nfs/dbraw/zinc/02/72/05/208027205.db2.gz MAKNDTQMZPEUKX-UHFFFAOYSA-N 1 1 380.513 3.567 50 0 GHAAMO COc1cccc(NC(=O)C[NH+]2CCC(COCc3ccc(F)cc3)CC2)c1 ZINC000077191532 208037360 /nfs/dbraw/zinc/03/73/60/208037360.db2.gz YQFOUNPEFKOQHL-UHFFFAOYSA-N 1 1 386.467 3.702 50 0 GHAAMO Cc1noc(C)c1CC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000078994198 208068512 /nfs/dbraw/zinc/06/85/12/208068512.db2.gz LKWHNJSOMCRHLV-UHFFFAOYSA-N 1 1 381.520 3.881 50 0 GHAAMO Cc1ccccc1CCC(=O)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2 ZINC000082109530 208078607 /nfs/dbraw/zinc/07/86/07/208078607.db2.gz HLDHSPGUORXZFI-UHFFFAOYSA-N 1 1 380.536 3.589 50 0 GHAAMO O=C1CC[C@]2(CCC[N@H+](Cc3cccc(O)c3)C2)CN1CCc1ccccc1 ZINC000082096586 208080480 /nfs/dbraw/zinc/08/04/80/208080480.db2.gz PAJDSMZKAPJZBD-DEOSSOPVSA-N 1 1 378.516 3.840 50 0 GHAAMO Cc1cc(C)cc(C[N@H+]2CCC[C@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)c1 ZINC000091817857 208138401 /nfs/dbraw/zinc/13/84/01/208138401.db2.gz RTGTYIKKKHFDAL-DEOSSOPVSA-N 1 1 392.547 3.807 50 0 GHAAMO CCO[C@H]1CCC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000089986622 208112001 /nfs/dbraw/zinc/11/20/01/208112001.db2.gz YMCYLVVOOQGTEL-KRWDZBQOSA-N 1 1 376.298 3.907 50 0 GHAAMO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000089941672 208112790 /nfs/dbraw/zinc/11/27/90/208112790.db2.gz VVTJLUYIGMNWRI-QXAKKESOSA-N 1 1 382.508 3.971 50 0 GHAAMO O=C(CCC(F)(F)F)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095355696 208158166 /nfs/dbraw/zinc/15/81/66/208158166.db2.gz STUCQPASOLXAOK-CGTJXYLNSA-N 1 1 388.380 3.696 50 0 GHAAMO CCN1CC[C@]2(C[N@@H+](Cc3ccc(C)c4ccccc34)CCN2C)CCC1=O ZINC000091943955 208143818 /nfs/dbraw/zinc/14/38/18/208143818.db2.gz QWRQQZFFJGTBBX-DEOSSOPVSA-N 1 1 379.548 3.667 50 0 GHAAMO CCN1CC[C@]2(CN(Cc3ccc(C)c4ccccc34)CC[N@@H+]2C)CCC1=O ZINC000091943955 208143826 /nfs/dbraw/zinc/14/38/26/208143826.db2.gz QWRQQZFFJGTBBX-DEOSSOPVSA-N 1 1 379.548 3.667 50 0 GHAAMO CCN1CC[C@]2(CN(Cc3ccc(C)c4ccccc34)CC[N@H+]2C)CCC1=O ZINC000091943955 208143833 /nfs/dbraw/zinc/14/38/33/208143833.db2.gz QWRQQZFFJGTBBX-DEOSSOPVSA-N 1 1 379.548 3.667 50 0 GHAAMO C[C@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000095421211 208182499 /nfs/dbraw/zinc/18/24/99/208182499.db2.gz ALKRDWAKXJZOFO-WNLMNSNFSA-N 1 1 384.545 3.828 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000095466719 208190902 /nfs/dbraw/zinc/19/09/02/208190902.db2.gz GOSAUHSDKWUBLU-UGSOOPFHSA-N 1 1 394.393 3.852 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000095466719 208190907 /nfs/dbraw/zinc/19/09/07/208190907.db2.gz GOSAUHSDKWUBLU-UGSOOPFHSA-N 1 1 394.393 3.852 50 0 GHAAMO Cc1nc(C)c(CC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CCCc2ccccc2)C3)s1 ZINC000095503161 208203037 /nfs/dbraw/zinc/20/30/37/208203037.db2.gz GDLPDVWZDGEQCG-LEWJYISDSA-N 1 1 397.588 3.858 50 0 GHAAMO O=C(Nc1ccc2n[nH]cc2c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000095509108 208210844 /nfs/dbraw/zinc/21/08/44/208210844.db2.gz RVQUVIQWHYIJDC-UHFFFAOYSA-N 1 1 377.492 3.735 50 0 GHAAMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cnn(Cc3ccccc3)c2)C1 ZINC000095958318 208243566 /nfs/dbraw/zinc/24/35/66/208243566.db2.gz WNLNJCFMACBWIF-SFHVURJKSA-N 1 1 383.540 3.954 50 0 GHAAMO CCc1cc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)on1 ZINC000095510483 208212001 /nfs/dbraw/zinc/21/20/01/208212001.db2.gz JJUMUIJARPCDBI-HNNXBMFYSA-N 1 1 391.462 3.824 50 0 GHAAMO Cc1nnc(C[NH+]2CCC(CCC(=O)Nc3ccc(F)c(Cl)c3)CC2)[nH]1 ZINC000095531381 208230620 /nfs/dbraw/zinc/23/06/20/208230620.db2.gz AJTQJLQURTXTQU-UHFFFAOYSA-N 1 1 379.867 3.537 50 0 GHAAMO C[C@H]1CCCN(C(=O)c2ccc(N3CCC[N@@H+](Cc4cccs4)CC3)nc2)C1 ZINC000095958770 208244905 /nfs/dbraw/zinc/24/49/05/208244905.db2.gz ZRMZXMKXGRFOEK-SFHVURJKSA-N 1 1 398.576 3.728 50 0 GHAAMO C[N@H+](CCc1ccc(Br)cc1)Cc1nnc(C2CC2)n1C1CC1 ZINC000096008372 208253976 /nfs/dbraw/zinc/25/39/76/208253976.db2.gz ILTBVPAGYWLECY-UHFFFAOYSA-N 1 1 375.314 3.927 50 0 GHAAMO C[N@@H+](CCc1ccc(Br)cc1)Cc1nnc(C2CC2)n1C1CC1 ZINC000096008372 208253982 /nfs/dbraw/zinc/25/39/82/208253982.db2.gz ILTBVPAGYWLECY-UHFFFAOYSA-N 1 1 375.314 3.927 50 0 GHAAMO CCCn1cnc2cc(NC(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000096164086 208281814 /nfs/dbraw/zinc/28/18/14/208281814.db2.gz QYQGOLRSZFDCFB-UHFFFAOYSA-N 1 1 377.492 3.796 50 0 GHAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1ccccc1 ZINC000096924933 208330146 /nfs/dbraw/zinc/33/01/46/208330146.db2.gz SJKZCGQKDXNGND-SFHVURJKSA-N 1 1 391.496 3.808 50 0 GHAAMO CCCOc1ccc(/C=C\C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000097152395 208340370 /nfs/dbraw/zinc/34/03/70/208340370.db2.gz YQEKJSJAIUVHCB-XFXZXTDPSA-N 1 1 394.515 3.637 50 0 GHAAMO C[N@H+]1CCCC[C@@H]1C(=O)N(Cc1ccc2c(c1)OCO2)Cc1cccc(F)c1 ZINC000097713495 208362223 /nfs/dbraw/zinc/36/22/23/208362223.db2.gz NZZAUKXIFNZVKJ-LJQANCHMSA-N 1 1 384.451 3.568 50 0 GHAAMO O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000042384337 208429354 /nfs/dbraw/zinc/42/93/54/208429354.db2.gz VQVYIUFWPJZGIK-UHFFFAOYSA-N 1 1 377.463 3.821 50 0 GHAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)C2c3ccccc3Oc3ccccc32)C[C@H](C)O1 ZINC000021055771 208817209 /nfs/dbraw/zinc/81/72/09/208817209.db2.gz NSBSZOGEGJQLOO-IRXDYDNUSA-N 1 1 394.515 3.928 50 0 GHAAMO CSc1ccc(C[N@@H+](Cc2cnc(N3CCOCC3)s2)C2CC2)cc1 ZINC000244748480 209024463 /nfs/dbraw/zinc/02/44/63/209024463.db2.gz OIICZMQZEGBGML-UHFFFAOYSA-N 1 1 375.563 3.866 50 0 GHAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccccc2C)c1 ZINC000016352103 221360201 /nfs/dbraw/zinc/36/02/01/221360201.db2.gz ZBIMATNEKUXMAE-NRFANRHFSA-N 1 1 382.504 3.808 50 0 GHAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccccc2C)c1 ZINC000016352103 221360203 /nfs/dbraw/zinc/36/02/03/221360203.db2.gz ZBIMATNEKUXMAE-NRFANRHFSA-N 1 1 382.504 3.808 50 0 GHAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)cc1 ZINC000058021444 136154377 /nfs/dbraw/zinc/15/43/77/136154377.db2.gz NMGGUFGRSRAEMJ-UHFFFAOYSA-N 1 1 393.318 3.937 50 0 GHAAMO C[C@H](CNC(=O)Nc1ccc(N2CCCCC2)nc1)[N@@H+]1CCc2sccc2C1 ZINC000058329247 136155335 /nfs/dbraw/zinc/15/53/35/136155335.db2.gz XARVHMWIUNYUCC-MRXNPFEDSA-N 1 1 399.564 3.702 50 0 GHAAMO C[C@H](CNC(=O)Nc1ccc(N2CCCCC2)nc1)[N@H+]1CCc2sccc2C1 ZINC000058329247 136155336 /nfs/dbraw/zinc/15/53/36/136155336.db2.gz XARVHMWIUNYUCC-MRXNPFEDSA-N 1 1 399.564 3.702 50 0 GHAAMO Cn1cc(C[N@H+]2CCCC23CCN(c2ncccn2)CC3)c(-c2ccccc2)n1 ZINC000072480421 136171305 /nfs/dbraw/zinc/17/13/05/136171305.db2.gz KVZOHOVDGQZRQN-UHFFFAOYSA-N 1 1 388.519 3.512 50 0 GHAAMO NC(=O)C1CCN(c2ncccc2CNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000078445528 136172711 /nfs/dbraw/zinc/17/27/11/136172711.db2.gz VVUIGIWVFDMJLW-UHFFFAOYSA-N 1 1 395.894 3.597 50 0 GHAAMO COCCn1cc[nH+]c1[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000095523207 136181317 /nfs/dbraw/zinc/18/13/17/136181317.db2.gz DTBODQJDXSUDCF-QGZVFWFLSA-N 1 1 381.455 3.510 50 0 GHAAMO CCOc1ccc(N2C(=O)C[C@H](Nc3ccc([NH+]4CCCCC4)cc3)C2=O)cc1 ZINC000095531906 136181979 /nfs/dbraw/zinc/18/19/79/136181979.db2.gz KPRYXBDMTHBYNB-NRFANRHFSA-N 1 1 393.487 3.820 50 0 GHAAMO CC(C)[NH+]1CCN(C(=O)c2cccc(-c3cccc(C(F)(F)F)n3)c2)CC1 ZINC000426377855 529039473 /nfs/dbraw/zinc/03/94/73/529039473.db2.gz CJCABCZPGMVUOO-UHFFFAOYSA-N 1 1 377.410 3.934 50 0 GHAAMO CSc1cccc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000012891086 570286159 /nfs/dbraw/zinc/28/61/59/570286159.db2.gz AWRFFPOXKDWNFK-UHFFFAOYSA-N 1 1 383.517 3.698 50 0 GHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1F ZINC000012906435 570290242 /nfs/dbraw/zinc/29/02/42/570290242.db2.gz LOBMXVYXYOEXIV-CYBMUJFWSA-N 1 1 387.846 3.691 50 0 GHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1F ZINC000012906435 570290243 /nfs/dbraw/zinc/29/02/43/570290243.db2.gz LOBMXVYXYOEXIV-CYBMUJFWSA-N 1 1 387.846 3.691 50 0 GHAAMO CCNC(=O)[C@@H]1C[C@H](c2ccc(F)c(C)c2)C[N@@H+](Cc2cccc(OC)c2)C1 ZINC000034716718 570319593 /nfs/dbraw/zinc/31/95/93/570319593.db2.gz AFCZZFHJOPTTMO-VQTJNVASSA-N 1 1 384.495 3.885 50 0 GHAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cnc3n2[C@H](C)CCC3)c2ccccc2C)CC1 ZINC000034905033 570338944 /nfs/dbraw/zinc/33/89/44/570338944.db2.gz QDUBZTOHPANNGC-CTNGQTDRSA-N 1 1 394.563 3.775 50 0 GHAAMO CC(=O)c1ccc(N2C(=O)C[C@@H](Nc3ccc([NH+]4CCCCC4)cc3)C2=O)cc1 ZINC000004317809 570367601 /nfs/dbraw/zinc/36/76/01/570367601.db2.gz YOYZPLSWEKQZSV-OAQYLSRUSA-N 1 1 391.471 3.624 50 0 GHAAMO CC(C)C[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2nc(C3CC3)sc2n1 ZINC000035509776 570382089 /nfs/dbraw/zinc/38/20/89/570382089.db2.gz PSTHUTZXLPEYTE-UHFFFAOYSA-N 1 1 386.496 3.826 50 0 GHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2 ZINC000005132513 570423397 /nfs/dbraw/zinc/42/33/97/570423397.db2.gz BCUWERFBTMXEMD-HNNXBMFYSA-N 1 1 381.501 3.618 50 0 GHAAMO CCC(=O)c1ccc(OCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000241132723 570431250 /nfs/dbraw/zinc/43/12/50/570431250.db2.gz JLFGNJQBUIMOPL-GCJKJVERSA-N 1 1 394.515 3.685 50 0 GHAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000241132848 570431278 /nfs/dbraw/zinc/43/12/78/570431278.db2.gz JMDIKERZCWUWIL-SJBKTWHCSA-N 1 1 392.547 3.648 50 0 GHAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3cccc(OCC)c3)C[C@H]2CCO)cc1 ZINC000244678750 570433019 /nfs/dbraw/zinc/43/30/19/570433019.db2.gz IJECOQGOIMJFNV-JOCHJYFZSA-N 1 1 398.547 3.553 50 0 GHAAMO CCOc1ccc(C[N@H+]2CCN(Cc3cccc(OCC)c3)C[C@H]2CCO)cc1 ZINC000244678750 570433023 /nfs/dbraw/zinc/43/30/23/570433023.db2.gz IJECOQGOIMJFNV-JOCHJYFZSA-N 1 1 398.547 3.553 50 0 GHAAMO CCOc1ccc(CN2CC[N@H+](Cc3cccc(OCC)c3)C[C@H]2CCO)cc1 ZINC000244678750 570433026 /nfs/dbraw/zinc/43/30/26/570433026.db2.gz IJECOQGOIMJFNV-JOCHJYFZSA-N 1 1 398.547 3.553 50 0 GHAAMO CCOc1ccc(CN2CC[N@@H+](Cc3cccc(OCC)c3)C[C@H]2CCO)cc1 ZINC000244678750 570433029 /nfs/dbraw/zinc/43/30/29/570433029.db2.gz IJECOQGOIMJFNV-JOCHJYFZSA-N 1 1 398.547 3.553 50 0 GHAAMO COCC[N@H+]1CC[C@H](CNC(=O)c2ccccc2Nc2cccc(C)c2C)C1 ZINC000078757281 570509532 /nfs/dbraw/zinc/50/95/32/570509532.db2.gz ORZNORDTOPZARC-LJQANCHMSA-N 1 1 381.520 3.745 50 0 GHAAMO CN(C)c1ncccc1C[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000079097388 570509942 /nfs/dbraw/zinc/50/99/42/570509942.db2.gz VWVLUDDRPKXTFG-UHFFFAOYSA-N 1 1 382.508 3.735 50 0 GHAAMO O=C(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000072306835 570524636 /nfs/dbraw/zinc/52/46/36/570524636.db2.gz GAHRZTDTQJPNIA-FQEVSTJZSA-N 1 1 397.950 3.901 50 0 GHAAMO COc1ccc(C[N@@H+](CC(C)C)C[C@H](O)COc2ccccc2C)cc1OC ZINC000036095643 570535002 /nfs/dbraw/zinc/53/50/02/570535002.db2.gz WARDYMFVYZFMDF-FQEVSTJZSA-N 1 1 387.520 3.910 50 0 GHAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036103154 570540161 /nfs/dbraw/zinc/54/01/61/570540161.db2.gz OVQAKRJUVVVGAG-IBGZPJMESA-N 1 1 389.467 3.590 50 0 GHAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036103154 570540162 /nfs/dbraw/zinc/54/01/62/570540162.db2.gz OVQAKRJUVVVGAG-IBGZPJMESA-N 1 1 389.467 3.590 50 0 GHAAMO Cc1ccc(C(=O)N2CCC(CC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000032974198 570562757 /nfs/dbraw/zinc/56/27/57/570562757.db2.gz DOZXCOTVAZPVJG-FQEVSTJZSA-N 1 1 399.579 3.618 50 0 GHAAMO CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000225406504 570570509 /nfs/dbraw/zinc/57/05/09/570570509.db2.gz NIXGPBCAKFBDLL-INIZCTEOSA-N 1 1 395.532 3.659 50 0 GHAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COC ZINC000036249862 570585375 /nfs/dbraw/zinc/58/53/75/570585375.db2.gz HDMJVOWEUTVEPH-IBGZPJMESA-N 1 1 387.524 3.551 50 0 GHAAMO Cc1ccc(-n2cc(C[N@H+]3CCCN(C=O)CC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000011839475 570586775 /nfs/dbraw/zinc/58/67/75/570586775.db2.gz GKBQVYRWKXMBBT-UHFFFAOYSA-N 1 1 392.478 3.651 50 0 GHAAMO O=C(NC[C@H]1CCC2(CC[NH+](Cc3c(F)cccc3F)CC2)O1)c1ccco1 ZINC000012034654 570599992 /nfs/dbraw/zinc/59/99/92/570599992.db2.gz TYKFVFIEJNCQSK-OAHLLOKOSA-N 1 1 390.430 3.501 50 0 GHAAMO CC[C@@H](C)[N@H+](Cc1cc(OC)cc(OC)c1)C[C@@H](O)COCc1ccccc1 ZINC000169679474 570600569 /nfs/dbraw/zinc/60/05/69/570600569.db2.gz COKNMSMXURZPFI-WIYYLYMNSA-N 1 1 387.520 3.882 50 0 GHAAMO CN(C)c1cccc(C(=O)N(CCc2ccccc2)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000012075061 570605327 /nfs/dbraw/zinc/60/53/27/570605327.db2.gz XKNWZDXHCSOKEQ-OAQYLSRUSA-N 1 1 379.548 3.779 50 0 GHAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000006806260 570607013 /nfs/dbraw/zinc/60/70/13/570607013.db2.gz APPNNINXEOUGFR-MRXNPFEDSA-N 1 1 386.565 3.891 50 0 GHAAMO CCCC[N@@H+](C)CCCNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000006807047 570607550 /nfs/dbraw/zinc/60/75/50/570607550.db2.gz AXIMZGKWNUIZBI-UHFFFAOYSA-N 1 1 379.508 3.515 50 0 GHAAMO O=C1N(c2ccccc2)C[C@@H]2C[C@@H](c3cccn3-c3ccccn3)[N@H+]3CCC[C@@]123 ZINC000012200629 570624309 /nfs/dbraw/zinc/62/43/09/570624309.db2.gz ZRKBCUQCDFCYJF-XZOYJPPVSA-N 1 1 384.483 3.815 50 0 GHAAMO Cn1c(C[N@@H+]2CCC[C@@](CO)(CCOc3ccccc3)C2)nc2ccccc21 ZINC000012298114 570634631 /nfs/dbraw/zinc/63/46/31/570634631.db2.gz ODARENZKYNHIAW-HSZRJFAPSA-N 1 1 379.504 3.617 50 0 GHAAMO Cn1c(C[N@H+]2CCC[C@@](CO)(CCOc3ccccc3)C2)nc2ccccc21 ZINC000012298114 570634634 /nfs/dbraw/zinc/63/46/34/570634634.db2.gz ODARENZKYNHIAW-HSZRJFAPSA-N 1 1 379.504 3.617 50 0 GHAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)CCc1cccnc1 ZINC000012303963 570637695 /nfs/dbraw/zinc/63/76/95/570637695.db2.gz YKLSEOANCOLFKY-FQEVSTJZSA-N 1 1 383.511 3.566 50 0 GHAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CCc3cccnc3)C2)cc1 ZINC000012304481 570637992 /nfs/dbraw/zinc/63/79/92/570637992.db2.gz RKIUOYAFNMHFAR-QHCPKHFHSA-N 1 1 379.548 3.994 50 0 GHAAMO Cc1ccccc1OCCn1cc(C(=S)N2CC[NH+](C)CC2)c2ccccc21 ZINC000004607824 570661892 /nfs/dbraw/zinc/66/18/92/570661892.db2.gz VEJZRVBLKGZKPW-UHFFFAOYSA-N 1 1 393.556 3.952 50 0 GHAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4occc4C)C3)C2)c1 ZINC000012438729 570663034 /nfs/dbraw/zinc/66/30/34/570663034.db2.gz FHXHKGHBXWXPED-JOCHJYFZSA-N 1 1 386.467 3.864 50 0 GHAAMO CC1(C)[C@H](OC[C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)[C@]2(C)CC[C@H]1C2 ZINC000229884486 570667351 /nfs/dbraw/zinc/66/73/51/570667351.db2.gz HTSQZYKYGVUADL-ZVEOBBNSSA-N 1 1 390.543 3.540 50 0 GHAAMO COc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3OC)C2)cc1 ZINC000012474291 570673265 /nfs/dbraw/zinc/67/32/65/570673265.db2.gz JQJTVGOEAXSSJT-IBGZPJMESA-N 1 1 396.531 3.731 50 0 GHAAMO COc1ccccc1OCC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000036392051 570675194 /nfs/dbraw/zinc/67/51/94/570675194.db2.gz XTZWYRBNZYDXRP-SFHVURJKSA-N 1 1 382.504 3.765 50 0 GHAAMO COc1ccc(CC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000036397790 570682667 /nfs/dbraw/zinc/68/26/67/570682667.db2.gz AKUFQBOBSQPHMT-SFHVURJKSA-N 1 1 396.531 3.937 50 0 GHAAMO COc1ccc(OCC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000036398540 570683552 /nfs/dbraw/zinc/68/35/52/570683552.db2.gz MYRJGKIMFAEXFL-SFHVURJKSA-N 1 1 382.504 3.622 50 0 GHAAMO CSc1nc(C(=O)N(C)[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cs1 ZINC000012585962 570685384 /nfs/dbraw/zinc/68/53/84/570685384.db2.gz GUFMZPWVJFTIFW-MRXNPFEDSA-N 1 1 387.574 3.569 50 0 GHAAMO Cc1ccsc1C[N@H+](Cc1ccc(CN(C)S(C)(=O)=O)o1)CC(C)C ZINC000055182933 570686361 /nfs/dbraw/zinc/68/63/61/570686361.db2.gz SBZWAFIGTBIGRG-UHFFFAOYSA-N 1 1 384.567 3.699 50 0 GHAAMO CCc1oc(C(=O)N(C)Cc2nc3ccc(C)cc3[nH]2)cc1C[NH+]1CCCC1 ZINC000055284273 570690279 /nfs/dbraw/zinc/69/02/79/570690279.db2.gz MBVCYVZDHGRTOZ-UHFFFAOYSA-N 1 1 380.492 3.895 50 0 GHAAMO CC[N@H+]1CCC[C@@](C)(C(=O)Nc2ccc(OC)c(NC(=O)c3ccco3)c2)C1 ZINC000055369495 570692694 /nfs/dbraw/zinc/69/26/94/570692694.db2.gz ALCKRSJQLQBYBZ-OAQYLSRUSA-N 1 1 385.464 3.601 50 0 GHAAMO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2c(C)nn(C)c2Cl)CC1 ZINC000012712531 570703152 /nfs/dbraw/zinc/70/31/52/570703152.db2.gz HOZBIDKRMBREBR-UHFFFAOYSA-N 1 1 389.927 3.770 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4cc(C)ccc4O)C3)C2)c1 ZINC000012714448 570703911 /nfs/dbraw/zinc/70/39/11/570703911.db2.gz UDTCUSDIUULXNP-XMMPIXPASA-N 1 1 394.515 3.838 50 0 GHAAMO CCOc1ncccc1C(=O)Nc1nc(C[NH+]2CCCCC2)nc2ccccc21 ZINC000011164663 570709877 /nfs/dbraw/zinc/70/98/77/570709877.db2.gz GRWJZSUPXJEDHJ-UHFFFAOYSA-N 1 1 391.475 3.662 50 0 GHAAMO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)Nc2ccc(Cl)cn2)CC1 ZINC000180967626 570725989 /nfs/dbraw/zinc/72/59/89/570725989.db2.gz PZIMNNHLFYPUEN-UHFFFAOYSA-N 1 1 397.910 3.923 50 0 GHAAMO CC(C)n1cc(-c2cc(C(=O)N3CCC[N@@H+](C)C[C@H]3C)c3ccccc3n2)cn1 ZINC000063856749 570751856 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COCCc1noc([C@@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)n1 ZINC000824462343 864051087 /nfs/dbraw/zinc/05/10/87/864051087.db2.gz HYWWVCSUPRHFBO-MRXNPFEDSA-N 1 1 384.505 3.762 50 0 GHAAMO Clc1ccc(-n2ccc(C[NH+]3CCC(OC[C@@H]4CCCO4)CC3)n2)cc1 ZINC000184609850 864759049 /nfs/dbraw/zinc/75/90/49/864759049.db2.gz SSGIPXSZMXZHSQ-FQEVSTJZSA-N 1 1 375.900 3.686 50 0 GHAAMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000173821993 865118174 /nfs/dbraw/zinc/11/81/74/865118174.db2.gz JTQVKFBTDOGAMB-AWEZNQCLSA-N 1 1 395.334 3.983 50 0 GHAAMO c1ccc(CNc2ncc(C[NH+]3CCC(Oc4ccncc4)CC3)cn2)cc1 ZINC000829069291 865384117 /nfs/dbraw/zinc/38/41/17/865384117.db2.gz XVSKQPGNIQAJEU-UHFFFAOYSA-N 1 1 375.476 3.527 50 0 GHAAMO CC(C)(C)C(=O)Nc1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nc1 ZINC000034681844 865678201 /nfs/dbraw/zinc/67/82/01/865678201.db2.gz LJFCYKBUDJTGCV-UHFFFAOYSA-N 1 1 384.499 3.918 50 0 GHAAMO Cc1nnc(-c2cccc(C(=O)N3CC[N@H+](Cc4ccccc4)C(C)(C)C3)c2)o1 ZINC000174643644 868982055 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COc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc(Cl)c1OC ZINC000006862697 206687280 /nfs/dbraw/zinc/68/72/80/206687280.db2.gz JUWHLFVXEUXLRK-INIZCTEOSA-N 1 1 392.883 3.907 50 0 GHAAMO COc1ccc(-c2noc(C[NH+]3CCC(OCc4ccccc4)CC3)n2)cc1 ZINC000012589231 206917379 /nfs/dbraw/zinc/91/73/79/206917379.db2.gz GZJCBOTVWIJLQX-UHFFFAOYSA-N 1 1 379.460 3.926 50 0 GHAAMO C[NH+]1CCN(C(=O)c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)CC1 ZINC000014554195 207023263 /nfs/dbraw/zinc/02/32/63/207023263.db2.gz SUKLZNPFIDKPSQ-UHFFFAOYSA-N 1 1 379.504 3.624 50 0 GHAAMO COc1c(C)cc(C(=O)[C@@H]2CCC[N@H+](Cc3cnc(N(C)C)s3)C2)cc1C ZINC000014966066 207035763 /nfs/dbraw/zinc/03/57/63/207035763.db2.gz BNZRWWFHWGATCO-MRXNPFEDSA-N 1 1 387.549 3.929 50 0 GHAAMO COc1c(C)cc(C(=O)[C@@H]2CCC[N@@H+](Cc3cnc(N(C)C)s3)C2)cc1C ZINC000014966066 207035767 /nfs/dbraw/zinc/03/57/67/207035767.db2.gz BNZRWWFHWGATCO-MRXNPFEDSA-N 1 1 387.549 3.929 50 0 GHAAMO O=C1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)CCN1Cc1ccccc1Cl ZINC000014990116 207039471 /nfs/dbraw/zinc/03/94/71/207039471.db2.gz TYNMLAVKEZNJNK-UHFFFAOYSA-N 1 1 394.906 3.760 50 0 GHAAMO O=C1CC[N@H+](Cc2cnn(-c3ccccc3)c2)CCN1Cc1ccccc1Cl ZINC000014990116 207039475 /nfs/dbraw/zinc/03/94/75/207039475.db2.gz TYNMLAVKEZNJNK-UHFFFAOYSA-N 1 1 394.906 3.760 50 0 GHAAMO CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@H]([N@@H+](C)Cc1ccco1)CC2 ZINC000014752314 207030355 /nfs/dbraw/zinc/03/03/55/207030355.db2.gz ZVILMCUIGPGNIN-GOSISDBHSA-N 1 1 398.551 3.748 50 0 GHAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@H](CO)C2)c1 ZINC000015080689 207046836 /nfs/dbraw/zinc/04/68/36/207046836.db2.gz VUTSMPJPEXYBQA-SFHVURJKSA-N 1 1 377.488 3.752 50 0 GHAAMO O=C(CCn1cnc2ccccc21)N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000015065753 207042200 /nfs/dbraw/zinc/04/22/00/207042200.db2.gz CQPXSUAHXDLYTR-NRFANRHFSA-N 1 1 390.531 3.640 50 0 GHAAMO COc1ccc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@@H+]24)cc1 ZINC000019536877 207131178 /nfs/dbraw/zinc/13/11/78/207131178.db2.gz VOQDUWCAOARIMP-PTLVVNQVSA-N 1 1 392.499 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Cc1c2ccccc2oc1C[N@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000091657336 208131857 /nfs/dbraw/zinc/13/18/57/208131857.db2.gz QLNARLWMRYKNDY-UHFFFAOYSA-N 1 1 392.503 3.760 50 0 GHAAMO CCC(CC)NC(=O)[C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091679722 208133349 /nfs/dbraw/zinc/13/33/49/208133349.db2.gz DHWUSBUWEZQFTK-NRFANRHFSA-N 1 1 397.607 3.635 50 0 GHAAMO CCC(CC)NC(=O)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091679722 208133355 /nfs/dbraw/zinc/13/33/55/208133355.db2.gz DHWUSBUWEZQFTK-NRFANRHFSA-N 1 1 397.607 3.635 50 0 GHAAMO C[N@H+](Cc1ccccc1)CC(C)(C)NCC(=O)Nc1ccccc1OC(F)F ZINC000089761687 208109102 /nfs/dbraw/zinc/10/91/02/208109102.db2.gz KQLUAZLSFNFUKI-UHFFFAOYSA-N 1 1 391.462 3.727 50 0 GHAAMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCC(=O)Nc1ccccc1OC(F)F ZINC000089761687 208109111 /nfs/dbraw/zinc/10/91/11/208109111.db2.gz KQLUAZLSFNFUKI-UHFFFAOYSA-N 1 1 391.462 3.727 50 0 GHAAMO Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(C)c(F)c1F)C2 ZINC000091416757 208118046 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3.902 50 0 GHAAMO Cc1ccc([C@H]2[NH+]=C(NCc3ccc(Cl)cc3)Nc3nc(C)cc(=O)n32)cc1 ZINC000100134425 208371731 /nfs/dbraw/zinc/37/17/31/208371731.db2.gz GABAKYXNRDLJOA-IBGZPJMESA-N 1 1 393.878 3.632 50 0 GHAAMO CCN1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 ZINC000022918288 208855321 /nfs/dbraw/zinc/85/53/21/208855321.db2.gz ZRKUPALXWBWCIU-IBGZPJMESA-N 1 1 376.585 3.659 50 0 GHAAMO O=C(C[C@@H]1[NH2+][C@@H]2CCCC[C@H]2NC1=O)Nc1ccccc1Sc1ccccc1 ZINC000239203222 209018007 /nfs/dbraw/zinc/01/80/07/209018007.db2.gz RZMQOSLRWYACBH-LMMKCTJWSA-N 1 1 395.528 3.566 50 0 GHAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(C4CCC4)cc3)cc2)C1 ZINC000240423759 209018806 /nfs/dbraw/zinc/01/88/06/209018806.db2.gz FQPVABSALNBENM-OAQYLSRUSA-N 1 1 391.515 3.904 50 0 GHAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)Nc2ccc(F)cc2)CC1 ZINC000058021422 136154203 /nfs/dbraw/zinc/15/42/03/136154203.db2.gz LYHACUYTAHSLJV-UHFFFAOYSA-N 1 1 390.890 3.731 50 0 GHAAMO Nc1ncccc1C[N@H+]1CCCC12CCN(c1ccc(C(F)(F)F)cn1)CC2 ZINC000072481054 136171421 /nfs/dbraw/zinc/17/14/21/136171421.db2.gz MQSWEZAUVVOUMR-UHFFFAOYSA-N 1 1 391.441 3.713 50 0 GHAAMO CN1CCN2c3c(cccc31)[C@@H]1C[N@H+](CCCC(=O)c3ccc(F)cc3)CC[C@@H]12 ZINC000116262036 136192285 /nfs/dbraw/zinc/19/22/85/136192285.db2.gz HOIIHACBCFLJET-SFTDATJTSA-N 1 1 393.506 3.917 50 0 investigational GHAAMO CCCn1c(-c2cccc(C(=O)N3CC[NH+](C(C)C)CC3)c2)nc2cccnc21 ZINC000065172842 222106088 /nfs/dbraw/zinc/10/60/88/222106088.db2.gz DIYKXFGPIKCFTQ-UHFFFAOYSA-N 1 1 391.519 3.675 50 0 GHAAMO COc1cc(F)ccc1C[N@H+]1CC[C@]2(OC)CC[C@H](Oc3ccccn3)C[C@H]12 ZINC000426387776 534017485 /nfs/dbraw/zinc/01/74/85/534017485.db2.gz AOSKMYNHBCYDFA-RCZSKKKRSA-N 1 1 386.467 3.820 50 0 GHAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCCCCCC1 ZINC000082098944 526537588 /nfs/dbraw/zinc/53/75/88/526537588.db2.gz NNARMSWJVHMLGQ-QFIPXVFZSA-N 1 1 398.595 3.551 50 0 GHAAMO CC[N@@H+](C)CCN(C)C(=O)c1cccc(-c2cnn(Cc3ccccc3)c2)c1 ZINC000426535296 527794637 /nfs/dbraw/zinc/79/46/37/527794637.db2.gz YESPVINZXYVNOZ-UHFFFAOYSA-N 1 1 376.504 3.622 50 0 GHAAMO CCCOc1c(C[N@H+]2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)cc(Cl)cc1OC ZINC000426510589 528612133 /nfs/dbraw/zinc/61/21/33/528612133.db2.gz FPDOLJOAJGQIIR-IMFGXOCKSA-N 1 1 383.916 3.642 50 0 GHAAMO CCc1cc2c(nc(C)nc2N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)s1 ZINC000008704574 536158483 /nfs/dbraw/zinc/15/84/83/536158483.db2.gz OFEYBVFGRZLUDC-UHFFFAOYSA-N 1 1 396.516 3.613 50 0 GHAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H](C)c2cccc(F)c2)CC1 ZINC000049796776 570272605 /nfs/dbraw/zinc/27/26/05/570272605.db2.gz PEWOBLFMZYHGDH-SFHVURJKSA-N 1 1 398.526 3.524 50 0 GHAAMO c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2OCCN2CCOCC2)nc1 ZINC000216156071 570296804 /nfs/dbraw/zinc/29/68/04/570296804.db2.gz LWCUUSLITLHVNS-QFIPXVFZSA-N 1 1 381.520 3.520 50 0 GHAAMO CC1=C2C[C@@H]3[C@H](C[N@@H+](C)C[C@H](O)c4ccc(O)cc4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000035361951 570344559 /nfs/dbraw/zinc/34/45/59/570344559.db2.gz DNZIKYSLYLRNLJ-KOPUSNGTSA-N 1 1 399.531 3.816 50 0 biogenic GHAAMO O=c1cc(-c2ccccc2Cl)nc(-c2ccc(C[N@@H+]3CCC[C@@H](O)C3)cc2)[nH]1 ZINC000023429778 570362496 /nfs/dbraw/zinc/36/24/96/570362496.db2.gz REJAOOGMITZJLI-QGZVFWFLSA-N 1 1 395.890 3.714 50 0 GHAAMO Cc1cc(C)c(S(=O)(=O)N2CCC(C[N@@H+]3CCC[C@@H](C)C3)CC2)c(C)c1 ZINC000032951947 570428350 /nfs/dbraw/zinc/42/83/50/570428350.db2.gz DFYQQMKNCLOQJI-MRXNPFEDSA-N 1 1 378.582 3.744 50 0 GHAAMO COCCCOc1cc(C[NH2+][C@H](C)c2nc3ccccc3n2C)ccc1OC ZINC000072289954 570483352 /nfs/dbraw/zinc/48/33/52/570483352.db2.gz MLEHGJRWCWMYSH-MRXNPFEDSA-N 1 1 383.492 3.848 50 0 GHAAMO COCCCOc1cc(C[NH2+][C@@H](C)c2nc3ccccc3n2C)ccc1OC ZINC000072289953 570483558 /nfs/dbraw/zinc/48/35/58/570483558.db2.gz MLEHGJRWCWMYSH-INIZCTEOSA-N 1 1 383.492 3.848 50 0 GHAAMO COc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC000072294153 570496363 /nfs/dbraw/zinc/49/63/63/570496363.db2.gz PFKYISZJIJCRCO-QGZVFWFLSA-N 1 1 383.492 3.832 50 0 GHAAMO COc1cccc(C[N@H+](Cc2ccco2)C[C@@H](O)COCc2ccccc2)c1 ZINC000036098196 570536442 /nfs/dbraw/zinc/53/64/42/570536442.db2.gz IZHLPRWVXAHHJC-OAQYLSRUSA-N 1 1 381.472 3.868 50 0 GHAAMO COc1cccc(C[N@H+](Cc2ccccc2)C[C@H](O)COC(C)(C)C)c1OC ZINC000036103656 570540396 /nfs/dbraw/zinc/54/03/96/570540396.db2.gz KJJCSUZGEAJQOS-FQEVSTJZSA-N 1 1 387.520 3.882 50 0 GHAAMO COc1ccc2cc([C@H](C)C(=O)NCCC[N@H+]3CCCO[C@@H](C)C3)ccc2c1 ZINC000225462233 570576883 /nfs/dbraw/zinc/57/68/83/570576883.db2.gz VVGRTSVBQAKVQI-ROUUACIJSA-N 1 1 384.520 3.569 50 0 GHAAMO COc1cccc(C[C@]2(CO)CCC[N@@H+](Cc3ccc(OC)c(C)c3OC)C2)c1 ZINC000011661281 570577015 /nfs/dbraw/zinc/57/70/15/570577015.db2.gz NMAPLBYIYYRWTA-XMMPIXPASA-N 1 1 399.531 3.838 50 0 GHAAMO Cc1[nH]c2c(cccc2C(=O)NCC[N@@H+]2Cc3ccccc3O[C@H](C)C2)c1C ZINC000011788909 570582922 /nfs/dbraw/zinc/58/29/22/570582922.db2.gz DCKVMJUPUIFDHM-OAHLLOKOSA-N 1 1 377.488 3.798 50 0 GHAAMO Cc1[nH]c2c(cccc2C(=O)NCC[N@H+]2Cc3ccccc3O[C@H](C)C2)c1C ZINC000011788909 570582923 /nfs/dbraw/zinc/58/29/23/570582923.db2.gz DCKVMJUPUIFDHM-OAHLLOKOSA-N 1 1 377.488 3.798 50 0 GHAAMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)CC1 ZINC000225567817 570588812 /nfs/dbraw/zinc/58/88/12/570588812.db2.gz CXXLSGCXYDUXHW-YWZLYKJASA-N 1 1 393.487 3.668 50 0 GHAAMO Cc1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)[nH]n1 ZINC000011936338 570594105 /nfs/dbraw/zinc/59/41/05/570594105.db2.gz UMZHIEGGKKPTEI-MRXNPFEDSA-N 1 1 381.505 3.692 50 0 GHAAMO COc1cc(C[N@@H+](C)C[C@H]2CCCN(CCc3ccccc3F)C2)ccc1O ZINC000012005207 570598318 /nfs/dbraw/zinc/59/83/18/570598318.db2.gz CTGLXJQZZPXNDN-LJQANCHMSA-N 1 1 386.511 3.926 50 0 GHAAMO COc1cc(CN(C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)ccc1O ZINC000012005207 570598319 /nfs/dbraw/zinc/59/83/19/570598319.db2.gz CTGLXJQZZPXNDN-LJQANCHMSA-N 1 1 386.511 3.926 50 0 GHAAMO COc1cc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccccc3F)C2)ccc1O ZINC000012005207 570598320 /nfs/dbraw/zinc/59/83/20/570598320.db2.gz CTGLXJQZZPXNDN-LJQANCHMSA-N 1 1 386.511 3.926 50 0 GHAAMO COc1cccc(CN2C[C@@H]3C[C@@H](c4ccccc4OC)[N@H+]4CCC[C@@]34C2=O)c1 ZINC000012057659 570602961 /nfs/dbraw/zinc/60/29/61/570602961.db2.gz XAACHJWJQQGCMZ-XZOYJPPVSA-N 1 1 392.499 3.642 50 0 GHAAMO CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)C[N@H+]1CCCC[C@H]1C ZINC000006820504 570622060 /nfs/dbraw/zinc/62/20/60/570622060.db2.gz FXCUYEICWAPJFF-MRXNPFEDSA-N 1 1 398.503 3.735 50 0 GHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)/C=C/c2cccnc2)C1 ZINC000012303686 570637546 /nfs/dbraw/zinc/63/75/46/570637546.db2.gz CWPXTSICQPIHGV-LEQVUBRHSA-N 1 1 377.532 3.816 50 0 GHAAMO CCc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)o1 ZINC000012385949 570651039 /nfs/dbraw/zinc/65/10/39/570651039.db2.gz ZJKXILASFNYTRF-KRWDZBQOSA-N 1 1 378.476 3.878 50 0 GHAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)C(=O)Cc3ccccc3C)C2)cc1 ZINC000012386223 570651526 /nfs/dbraw/zinc/65/15/26/570651526.db2.gz XXAPAYKKSLXEAS-JOCHJYFZSA-N 1 1 394.559 3.959 50 0 GHAAMO COc1cc(-c2nc(C[N@H+]3CCCC[C@H]3CCNC(C)=O)c(C)o2)ccc1F ZINC000012430709 570659011 /nfs/dbraw/zinc/65/90/11/570659011.db2.gz STGHRSQPTIPZBA-KRWDZBQOSA-N 1 1 389.471 3.678 50 0 GHAAMO Cc1nnsc1C(=O)Nc1ccc(Nc2cc(C)[nH+]c(N3CCCC3)n2)cc1 ZINC000049028126 570661997 /nfs/dbraw/zinc/66/19/97/570661997.db2.gz GYTLZZQCBRTZHX-UHFFFAOYSA-N 1 1 395.492 3.541 50 0 GHAAMO O=C(/C=C/c1ccccn1)N1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000012438452 570663002 /nfs/dbraw/zinc/66/30/02/570663002.db2.gz ZYMLSEBCANCJFS-NFPSEPLVSA-N 1 1 375.516 3.652 50 0 GHAAMO CCc1nc(C)c(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccc(OC)cc3)C2)[nH]1 ZINC000012445840 570666140 /nfs/dbraw/zinc/66/61/40/570666140.db2.gz LKLCHMFYPKSUSD-FQEVSTJZSA-N 1 1 384.568 3.676 50 0 GHAAMO Cc1ccc(C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000153047813 570670403 /nfs/dbraw/zinc/67/04/03/570670403.db2.gz KQLOLMBOGUMBIW-IBGZPJMESA-N 1 1 375.476 3.594 50 0 GHAAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cccc(C[S@](C)=O)c1 ZINC000036392170 570675135 /nfs/dbraw/zinc/67/51/35/570675135.db2.gz XWHOJLBYICDVBV-KWMCUTETSA-N 1 1 398.572 3.870 50 0 GHAAMO CSc1nc(C(=O)N(C)[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cs1 ZINC000012585968 570685599 /nfs/dbraw/zinc/68/55/99/570685599.db2.gz GUFMZPWVJFTIFW-INIZCTEOSA-N 1 1 387.574 3.569 50 0 GHAAMO COc1ccc(OC)c(C[N@@H+]2CCC[C@H](C(=O)c3ccc(OC)c(F)c3)C2)c1 ZINC000012589423 570686581 /nfs/dbraw/zinc/68/65/81/570686581.db2.gz PCMXONYRRHYYBB-INIZCTEOSA-N 1 1 387.451 3.946 50 0 GHAAMO COc1ccc(OC)c(C[N@H+]2CCC[C@H](C(=O)c3ccc(OC)c(F)c3)C2)c1 ZINC000012589423 570686583 /nfs/dbraw/zinc/68/65/83/570686583.db2.gz PCMXONYRRHYYBB-INIZCTEOSA-N 1 1 387.451 3.946 50 0 GHAAMO C[N@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)Cc2c(F)cccc2F)C1 ZINC000012595640 570689282 /nfs/dbraw/zinc/68/92/82/570689282.db2.gz RJSVRUBFPZVFJN-IBGZPJMESA-N 1 1 386.486 3.920 50 0 GHAAMO CC[C@@H](Nc1cccc(OC)c1)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000055369990 570692815 /nfs/dbraw/zinc/69/28/15/570692815.db2.gz BWPZPJLHMBTBLG-HXUWFJFHSA-N 1 1 378.476 3.696 50 0 GHAAMO Cc1c(C[N@H+]2CCC[C@@H](Nc3cccc(F)c3)C2)c(=O)n(-c2ccccc2)n1C ZINC000055368585 570692960 /nfs/dbraw/zinc/69/29/60/570692960.db2.gz CUUDTGYJVQWHMY-HXUWFJFHSA-N 1 1 394.494 3.700 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@@H](NC(=O)C3(c4ccccc4F)CC3)C2)c1 ZINC000012712499 570703306 /nfs/dbraw/zinc/70/33/06/570703306.db2.gz SPGRKOHMMRBDID-GOSISDBHSA-N 1 1 382.479 3.647 50 0 GHAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cnn(-c2ccc(F)cc2)c1C ZINC000058113283 570709773 /nfs/dbraw/zinc/70/97/73/570709773.db2.gz ZBKHQUXYAGPNEK-UHFFFAOYSA-N 1 1 389.434 3.744 50 0 GHAAMO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2nn3c(nc(C)cc3=O)s2)cc1 ZINC000012807017 570719028 /nfs/dbraw/zinc/71/90/28/570719028.db2.gz VYMKAGKJBLLDRR-KRWDZBQOSA-N 1 1 384.505 3.585 50 0 GHAAMO CCCCOCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000058330796 570727919 /nfs/dbraw/zinc/72/79/19/570727919.db2.gz KRHSBOCFVMJOMW-HXUWFJFHSA-N 1 1 399.535 3.877 50 0 GHAAMO C[NH+](C)[C@H](CNC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1Cl ZINC000032700109 570749320 /nfs/dbraw/zinc/74/93/20/570749320.db2.gz GKSMNYRWCMRSRK-HXUWFJFHSA-N 1 1 386.923 3.807 50 0 GHAAMO CC[C@H](CO)[N@@H+](Cc1cccs1)Cc1cc(=O)n2c3c(cccc13)CCC2 ZINC000063855295 570751277 /nfs/dbraw/zinc/75/12/77/570751277.db2.gz FPPJKCUGWGXMOY-GOSISDBHSA-N 1 1 382.529 3.782 50 0 GHAAMO NC(=O)[C@H]1CCC[N@@H+](CCCn2cnc(-c3ccccc3)c2-c2ccsc2)C1 ZINC000065421137 570767379 /nfs/dbraw/zinc/76/73/79/570767379.db2.gz HOLHWRSMMXEXLM-SFHVURJKSA-N 1 1 394.544 3.866 50 0 GHAAMO COc1cc(C[N@H+]2CC[C@H](c3ccnc(-c4ccncc4)c3)C2)cc2c1OCO2 ZINC000065453025 570769155 /nfs/dbraw/zinc/76/91/55/570769155.db2.gz IOOWTNHWVDAYIC-IBGZPJMESA-N 1 1 389.455 3.870 50 0 GHAAMO COCC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2c(n1)sc1c2CCCC1 ZINC000033068949 570773893 /nfs/dbraw/zinc/77/38/93/570773893.db2.gz RGPFGDXTPHLMGC-UHFFFAOYSA-N 1 1 397.544 3.592 50 0 GHAAMO COCC[N@@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2c(n1)sc1c2CCCC1 ZINC000033068949 570773895 /nfs/dbraw/zinc/77/38/95/570773895.db2.gz RGPFGDXTPHLMGC-UHFFFAOYSA-N 1 1 397.544 3.592 50 0 GHAAMO Nc1cc[nH+]c(N2CCc3onc(C(c4ccccc4)c4ccccc4)c3C2)n1 ZINC000067542251 570781496 /nfs/dbraw/zinc/78/14/96/570781496.db2.gz UKTGRRYGGAGRBO-UHFFFAOYSA-N 1 1 383.455 3.790 50 0 GHAAMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000032754454 570797198 /nfs/dbraw/zinc/79/71/98/570797198.db2.gz PLQVQGUKVKTJDT-KRWDZBQOSA-N 1 1 393.487 3.901 50 0 GHAAMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000032754454 570797202 /nfs/dbraw/zinc/79/72/02/570797202.db2.gz PLQVQGUKVKTJDT-KRWDZBQOSA-N 1 1 393.487 3.901 50 0 GHAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000067975673 570799500 /nfs/dbraw/zinc/79/95/00/570799500.db2.gz ROAAIBNSKYLOAY-CABCVRRESA-N 1 1 379.382 3.522 50 0 GHAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000067975673 570799503 /nfs/dbraw/zinc/79/95/03/570799503.db2.gz ROAAIBNSKYLOAY-CABCVRRESA-N 1 1 379.382 3.522 50 0 GHAAMO C[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCc2ccccc21 ZINC000032778015 570800298 /nfs/dbraw/zinc/80/02/98/570800298.db2.gz FCZWEIFPLBUGFX-HSZRJFAPSA-N 1 1 395.522 3.874 50 0 GHAAMO COc1ccc2nc3oc(C(=O)NCC[N@@H+](C)C4CCCCC4)cc3cc2c1 ZINC000065331045 570801436 /nfs/dbraw/zinc/80/14/36/570801436.db2.gz YPZALYKEPGWBCF-UHFFFAOYSA-N 1 1 381.476 3.984 50 0 GHAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000007406358 570838038 /nfs/dbraw/zinc/83/80/38/570838038.db2.gz FNNDUOWODLAMCU-MRXNPFEDSA-N 1 1 377.282 3.999 50 0 GHAAMO CC(C)[C@@H]1CN(C(=O)CCc2cccnc2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071662326 570842471 /nfs/dbraw/zinc/84/24/71/570842471.db2.gz LFANDJFNPXWMQU-QFIPXVFZSA-N 1 1 383.511 3.912 50 0 GHAAMO CCc1[nH]c2ccc(CNC(=O)[C@H](c3cccnc3)[NH+]3CCCC3)cc2c1C ZINC000071712289 570843207 /nfs/dbraw/zinc/84/32/07/570843207.db2.gz MZKKBJQUGGWPLW-QFIPXVFZSA-N 1 1 376.504 3.887 50 0 GHAAMO COc1ccccc1OCC[N@@H+]1CCC[C@@H](C(=O)c2cc(F)ccc2F)C1 ZINC000071774397 570852551 /nfs/dbraw/zinc/85/25/51/570852551.db2.gz WVLCQGVUGUBKGL-OAHLLOKOSA-N 1 1 375.415 3.947 50 0 GHAAMO COc1ccccc1OCC[N@H+]1CCC[C@@H](C(=O)c2cc(F)ccc2F)C1 ZINC000071774397 570852553 /nfs/dbraw/zinc/85/25/53/570852553.db2.gz WVLCQGVUGUBKGL-OAHLLOKOSA-N 1 1 375.415 3.947 50 0 GHAAMO CCc1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)cn1 ZINC000071779997 570853062 /nfs/dbraw/zinc/85/30/62/570853062.db2.gz LEXIFKWDIKTXSQ-HXUWFJFHSA-N 1 1 384.499 3.551 50 0 GHAAMO CCCCc1nc(C[N@@H+]2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CCN3CC2)c[nH]1 ZINC000071779991 570853378 /nfs/dbraw/zinc/85/33/78/570853378.db2.gz ZKTYTQVOPSOJIO-QPTUXGOLSA-N 1 1 394.563 3.823 50 0 GHAAMO CCCCc1nc(C[N@H+]2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CCN3CC2)c[nH]1 ZINC000071779991 570853382 /nfs/dbraw/zinc/85/33/82/570853382.db2.gz ZKTYTQVOPSOJIO-QPTUXGOLSA-N 1 1 394.563 3.823 50 0 GHAAMO CC(=O)Nc1ccc(NC(=O)[C@H](C)Nc2ccc([NH+]3CCCC3)c(C)c2)cc1 ZINC000032853713 570854531 /nfs/dbraw/zinc/85/45/31/570854531.db2.gz FEDVAQMPKYECFP-INIZCTEOSA-N 1 1 380.492 3.993 50 0 GHAAMO CC(C)Cn1cncc1C[N@H+]1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072156435 570874166 /nfs/dbraw/zinc/87/41/66/570874166.db2.gz VSRYGQUWQMJFBM-YTFSRNRJSA-N 1 1 382.527 3.740 50 0 GHAAMO CC(C)Cn1cncc1CN1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072156435 570874170 /nfs/dbraw/zinc/87/41/70/570874170.db2.gz VSRYGQUWQMJFBM-YTFSRNRJSA-N 1 1 382.527 3.740 50 0 GHAAMO CN(Cc1ccco1)C(=O)C1([N@@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072159062 570874945 /nfs/dbraw/zinc/87/49/45/570874945.db2.gz CLZJMJBCLNEOOR-UHFFFAOYSA-N 1 1 388.511 3.950 50 0 GHAAMO CC(C)n1ncc2cc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)cnc21 ZINC000032900194 570893997 /nfs/dbraw/zinc/89/39/97/570893997.db2.gz VGSYCESAMDOINX-SFHVURJKSA-N 1 1 381.480 3.562 50 0 GHAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCC[C@@H]2CCCC[C@H]21 ZINC000105882803 570932959 /nfs/dbraw/zinc/93/29/59/570932959.db2.gz LWMTUWAUVHCGHF-DFQSSKMNSA-N 1 1 384.520 3.776 50 0 GHAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCC[C@@H]2CCCC[C@H]21 ZINC000105882803 570932962 /nfs/dbraw/zinc/93/29/62/570932962.db2.gz LWMTUWAUVHCGHF-DFQSSKMNSA-N 1 1 384.520 3.776 50 0 GHAAMO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000105888928 570932996 /nfs/dbraw/zinc/93/29/96/570932996.db2.gz SUUXLLBBSOHMBH-QZTJIDSGSA-N 1 1 381.524 3.655 50 0 GHAAMO C[C@H]1CCCC[N@H+]1CCCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000032929523 570942850 /nfs/dbraw/zinc/94/28/50/570942850.db2.gz XBLFRZKYURPIMZ-AWEZNQCLSA-N 1 1 394.459 3.518 50 0 GHAAMO CC(=O)NC1CCN(C[C@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC000585138579 570951144 /nfs/dbraw/zinc/95/11/44/570951144.db2.gz HCPZFRNYIFWLBH-QHCPKHFHSA-N 1 1 379.548 3.503 50 0 GHAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000106573470 570965630 /nfs/dbraw/zinc/96/56/30/570965630.db2.gz JMDIKERZCWUWIL-RZUBCFFCSA-N 1 1 392.547 3.648 50 0 GHAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)Nc1ccc(Cl)cc1 ZINC000004791638 570992540 /nfs/dbraw/zinc/99/25/40/570992540.db2.gz JZEOQBPGOJOUSX-UHFFFAOYSA-N 1 1 390.890 3.813 50 0 GHAAMO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007640850 571010162 /nfs/dbraw/zinc/01/01/62/571010162.db2.gz YCWKDROLFYGQFS-GFCCVEGCSA-N 1 1 396.365 3.773 50 0 GHAAMO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007640850 571010166 /nfs/dbraw/zinc/01/01/66/571010166.db2.gz YCWKDROLFYGQFS-GFCCVEGCSA-N 1 1 396.365 3.773 50 0 GHAAMO CCC[N@@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)n2nc(C3CC3)sc2n1 ZINC000046032477 571014286 /nfs/dbraw/zinc/01/42/86/571014286.db2.gz COYZTBJRPNLXIY-UHFFFAOYSA-N 1 1 398.532 3.839 50 0 GHAAMO CC[N@@H+](CCCOc1ccc(F)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000012780852 571034193 /nfs/dbraw/zinc/03/41/93/571034193.db2.gz NLNKOTSFLXTZAB-UHFFFAOYSA-N 1 1 387.455 3.514 50 0 GHAAMO C[C@@H]1C[N@@H+](CCOCCOc2ccc(Cl)cc2Br)C[C@H](C)O1 ZINC000016247794 571045898 /nfs/dbraw/zinc/04/58/98/571045898.db2.gz WKCXEDHMJDUCSB-BETUJISGSA-N 1 1 392.721 3.607 50 0 GHAAMO C[C@@H]1C[N@H+](CCOCCOc2ccc(Cl)cc2Br)C[C@H](C)O1 ZINC000016247794 571045905 /nfs/dbraw/zinc/04/59/05/571045905.db2.gz WKCXEDHMJDUCSB-BETUJISGSA-N 1 1 392.721 3.607 50 0 GHAAMO COc1ccccc1-c1nc(CN2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cs1 ZINC000066561696 836272280 /nfs/dbraw/zinc/27/22/80/836272280.db2.gz XMBZXUSOMJQZJO-INIZCTEOSA-N 1 1 387.549 3.504 50 0 GHAAMO O=C(CCC[N@H+]1CC[C@H](c2ccc3c(c2)OCO3)C1)c1ccc2c(c1)OCCO2 ZINC000022228574 838911958 /nfs/dbraw/zinc/91/19/58/838911958.db2.gz NRRROZYOVOREGM-SFHVURJKSA-N 1 1 395.455 3.639 50 0 GHAAMO CO[C@H]1C(=O)N(c2cccc(F)c2)C12CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC000257184882 839147343 /nfs/dbraw/zinc/14/73/43/839147343.db2.gz VNONOOBPFCVMKL-IBGZPJMESA-N 1 1 390.405 3.500 50 0 GHAAMO COc1ccccc1[C@@H](CNC(=O)c1nc2cccnc2s1)[NH+]1CCCCC1 ZINC000193893956 841172983 /nfs/dbraw/zinc/17/29/83/841172983.db2.gz HSNZARUGKAMDCU-QGZVFWFLSA-N 1 1 396.516 3.657 50 0 GHAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)C(F)(F)F ZINC000057270637 861935077 /nfs/dbraw/zinc/93/50/77/861935077.db2.gz NPADZCNGPPCUHF-UHFFFAOYSA-N 1 1 381.373 3.649 50 0 GHAAMO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@@H](C)c1ccccc1Cl)CCC2 ZINC000057315212 861959196 /nfs/dbraw/zinc/95/91/96/861959196.db2.gz UGTRLUUWCFZYFP-NSHDSACASA-N 1 1 392.908 3.966 50 0 GHAAMO CCc1ccc(C[N@H+](C)Cc2c(C(=O)N(C)C)nc3ccc(Cl)cn32)cc1 ZINC000023231260 849207555 /nfs/dbraw/zinc/20/75/55/849207555.db2.gz CZAZWBZCYBAFFY-UHFFFAOYSA-N 1 1 384.911 3.884 50 0 GHAAMO CCc1ccc(C[N@@H+](C)Cc2c(C(=O)N(C)C)nc3ccc(Cl)cn32)cc1 ZINC000023231260 849207565 /nfs/dbraw/zinc/20/75/65/849207565.db2.gz CZAZWBZCYBAFFY-UHFFFAOYSA-N 1 1 384.911 3.884 50 0 GHAAMO COc1c(C)cnc(C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1C ZINC000067226839 854877955 /nfs/dbraw/zinc/87/79/55/854877955.db2.gz HBGNTSJDOJXUOZ-UHFFFAOYSA-N 1 1 379.504 3.764 50 0 GHAAMO COc1c(C)cnc(C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1C ZINC000067226839 854877964 /nfs/dbraw/zinc/87/79/64/854877964.db2.gz HBGNTSJDOJXUOZ-UHFFFAOYSA-N 1 1 379.504 3.764 50 0 GHAAMO COc1c(C)c[nH+]c(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1C ZINC000067226839 854877973 /nfs/dbraw/zinc/87/79/73/854877973.db2.gz HBGNTSJDOJXUOZ-UHFFFAOYSA-N 1 1 379.504 3.764 50 0 GHAAMO COc1ccc(C2(C[N@@H+](C)C[C@H](O)COc3ccccc3)CCCC2)cc1OC ZINC000004064277 862748484 /nfs/dbraw/zinc/74/84/84/862748484.db2.gz SQYOCJDTNKQMSJ-FQEVSTJZSA-N 1 1 399.531 3.887 50 0 biogenic GHAAMO Cc1nc(-c2ccccn2)sc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000008879119 856396471 /nfs/dbraw/zinc/39/64/71/856396471.db2.gz ZHJQGEMAHXSVBT-MRXNPFEDSA-N 1 1 382.489 3.673 50 0 GHAAMO CN(Cc1nc2ccccc2s1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000040069014 856647084 /nfs/dbraw/zinc/64/70/84/856647084.db2.gz KVXSHUZPYXLTLA-UHFFFAOYSA-N 1 1 382.533 3.960 50 0 GHAAMO COc1ccc(NC(=O)c2ccc(C[N@@H+](C[C@H]3CCOC3)C3CC3)cc2)cc1 ZINC000040105896 856663512 /nfs/dbraw/zinc/66/35/12/856663512.db2.gz HCQXIXAJAHMMKS-GOSISDBHSA-N 1 1 380.488 3.948 50 0 GHAAMO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120459156 862850712 /nfs/dbraw/zinc/85/07/12/862850712.db2.gz QQJWRURLHDUFEJ-KRWDZBQOSA-N 1 1 385.552 3.615 50 0 GHAAMO C[C@H](C(=O)Nc1ccccc1N1CCCC1=O)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000069878265 857120099 /nfs/dbraw/zinc/12/00/99/857120099.db2.gz RQCCLMWBRSGSHR-MJGOQNOKSA-N 1 1 377.488 3.630 50 0 GHAAMO CCOc1c(C[N@@H+]2CC[C@H](OCc3c(C)noc3C)C2)c(C)nn1CC(C)C ZINC000370730725 862885767 /nfs/dbraw/zinc/88/57/67/862885767.db2.gz QBEUYCDMGDSYGY-SFHVURJKSA-N 1 1 390.528 3.642 50 0 GHAAMO CCOc1c(C[N@H+]2CC[C@H](OCc3c(C)noc3C)C2)c(C)nn1CC(C)C ZINC000370730725 862885785 /nfs/dbraw/zinc/88/57/85/862885785.db2.gz QBEUYCDMGDSYGY-SFHVURJKSA-N 1 1 390.528 3.642 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4cccnc4C)C3)C2)c1 ZINC000012057897 858712878 /nfs/dbraw/zinc/71/28/78/858712878.db2.gz RVQHSVMYSZMKPS-QHCPKHFHSA-N 1 1 379.504 3.527 50 0 GHAAMO COc1cccc2ccc(C[N@H+]3CCC[C@@H](CCC(=O)N4CCCC4)C3)nc21 ZINC000012074510 858796449 /nfs/dbraw/zinc/79/64/49/858796449.db2.gz UJVOKASPGHIARF-SFHVURJKSA-N 1 1 381.520 3.858 50 0 GHAAMO COC(=O)CCCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000012477308 859335905 /nfs/dbraw/zinc/33/59/05/859335905.db2.gz UJTORYSPRLMPAJ-QFIPXVFZSA-N 1 1 378.557 3.615 50 0 GHAAMO CC(=O)N1CCC([C@@H]2CC[N@@H+](Cc3cc(F)cc(Br)c3)C2)CC1 ZINC000169781509 859777578 /nfs/dbraw/zinc/77/75/78/859777578.db2.gz NRQSEFOLQBUOED-MRXNPFEDSA-N 1 1 383.305 3.669 50 0 GHAAMO c1cnn(-c2ccc(C[N@H+]3CCC[C@@H](Nc4ccc5c(c4)OCO5)C3)cc2)c1 ZINC000012304001 859830024 /nfs/dbraw/zinc/83/00/24/859830024.db2.gz IELQCNPQKSBIRD-LJQANCHMSA-N 1 1 376.460 3.678 50 0 GHAAMO COc1cccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccc(-n3ccnc3C)cc2)c1 ZINC000012317629 859895609 /nfs/dbraw/zinc/89/56/09/859895609.db2.gz RZWWBWWNRMJOSL-QFIPXVFZSA-N 1 1 390.487 3.792 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccc(-n3ccnc3C)cc2)c1 ZINC000012317629 859895618 /nfs/dbraw/zinc/89/56/18/859895618.db2.gz RZWWBWWNRMJOSL-QFIPXVFZSA-N 1 1 390.487 3.792 50 0 GHAAMO O=C(NCCc1ccccc1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000390826730 860501107 /nfs/dbraw/zinc/50/11/07/860501107.db2.gz BIGTZVFWQRWBCF-BJESRGMDSA-N 1 1 379.548 3.834 50 0 GHAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2cccc(Cl)c2)CC1 ZINC000022460187 861125666 /nfs/dbraw/zinc/12/56/66/861125666.db2.gz KFOGXLJGVWEUII-DNVCBOLYSA-N 1 1 391.968 3.899 50 0 GHAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)Nc2cccc(C)c2)CC1 ZINC000022460667 861127985 /nfs/dbraw/zinc/12/79/85/861127985.db2.gz OVDQDHUTZFOXFF-YLJYHZDGSA-N 1 1 386.565 3.945 50 0 GHAAMO CCc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)Cn3c(C)nc4ccccc43)C2)o1 ZINC000823527598 863121490 /nfs/dbraw/zinc/12/14/90/863121490.db2.gz MVCIJOFPBQFPTG-SFHVURJKSA-N 1 1 394.519 3.529 50 0 GHAAMO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1OCc1c(F)cccc1Cl ZINC000823832129 863220316 /nfs/dbraw/zinc/22/03/16/863220316.db2.gz LAYYSNMGDMPQLS-GOSISDBHSA-N 1 1 376.859 3.769 50 0 GHAAMO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1OCc1c(F)cccc1Cl ZINC000823832129 863220330 /nfs/dbraw/zinc/22/03/30/863220330.db2.gz LAYYSNMGDMPQLS-GOSISDBHSA-N 1 1 376.859 3.769 50 0 GHAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)C[C@@H](c3ccco3)c3ccccc3)CC2)C[C@H](C)O1 ZINC000825031238 864264711 /nfs/dbraw/zinc/26/47/11/864264711.db2.gz GFFKHQDBYLTBBU-XQBPLPMBSA-N 1 1 396.531 3.902 50 0 GHAAMO O=C(CCc1cccnc1)NC[C@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000827822397 865127747 /nfs/dbraw/zinc/12/77/47/865127747.db2.gz GADFVSNFYLCXKQ-LJQANCHMSA-N 1 1 377.488 3.789 50 0 GHAAMO COc1ccc(NC(=O)N2CC([N@H+](Cc3ccncc3)CC(C)C)C2)cc1F ZINC000575536795 866173136 /nfs/dbraw/zinc/17/31/36/866173136.db2.gz VMWKPCMRZRWAIJ-UHFFFAOYSA-N 1 1 386.471 3.604 50 0 GHAAMO Cc1noc(C)c1C(=O)N1CCC([C@H]2[C@@H](Oc3ccccc3)C[N@@H+]2C(C)C)CC1 ZINC000581813229 870021357 /nfs/dbraw/zinc/02/13/57/870021357.db2.gz MLEPIXJCVPKIHL-UNMCSNQZSA-N 1 1 397.519 3.684 50 0 GHAAMO CCCn1c(C)c[nH+]c1C[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2F)C1 ZINC000581817079 870049215 /nfs/dbraw/zinc/04/92/15/870049215.db2.gz YZWBKGHCOFNPGT-KRWDZBQOSA-N 1 1 393.528 3.525 50 0 GHAAMO C[N@H+](Cc1cccnc1)C[C@H]1CCCN(C(=O)Cc2ccc(Cl)s2)C1 ZINC000585080051 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378.476 3.664 50 0 GHAAMO CCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000100623731 208377879 /nfs/dbraw/zinc/37/78/79/208377879.db2.gz LIBWNZALSQABEI-KRWDZBQOSA-N 1 1 393.270 3.814 50 0 GHAAMO O[C@H](C[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1)c1ccccc1 ZINC000022809678 208854590 /nfs/dbraw/zinc/85/45/90/208854590.db2.gz XXFDCYCGSPJFEI-OAQYLSRUSA-N 1 1 379.529 3.661 50 0 GHAAMO CC(C)c1cc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)nn1-c1ccccc1 ZINC000230206426 209006085 /nfs/dbraw/zinc/00/60/85/209006085.db2.gz DSPRTHWEBLWIDE-RXVVDRJESA-N 1 1 380.536 3.990 50 0 biogenic GHAAMO CC[N@@H+](CC(=O)N[C@H](c1ccc(OC)cc1)C(C)C)C[C@H](O)c1ccc(C)cc1 ZINC000230150297 209006164 /nfs/dbraw/zinc/00/61/64/209006164.db2.gz PYIYUMSDBPBNDI-UPVQGACJSA-N 1 1 398.547 3.872 50 0 GHAAMO CC[N@H+](CC(=O)N[C@H](c1ccc(OC)cc1)C(C)C)C[C@H](O)c1ccc(C)cc1 ZINC000230150297 209006168 /nfs/dbraw/zinc/00/61/68/209006168.db2.gz PYIYUMSDBPBNDI-UPVQGACJSA-N 1 1 398.547 3.872 50 0 GHAAMO 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50 0 GHAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000048341255 570239508 /nfs/dbraw/zinc/23/95/08/570239508.db2.gz LPXFXIRPCKTMPM-QGZVFWFLSA-N 1 1 378.476 3.737 50 0 GHAAMO CC1CC[NH+](CC(=O)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)CC1 ZINC000006087125 570240259 /nfs/dbraw/zinc/24/02/59/570240259.db2.gz XTBPVBRMHBUSDD-NRFANRHFSA-N 1 1 376.928 3.869 50 0 GHAAMO COc1ccc(/C=C/CN2CC[N@@H+](Cc3ccccc3C)[C@H](CCO)C2)cc1 ZINC000105272042 570260504 /nfs/dbraw/zinc/26/05/04/570260504.db2.gz AEEKYNBDTPOBML-NKOINVLESA-N 1 1 380.532 3.586 50 0 GHAAMO O=C(N[C@H]1CCC[N@H+](Cc2ccccn2)C1)c1cc(C2CC2)nc2ccccc21 ZINC000012318554 570307438 /nfs/dbraw/zinc/30/74/38/570307438.db2.gz GDRLULFKLFJPEO-IBGZPJMESA-N 1 1 386.499 3.902 50 0 GHAAMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccn2)C1)c1cc(C2CC2)nc2ccccc21 ZINC000012318554 570307440 /nfs/dbraw/zinc/30/74/40/570307440.db2.gz GDRLULFKLFJPEO-IBGZPJMESA-N 1 1 386.499 3.902 50 0 GHAAMO C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccccc2)C1=O ZINC000012935313 570309717 /nfs/dbraw/zinc/30/97/17/570309717.db2.gz UCAWZUYTWHUKIA-WIYYLYMNSA-N 1 1 385.414 3.526 50 0 GHAAMO C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(C[N@H+]2CCC[C@@H]2c2ccccc2)C1=O ZINC000012935313 570309720 /nfs/dbraw/zinc/30/97/20/570309720.db2.gz UCAWZUYTWHUKIA-WIYYLYMNSA-N 1 1 385.414 3.526 50 0 GHAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)CC(C)C)[N@H+](Cc1ccccc1)CC2 ZINC000034857326 570341927 /nfs/dbraw/zinc/34/19/27/570341927.db2.gz WDSYHHRGTKODOZ-NRFANRHFSA-N 1 1 396.531 3.966 50 0 GHAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)CC(C)C)[N@@H+](Cc1ccccc1)CC2 ZINC000034857326 570341930 /nfs/dbraw/zinc/34/19/30/570341930.db2.gz WDSYHHRGTKODOZ-NRFANRHFSA-N 1 1 396.531 3.966 50 0 GHAAMO O=C(Nc1ccc(OC(F)(F)F)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000004324644 570368254 /nfs/dbraw/zinc/36/82/54/570368254.db2.gz YSNFTMQRMSNNQU-UHFFFAOYSA-N 1 1 393.409 3.977 50 0 GHAAMO CCC(C)(C)OC[C@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022918003 570379093 /nfs/dbraw/zinc/37/90/93/570379093.db2.gz LMNSJJFDJWHQBI-HSZRJFAPSA-N 1 1 396.575 3.960 50 0 GHAAMO Cc1csc2nc(C[N@@H+](C)Cc3ccc(OC(F)(F)F)cc3)cc(=O)n12 ZINC000012978428 570385670 /nfs/dbraw/zinc/38/56/70/570385670.db2.gz UPDVSFIXGAOUOY-UHFFFAOYSA-N 1 1 383.395 3.595 50 0 GHAAMO COc1ccc(Cl)cc1C(=O)NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000035592977 570399126 /nfs/dbraw/zinc/39/91/26/570399126.db2.gz HQANPXVYKQNSAH-FQEVSTJZSA-N 1 1 388.895 3.542 50 0 GHAAMO COc1ccc(Cl)cc1C(=O)NCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000035592977 570399132 /nfs/dbraw/zinc/39/91/32/570399132.db2.gz HQANPXVYKQNSAH-FQEVSTJZSA-N 1 1 388.895 3.542 50 0 GHAAMO COc1ccc(C[NH+]2CCN(c3ncnc4sc5c(c43)CCCC5)CC2)cc1 ZINC000004833585 570409708 /nfs/dbraw/zinc/40/97/08/570409708.db2.gz HSVMQXDNOQIDIR-UHFFFAOYSA-N 1 1 394.544 3.901 50 0 GHAAMO Cc1cc(C)c(S(=O)(=O)N2CCC(C[N@@H+]3CCC[C@H](C)C3)CC2)cc1C ZINC000032952035 570428433 /nfs/dbraw/zinc/42/84/33/570428433.db2.gz ICZBGLAWNDIPMJ-INIZCTEOSA-N 1 1 378.582 3.744 50 0 GHAAMO CCn1ccnc1C[N@@H+]1CCC[C@@H](CCC(=O)NCc2ccccc2Cl)C1 ZINC000011817724 570436178 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O=C(C[C@@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O)Nc1ccccc1Sc1ccccc1 ZINC000009669345 570560711 /nfs/dbraw/zinc/56/07/11/570560711.db2.gz RZMQOSLRWYACBH-SCTDSRPQSA-N 1 1 395.528 3.566 50 0 GHAAMO COc1cccc(C[C@@]2(CO)CCC[N@@H+](Cc3ccc(OC)c(C)c3OC)C2)c1 ZINC000011661280 570576937 /nfs/dbraw/zinc/57/69/37/570576937.db2.gz NMAPLBYIYYRWTA-DEOSSOPVSA-N 1 1 399.531 3.838 50 0 GHAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3cc[nH]n3)C2)cc1 ZINC000011936217 570594027 /nfs/dbraw/zinc/59/40/27/570594027.db2.gz WGUWRGAONMGPEQ-GOSISDBHSA-N 1 1 390.487 3.936 50 0 GHAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)cc1 ZINC000011936217 570594031 /nfs/dbraw/zinc/59/40/31/570594031.db2.gz WGUWRGAONMGPEQ-GOSISDBHSA-N 1 1 390.487 3.936 50 0 GHAAMO CC[C@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@H]2c2ccccc2)Cc2cc(OC)ccc2O1 ZINC000011974632 570596667 /nfs/dbraw/zinc/59/66/67/570596667.db2.gz FRIKDGYWVOKTJL-ILWGZMRPSA-N 1 1 394.515 3.588 50 0 GHAAMO CC[C@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@H]2c2ccccc2)Cc2cc(OC)ccc2O1 ZINC000011974632 570596668 /nfs/dbraw/zinc/59/66/68/570596668.db2.gz FRIKDGYWVOKTJL-ILWGZMRPSA-N 1 1 394.515 3.588 50 0 GHAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)CC1 ZINC000012049815 570601081 /nfs/dbraw/zinc/60/10/81/570601081.db2.gz QWJSOXKQHWJWRI-INIZCTEOSA-N 1 1 378.900 3.856 50 0 GHAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(OCCO)c3)C2)cc1 ZINC000012053694 570601477 /nfs/dbraw/zinc/60/14/77/570601477.db2.gz ZKQZYWGQMZATSG-LJQANCHMSA-N 1 1 385.529 3.875 50 0 GHAAMO COc1ccccc1-n1cc(C(=O)N[C@@H]2CCC[N@H+](C3CCCCCC3)C2)cn1 ZINC000012195501 570623306 /nfs/dbraw/zinc/62/33/06/570623306.db2.gz KASWBGODRAXIHS-LJQANCHMSA-N 1 1 396.535 3.798 50 0 GHAAMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000012197183 570623412 /nfs/dbraw/zinc/62/34/12/570623412.db2.gz HDNYGPXOYCRPTR-NRFANRHFSA-N 1 1 389.927 3.770 50 0 GHAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CCNC(C)=O)c(C)o2)cc1C ZINC000012210712 570627171 /nfs/dbraw/zinc/62/71/71/570627171.db2.gz 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C[N@@H+](CCc1ccccn1)Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)cc1 ZINC000048501675 570659329 /nfs/dbraw/zinc/65/93/29/570659329.db2.gz UVGBJGKLZSGZJI-UHFFFAOYSA-N 1 1 397.482 3.568 50 0 GHAAMO COCc1ccc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccccc3OC)C2)o1 ZINC000012459485 570670291 /nfs/dbraw/zinc/67/02/91/570670291.db2.gz SWFLMBVETJBQDW-LJQANCHMSA-N 1 1 386.536 3.821 50 0 GHAAMO COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)c1OC ZINC000012474331 570673297 /nfs/dbraw/zinc/67/32/97/570673297.db2.gz MQQNJRPWWQNOGN-MRXNPFEDSA-N 1 1 383.444 3.527 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)c1OC ZINC000012474331 570673298 /nfs/dbraw/zinc/67/32/98/570673298.db2.gz MQQNJRPWWQNOGN-MRXNPFEDSA-N 1 1 383.444 3.527 50 0 GHAAMO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000012476135 570673876 /nfs/dbraw/zinc/67/38/76/570673876.db2.gz UDFVTSZRQLUUOC-INIZCTEOSA-N 1 1 385.435 3.700 50 0 GHAAMO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000012476135 570673882 /nfs/dbraw/zinc/67/38/82/570673882.db2.gz UDFVTSZRQLUUOC-INIZCTEOSA-N 1 1 385.435 3.700 50 0 GHAAMO CCOC(=O)[C@]1(Cc2ccccc2C)CCC[N@@H+](Cc2cn(CC)nc2C)C1 ZINC000012574789 570682532 /nfs/dbraw/zinc/68/25/32/570682532.db2.gz OERMRFDZKBRTAQ-QHCPKHFHSA-N 1 1 383.536 3.908 50 0 GHAAMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2c(C)nn(CC)c2C)C1 ZINC000012586960 570685502 /nfs/dbraw/zinc/68/55/02/570685502.db2.gz JVEDKTOIDZUNSG-QHCPKHFHSA-N 1 1 383.536 3.908 50 0 GHAAMO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000012589870 570686467 /nfs/dbraw/zinc/68/64/67/570686467.db2.gz GFVQNLXUMISGQA-SFHVURJKSA-N 1 1 381.451 3.644 50 0 GHAAMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2C)cc1NC(=O)c1ccccc1 ZINC000055211774 570687299 /nfs/dbraw/zinc/68/72/99/570687299.db2.gz VCZVRKAOJOPOLJ-MRXNPFEDSA-N 1 1 381.476 3.760 50 0 GHAAMO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c(C)c1 ZINC000017305838 570703447 /nfs/dbraw/zinc/70/34/47/570703447.db2.gz LIBIUPMIAJOPEO-GOSISDBHSA-N 1 1 377.492 3.824 50 0 GHAAMO Cc1cc(C)c(NC(=O)C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c(C)c1 ZINC000017305838 570703450 /nfs/dbraw/zinc/70/34/50/570703450.db2.gz LIBIUPMIAJOPEO-GOSISDBHSA-N 1 1 377.492 3.824 50 0 GHAAMO COc1ccccc1-n1cc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cn1 ZINC000012715609 570704345 /nfs/dbraw/zinc/70/43/45/570704345.db2.gz RXBHGTGBDUJGNC-DEOSSOPVSA-N 1 1 391.515 3.698 50 0 GHAAMO CCc1ccc(C(=O)N2CCN(c3nc(C[NH+]4CCCCC4)cs3)CC2)cc1 ZINC000065200468 570727550 /nfs/dbraw/zinc/72/75/50/570727550.db2.gz QAHIIPBEFMUQAE-UHFFFAOYSA-N 1 1 398.576 3.654 50 0 GHAAMO O=C(C[N@H+]1CCC[C@H]1C1CCCCC1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000052131693 570739696 /nfs/dbraw/zinc/73/96/96/570739696.db2.gz ZGDYZSJJNRTHSM-QFIPXVFZSA-N 1 1 397.563 3.908 50 0 GHAAMO c1csc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)c1 ZINC000013213818 570750748 /nfs/dbraw/zinc/75/07/48/570750748.db2.gz POZMCLWWAHFHMU-VQTJNVASSA-N 1 1 385.452 3.947 50 0 GHAAMO CC(C)n1cc(-c2cc(C(=O)N3CCC[N@@H+](C)C[C@@H]3C)c3ccccc3n2)cn1 ZINC000063856750 570751629 /nfs/dbraw/zinc/75/16/29/570751629.db2.gz YMAVUZXQIDMZFV-KRWDZBQOSA-N 1 1 391.519 3.845 50 0 GHAAMO CCc1noc(-c2cccnc2N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000065257901 570758919 /nfs/dbraw/zinc/75/89/19/570758919.db2.gz FPSIQUVIMHMCGZ-UHFFFAOYSA-N 1 1 381.455 3.545 50 0 GHAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCCN(c3ccccc3)CC2)c(F)c1 ZINC000013593719 570760834 /nfs/dbraw/zinc/76/08/34/570760834.db2.gz MKIHHZUAGSQEOS-UHFFFAOYSA-N 1 1 380.467 3.937 50 0 GHAAMO Cc1oc(-c2cccc(Cl)c2)nc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000067871326 570795211 /nfs/dbraw/zinc/79/52/11/570795211.db2.gz OJINTFKKUWDFLP-GOSISDBHSA-N 1 1 375.900 3.600 50 0 GHAAMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)C1 ZINC000067908326 570796885 /nfs/dbraw/zinc/79/68/85/570796885.db2.gz PEIHBWBTODPPTL-CQSZACIVSA-N 1 1 381.398 3.627 50 0 GHAAMO COc1ccc(NC(=O)N2CC[NH+](Cc3cn(C)c4ccccc34)CC2)cc1 ZINC000065330055 570800824 /nfs/dbraw/zinc/80/08/24/570800824.db2.gz DATXBLCQECAWNO-UHFFFAOYSA-N 1 1 378.476 3.537 50 0 GHAAMO CCc1ccc(C(=O)Nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2Cl)cc1 ZINC000071375757 570832443 /nfs/dbraw/zinc/83/24/43/570832443.db2.gz RSGSFTDNBYWYGT-UHFFFAOYSA-N 1 1 385.895 3.542 50 0 GHAAMO C[NH+](C)[C@H](CNc1ccccc1S(=O)(=O)C(F)(F)F)c1cccs1 ZINC000032829033 570842367 /nfs/dbraw/zinc/84/23/67/570842367.db2.gz JULKSOYHLDFNKP-GFCCVEGCSA-N 1 1 378.441 3.756 50 0 GHAAMO CCc1cc(N2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)nc(C)[nH+]1 ZINC000071777292 570853040 /nfs/dbraw/zinc/85/30/40/570853040.db2.gz TYTBIYQLJXKCOS-FQEVSTJZSA-N 1 1 384.499 3.750 50 0 GHAAMO CCn1nc(C)c(NC(=O)C[NH+]2CCC(c3nc4c(cccc4C)[nH]3)CC2)c1C ZINC000071776539 570853106 /nfs/dbraw/zinc/85/31/06/570853106.db2.gz OFAJIAGINXRWDS-UHFFFAOYSA-N 1 1 394.523 3.523 50 0 GHAAMO C[C@@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015044212 570873641 /nfs/dbraw/zinc/87/36/41/570873641.db2.gz BCOZCHIFQIFKFD-HNNXBMFYSA-N 1 1 391.471 3.795 50 0 GHAAMO COc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(O)c(C)c2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072161380 570875306 /nfs/dbraw/zinc/87/53/06/570875306.db2.gz XMNQHOXYOILGOL-TUACAJSNSA-N 1 1 378.516 3.771 50 0 GHAAMO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)N[C@H]1CCCc2ccccc21 ZINC000104100162 570895172 /nfs/dbraw/zinc/89/51/72/570895172.db2.gz LIEJHWVAFAYFQV-UGKGYDQZSA-N 1 1 391.515 3.531 50 0 GHAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CC1(n2cccc2)CCSCC1 ZINC000263586017 570918003 /nfs/dbraw/zinc/91/80/03/570918003.db2.gz OYOGERYJCBQSJX-VQTJNVASSA-N 1 1 389.609 3.823 50 0 biogenic GHAAMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(C)Cc1ccccc1OC(F)(F)F ZINC000106138163 570948909 /nfs/dbraw/zinc/94/89/09/570948909.db2.gz LTMZFMRMGZBBPA-GJZGRUSLSA-N 1 1 387.446 3.847 50 0 GHAAMO COc1cc(Br)c(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1OC ZINC000108173835 570984921 /nfs/dbraw/zinc/98/49/21/570984921.db2.gz QTVSEPITZHHBAR-UKRRQHHQSA-N 1 1 386.330 3.695 50 0 GHAAMO COc1cc(Br)c(C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1OC ZINC000108173835 570984927 /nfs/dbraw/zinc/98/49/27/570984927.db2.gz QTVSEPITZHHBAR-UKRRQHHQSA-N 1 1 386.330 3.695 50 0 GHAAMO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000045988447 571009930 /nfs/dbraw/zinc/00/99/30/571009930.db2.gz HJPNCXQFOHTBTH-SFHVURJKSA-N 1 1 386.540 3.556 50 0 GHAAMO COc1cc2c(cc1CN[C@H]1CCC[N@@H+](CCCc3ccccc3)C1)OCO2 ZINC000023373376 836820026 /nfs/dbraw/zinc/82/00/26/836820026.db2.gz SQCAXTJEKYYJLG-FQEVSTJZSA-N 1 1 382.504 3.611 50 0 GHAAMO COc1cc2c(cc1C[NH2+][C@H]1CCCN(CCCc3ccccc3)C1)OCO2 ZINC000023373376 836820028 /nfs/dbraw/zinc/82/00/28/836820028.db2.gz SQCAXTJEKYYJLG-FQEVSTJZSA-N 1 1 382.504 3.611 50 0 GHAAMO CC(C)Oc1ccc(C[N@@H+](C)[C@@H]2CCc3nnc(C4CCOCC4)n3CC2)cc1 ZINC000257173937 838675213 /nfs/dbraw/zinc/67/52/13/838675213.db2.gz ALYIAWQDJWPXDN-HXUWFJFHSA-N 1 1 398.551 3.796 50 0 GHAAMO O[C@@]1(c2ccccn2)CCOC2(CC[NH+](Cc3c(F)cccc3Cl)CC2)C1 ZINC000257174046 838683979 /nfs/dbraw/zinc/68/39/79/838683979.db2.gz BRSNHBLROYWWCR-NRFANRHFSA-N 1 1 390.886 3.907 50 0 GHAAMO COCC[N@H+]1CC2(CCN(C(=O)c3ccccc3Cl)CC2)[C@H]1c1ccncc1 ZINC000257175689 838695526 /nfs/dbraw/zinc/69/55/26/838695526.db2.gz QPMXYGYIKOEMKD-HXUWFJFHSA-N 1 1 399.922 3.661 50 0 GHAAMO CCCN(CC1CC1)C(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](C[N@H+]1C)[C@@H]23 ZINC000257194516 838997425 /nfs/dbraw/zinc/99/74/25/838997425.db2.gz UFKPZYLYAANSNF-GNXKAVGDSA-N 1 1 375.601 3.610 50 0 GHAAMO COc1cccc(-c2n[nH]c3c2C[N@H+]([C@@H]2CCN(c4ccc(F)cc4)C2)CC3)c1 ZINC000020537389 839952469 /nfs/dbraw/zinc/95/24/69/839952469.db2.gz IXFSWSUWMMBRQP-LJQANCHMSA-N 1 1 392.478 3.861 50 0 GHAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3)[C@@H](c3nc(C)no3)C2)s1 ZINC000675022511 840922771 /nfs/dbraw/zinc/92/27/71/840922771.db2.gz OPYFGUPORYLXDI-LJQANCHMSA-N 1 1 396.516 3.837 50 0 GHAAMO CC[C@@H]1CN(C(=O)Nc2ccccc2N2CCCCCC2)CC[N@H+]1CCOC ZINC000117440217 841249752 /nfs/dbraw/zinc/24/97/52/841249752.db2.gz CJFQMWGZEWAIEL-LJQANCHMSA-N 1 1 388.556 3.642 50 0 GHAAMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)C1 ZINC000161305928 847499869 /nfs/dbraw/zinc/49/98/69/847499869.db2.gz SBBQIQPIHVXHJF-GFCCVEGCSA-N 1 1 380.275 3.862 50 0 GHAAMO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@@H](C)c1ccc(F)cc1F)CCC2 ZINC000057315199 861959088 /nfs/dbraw/zinc/95/90/88/861959088.db2.gz AOVQUGFFPXRROJ-JTQLQIEISA-N 1 1 394.443 3.591 50 0 GHAAMO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1Cl ZINC000057460507 862105968 /nfs/dbraw/zinc/10/59/68/862105968.db2.gz MFPCXKGNEOPWDG-LBPRGKRZSA-N 1 1 390.274 3.863 50 0 GHAAMO CCCC[N@@H+](C)CCCN1C(=O)c2ccccc2[C@@H]1C(=O)NC1CCCCC1 ZINC000003048746 862144484 /nfs/dbraw/zinc/14/44/84/862144484.db2.gz LDUGOIZANFMLGZ-OAQYLSRUSA-N 1 1 385.552 3.754 50 0 GHAAMO CC[C@H](CNC(=O)c1ccc(Br)o1)[N@H+]1CCc2ccccc2C1 ZINC000029909201 862147669 /nfs/dbraw/zinc/14/76/69/862147669.db2.gz IUEJABBGKJBHPG-OAHLLOKOSA-N 1 1 377.282 3.609 50 0 GHAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3cc(Cl)cc(Cl)c3)c2C(N)=O)C1 ZINC000004087081 862769707 /nfs/dbraw/zinc/76/97/07/862769707.db2.gz LVYSWIRFIHZWAM-UHFFFAOYSA-N 1 1 398.315 3.784 50 0 GHAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3cc(Cl)cc(Cl)c3)c2C(N)=O)C1 ZINC000004087081 862769717 /nfs/dbraw/zinc/76/97/17/862769717.db2.gz LVYSWIRFIHZWAM-UHFFFAOYSA-N 1 1 398.315 3.784 50 0 GHAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000004087019 862770453 /nfs/dbraw/zinc/77/04/53/862770453.db2.gz YZCKHFXISZCDJB-UHFFFAOYSA-N 1 1 377.897 3.519 50 0 GHAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000004087019 862770467 /nfs/dbraw/zinc/77/04/67/862770467.db2.gz YZCKHFXISZCDJB-UHFFFAOYSA-N 1 1 377.897 3.519 50 0 GHAAMO Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCC(C[N@H+](C)C(C)C)CC3)c12 ZINC000039563874 856465834 /nfs/dbraw/zinc/46/58/34/856465834.db2.gz FPWOYICZOVPPHR-UHFFFAOYSA-N 1 1 385.556 3.593 50 0 GHAAMO Cc1onc(-c2ccccc2)c1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000040017420 856629376 /nfs/dbraw/zinc/62/93/76/856629376.db2.gz WXSHZTHEVRGGFF-UHFFFAOYSA-N 1 1 375.472 3.998 50 0 GHAAMO CCc1cc2oc(=O)cc(C[N@H+]3CCC[C@H](C4OCCO4)C3)c2cc1Cl ZINC000069298865 856750319 /nfs/dbraw/zinc/75/03/19/856750319.db2.gz WCAMZMJJTJNYAJ-AWEZNQCLSA-N 1 1 377.868 3.594 50 0 GHAAMO O=C(c1ccccc1-n1cccn1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000520815016 857253937 /nfs/dbraw/zinc/25/39/37/857253937.db2.gz SJOZSBHXVWZSES-UHFFFAOYSA-N 1 1 386.499 3.535 50 0 GHAAMO COC(=O)c1sc2nc(C)nc(N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2c1C ZINC000007974151 862940502 /nfs/dbraw/zinc/94/05/02/862940502.db2.gz WFUCBTPVSKLHSB-MRXNPFEDSA-N 1 1 396.516 3.781 50 0 GHAAMO COc1cc(C)c(C[N@H+]2CCOc3ccc(CN4CCOCC4)cc3C2)cc1C ZINC000012097254 858914761 /nfs/dbraw/zinc/91/47/61/858914761.db2.gz PVYMGAFVLRUDGE-UHFFFAOYSA-N 1 1 396.531 3.539 50 0 GHAAMO Cc1n[nH]cc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000012194654 859278028 /nfs/dbraw/zinc/27/80/28/859278028.db2.gz HTNDJHQKJBPUHY-HSZRJFAPSA-N 1 1 380.536 3.970 50 0 GHAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CCc3ccncc3)C2)cc1 ZINC000012437735 859309156 /nfs/dbraw/zinc/30/91/56/859309156.db2.gz WVPOTRJMIVGBCQ-QHCPKHFHSA-N 1 1 379.548 3.994 50 0 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BQOPSGFXNRIFGZ-SFHVURJKSA-N 1 1 387.543 3.874 50 0 GHAAMO Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000015727616 207056619 /nfs/dbraw/zinc/05/66/19/207056619.db2.gz HRURWCUZDYFVPF-IYBDPMFKSA-N 1 1 399.539 3.514 50 0 GHAAMO COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3nc(Cc4ccccc4)no3)C2)c1 ZINC000019792745 207160549 /nfs/dbraw/zinc/16/05/49/207160549.db2.gz RYKKCHSJIWLSHK-QGZVFWFLSA-N 1 1 379.460 3.667 50 0 GHAAMO COc1ccc(OC)c([C@@H]2CC[N@@H+](Cc3nc(Cc4ccccc4)no3)C2)c1 ZINC000019792745 207160554 /nfs/dbraw/zinc/16/05/54/207160554.db2.gz RYKKCHSJIWLSHK-QGZVFWFLSA-N 1 1 379.460 3.667 50 0 GHAAMO CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1NCCC[NH+]1CCOCC1 ZINC000019791958 207161437 /nfs/dbraw/zinc/16/14/37/207161437.db2.gz ORWZUICISUIYAX-UHFFFAOYSA-N 1 1 391.899 3.508 50 0 GHAAMO C[N@@H+](C1CCN(Cc2ccccn2)CC1)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000019835953 207165049 /nfs/dbraw/zinc/16/50/49/207165049.db2.gz WDUQFUXZXIYPSV-VWLOTQADSA-N 1 1 392.591 3.685 50 0 GHAAMO CCC[N@@H+]1CCc2c(sc3ncn4nc(COc5ccccc5)nc4c23)C1 ZINC000020392277 207190536 /nfs/dbraw/zinc/19/05/36/207190536.db2.gz APQUPEOTRLTETM-UHFFFAOYSA-N 1 1 379.489 3.686 50 0 GHAAMO CCC[N@H+]1CCc2c(sc3ncn4nc(COc5ccccc5)nc4c23)C1 ZINC000020392277 207190538 /nfs/dbraw/zinc/19/05/38/207190538.db2.gz APQUPEOTRLTETM-UHFFFAOYSA-N 1 1 379.489 3.686 50 0 GHAAMO Cc1nn2c(nc(C)cc2NCCC[NH+]2CCOCC2)c1-c1ccc(Cl)cc1 ZINC000020479639 207196121 /nfs/dbraw/zinc/19/61/21/207196121.db2.gz MXCQDGHREQYGOL-UHFFFAOYSA-N 1 1 399.926 3.801 50 0 GHAAMO Cc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc4c(c3)CCO4)C2)o1 ZINC000020541754 207202641 /nfs/dbraw/zinc/20/26/41/207202641.db2.gz UPYICDJJQMSYPG-GOSISDBHSA-N 1 1 382.504 3.832 50 0 GHAAMO COc1cccc(C[N@@H+]2CCc3nc(Nc4ccccc4F)ncc3C2)c1OC ZINC000021038806 207224776 /nfs/dbraw/zinc/22/47/76/207224776.db2.gz LVZJKEUXPKTGHL-UHFFFAOYSA-N 1 1 394.450 3.935 50 0 GHAAMO COc1cccc(C[N@H+]2CCc3nc(Nc4ccccc4F)ncc3C2)c1OC ZINC000021038806 207224779 /nfs/dbraw/zinc/22/47/79/207224779.db2.gz 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0 GHAAMO CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000072174624 570878129 /nfs/dbraw/zinc/87/81/29/570878129.db2.gz UIJFUOPSDBSQPI-IBGZPJMESA-N 1 1 380.467 3.829 50 0 GHAAMO CN(C)c1ccc(NC(=O)C[N@H+](C)Cc2ccccc2N2CCCCC2)cc1 ZINC000012587074 570882163 /nfs/dbraw/zinc/88/21/63/570882163.db2.gz HRHBXQPIEZYAIY-UHFFFAOYSA-N 1 1 380.536 3.813 50 0 GHAAMO CN(C)c1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2N2CCCCC2)cc1 ZINC000012587074 570882167 /nfs/dbraw/zinc/88/21/67/570882167.db2.gz HRHBXQPIEZYAIY-UHFFFAOYSA-N 1 1 380.536 3.813 50 0 GHAAMO C[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983193 570911715 /nfs/dbraw/zinc/91/17/15/570911715.db2.gz CTNLFIFIQBFLDM-AUUYWEPGSA-N 1 1 376.859 3.855 50 0 GHAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNC(=O)c3ccccc3Cl)cc2)C1 ZINC000047283478 570951135 /nfs/dbraw/zinc/95/11/35/570951135.db2.gz ZLLJSVJJMBZHLC-MRXNPFEDSA-N 1 1 399.922 3.940 50 0 GHAAMO O=C(N1CCO[C@@H]2CCCC[C@@H]21)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000252512519 570982501 /nfs/dbraw/zinc/98/25/01/570982501.db2.gz RUMQXHSATWOVTG-NSHGMRRFSA-N 1 1 396.453 3.611 50 0 GHAAMO Cc1cccc(Oc2ccc(NC(=O)C[N@@H+]3CCC[C@H](c4nnc[nH]4)C3)cc2)c1 ZINC000252535855 570990616 /nfs/dbraw/zinc/99/06/16/570990616.db2.gz HASOMTALGFRHLJ-KRWDZBQOSA-N 1 1 391.475 3.724 50 0 GHAAMO Cc1cccc(Oc2ccc(NC(=O)C[N@H+]3CCC[C@H](c4nnc[nH]4)C3)cc2)c1 ZINC000252535855 570990618 /nfs/dbraw/zinc/99/06/18/570990618.db2.gz HASOMTALGFRHLJ-KRWDZBQOSA-N 1 1 391.475 3.724 50 0 GHAAMO COc1ccc(NC(=O)C[N@H+](C)CCC(=O)Nc2cccc3ccccc32)cc1 ZINC000012770894 571025072 /nfs/dbraw/zinc/02/50/72/571025072.db2.gz CKDUOQUZITZCLO-UHFFFAOYSA-N 1 1 391.471 3.748 50 0 GHAAMO COc1ccc(NC(=O)C[N@@H+](C)CCC(=O)Nc2cccc3ccccc32)cc1 ZINC000012770894 571025077 /nfs/dbraw/zinc/02/50/77/571025077.db2.gz CKDUOQUZITZCLO-UHFFFAOYSA-N 1 1 391.471 3.748 50 0 GHAAMO CCC[C@]1(COC)CCC[N@H+]1Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000194944136 836774108 /nfs/dbraw/zinc/77/41/08/836774108.db2.gz DWRKJBXTRGUIEJ-HXUWFJFHSA-N 1 1 375.469 3.535 50 0 GHAAMO O=C(Cc1ccccc1F)Nc1ccc2c(c1)C[N@@H+](Cc1ccccn1)CC2 ZINC000020205660 839904714 /nfs/dbraw/zinc/90/47/14/839904714.db2.gz VGCUDIKTKPDSES-UHFFFAOYSA-N 1 1 375.447 3.960 50 0 GHAAMO O=C(Cc1ccccc1F)Nc1ccc2c(c1)C[N@H+](Cc1ccccn1)CC2 ZINC000020205660 839904720 /nfs/dbraw/zinc/90/47/20/839904720.db2.gz VGCUDIKTKPDSES-UHFFFAOYSA-N 1 1 375.447 3.960 50 0 GHAAMO C[N@@H+](Cc1ccccc1CNC(=O)N1CCC(O)(C2CC2)CC1)C1CCCCC1 ZINC000888101776 842531918 /nfs/dbraw/zinc/53/19/18/842531918.db2.gz OBOCHVIKZGANDG-UHFFFAOYSA-N 1 1 399.579 3.898 50 0 GHAAMO CCC[N@@H+]1C/C(=C/c2ccccc2)[C@@H]2NC(=S)N[C@H](c3ccccc3)[C@@H]2C1 ZINC000230213050 862191689 /nfs/dbraw/zinc/19/16/89/862191689.db2.gz ANAHAZXXHDLHGM-PIESDJFHSA-N 1 1 377.557 3.999 50 0 GHAAMO CCOc1c(Cl)cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000030029500 862204423 /nfs/dbraw/zinc/20/44/23/862204423.db2.gz BGWTWWSRKCIAMY-GOSISDBHSA-N 1 1 388.895 3.876 50 0 GHAAMO CCOc1c(Cl)cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000030029500 862204442 /nfs/dbraw/zinc/20/44/42/862204442.db2.gz BGWTWWSRKCIAMY-GOSISDBHSA-N 1 1 388.895 3.876 50 0 GHAAMO COc1ccc(CC(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1Br ZINC000004061433 862746881 /nfs/dbraw/zinc/74/68/81/862746881.db2.gz RAHXPBOALFIWID-DOTOQJQBSA-N 1 1 396.325 3.808 50 0 biogenic GHAAMO Cc1nc2ccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)cc2nc1C ZINC000040012781 856628023 /nfs/dbraw/zinc/62/80/23/856628023.db2.gz JZSVJZZYOSZTOJ-FQEVSTJZSA-N 1 1 378.476 3.797 50 0 GHAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccsc1 ZINC000008896822 856640256 /nfs/dbraw/zinc/64/02/56/856640256.db2.gz LVWBDYOSUPEQHF-FQEVSTJZSA-N 1 1 386.542 3.996 50 0 GHAAMO CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC000040089826 856654902 /nfs/dbraw/zinc/65/49/02/856654902.db2.gz VNIODAKUFQDNNN-QHCPKHFHSA-N 1 1 379.548 3.634 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000008938316 856663257 /nfs/dbraw/zinc/66/32/57/856663257.db2.gz WXATZSMUULWRAJ-AWEZNQCLSA-N 1 1 395.906 3.531 50 0 GHAAMO Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000040108053 856665506 /nfs/dbraw/zinc/66/55/06/856665506.db2.gz LRUVOCDKTKKQFV-DZGCQCFKSA-N 1 1 389.521 3.752 50 0 GHAAMO CSc1nccn1-c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000040135711 856677417 /nfs/dbraw/zinc/67/74/17/856677417.db2.gz ZPYILUHOROLARM-LJQANCHMSA-N 1 1 392.528 3.599 50 0 GHAAMO CC[C@@H](C)NC(=O)CC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000040416120 856799862 /nfs/dbraw/zinc/79/98/62/856799862.db2.gz HJKNCPSXCUHDIE-HXUWFJFHSA-N 1 1 379.548 3.698 50 0 GHAAMO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)CSc4ccncc4)C3)C2)c1 ZINC000011818744 857430316 /nfs/dbraw/zinc/43/03/16/857430316.db2.gz ZDLSXUJYTPSXEU-QHCPKHFHSA-N 1 1 395.572 3.997 50 0 GHAAMO COc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(SC)cc3)C2)cc1 ZINC000011842233 857589230 /nfs/dbraw/zinc/58/92/30/857589230.db2.gz IRPVNKRLXCFOEJ-FQEVSTJZSA-N 1 1 398.572 3.988 50 0 GHAAMO CCOC(=O)[C@@]1(Cc2ccccc2F)CCC[N@@H+](Cc2cnn(C(C)C)c2)C1 ZINC000012387558 859263788 /nfs/dbraw/zinc/26/37/88/859263788.db2.gz WKQNAMWQLZFFSL-JOCHJYFZSA-N 1 1 387.499 3.991 50 0 GHAAMO O=C(NC[C@H]1CCC[N@H+](Cc2ccon2)C1)c1ccc(-c2ccccc2)cc1 ZINC000012580212 859435396 /nfs/dbraw/zinc/43/53/96/859435396.db2.gz IKJQPIOLGVECSU-GOSISDBHSA-N 1 1 375.472 3.984 50 0 GHAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccon2)C1)c1ccc(-c2ccccc2)cc1 ZINC000012580212 859435401 /nfs/dbraw/zinc/43/54/01/859435401.db2.gz IKJQPIOLGVECSU-GOSISDBHSA-N 1 1 375.472 3.984 50 0 GHAAMO CC(C)=CC[N@H+]1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000012596509 859448962 /nfs/dbraw/zinc/44/89/62/859448962.db2.gz XYLOLJQGSTWFTC-HSZRJFAPSA-N 1 1 383.580 3.789 50 0 GHAAMO CN(C)c1ncc(C[N@H+]2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)s1 ZINC000012701915 859528042 /nfs/dbraw/zinc/52/80/42/859528042.db2.gz AVWQOUDJUMTIIT-IBGZPJMESA-N 1 1 379.957 3.680 50 0 GHAAMO Cc1nc([C@H]2CCC[N@@H+](C)C2)cc(N(C)Cc2cc(-c3ccccc3)on2)n1 ZINC000063856353 859663099 /nfs/dbraw/zinc/66/30/99/859663099.db2.gz WXXGYHZBOHUKFV-SFHVURJKSA-N 1 1 377.492 3.886 50 0 GHAAMO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cccn3-c3cccnc3)C2)c1 ZINC000012303619 859830324 /nfs/dbraw/zinc/83/03/24/859830324.db2.gz NYMFQKAPKKMSEB-LJQANCHMSA-N 1 1 375.472 3.976 50 0 GHAAMO CC(C)Sc1ccc(CC(=O)N2CC([N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000390829213 860504957 /nfs/dbraw/zinc/50/49/57/860504957.db2.gz XKIZQIKPSGEEIL-UHFFFAOYSA-N 1 1 380.557 3.999 50 0 GHAAMO CC(C)Sc1ccc(CC(=O)N2CC([N@H+]3CCc4ccccc4C3)C2)cc1 ZINC000390829213 860504964 /nfs/dbraw/zinc/50/49/64/860504964.db2.gz XKIZQIKPSGEEIL-UHFFFAOYSA-N 1 1 380.557 3.999 50 0 GHAAMO COc1ccc(C2(C(=O)N3CC[C@@H](Cc4[nH+]cc(C)n4CC4CC4)C3)CC2)cc1 ZINC000575545285 866175043 /nfs/dbraw/zinc/17/50/43/866175043.db2.gz KAIPWQOLXGYTBS-IBGZPJMESA-N 1 1 393.531 3.733 50 0 GHAAMO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000190439579 882190151 /nfs/dbraw/zinc/19/01/51/882190151.db2.gz BERUXTBBMWOVGI-MRXNPFEDSA-N 1 1 393.409 3.979 50 0 GHAAMO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000190439579 882190158 /nfs/dbraw/zinc/19/01/58/882190158.db2.gz BERUXTBBMWOVGI-MRXNPFEDSA-N 1 1 393.409 3.979 50 0 GHAAMO C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181347003 870893502 /nfs/dbraw/zinc/89/35/02/870893502.db2.gz RBOHKBOKVAJNHW-CYBMUJFWSA-N 1 1 380.485 3.652 50 0 GHAAMO COc1ccccc1N1CC[C@H]([NH+]2CCC(Nc3cccc(C)c3)CC2)C1=O ZINC000151658804 875745578 /nfs/dbraw/zinc/74/55/78/875745578.db2.gz BHYLOZUULJXMRP-NRFANRHFSA-N 1 1 379.504 3.685 50 0 GHAAMO COc1ccccc1N1CC[C@H]([NH+]2CCC(Nc3ccccc3F)CC2)C1=O ZINC000151686085 875789281 /nfs/dbraw/zinc/78/92/81/875789281.db2.gz DLDYAYTZBTWXQH-FQEVSTJZSA-N 1 1 383.467 3.516 50 0 GHAAMO COc1ccccc1COC1CC[NH+]([C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000179752947 877940745 /nfs/dbraw/zinc/94/07/45/877940745.db2.gz XTKKQAFDXZZBTR-OAQYLSRUSA-N 1 1 398.478 3.621 50 0 GHAAMO CC(=O)CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000252457524 884401327 /nfs/dbraw/zinc/40/13/27/884401327.db2.gz ORFXYXDFNCJWSI-GMAHTHKFSA-N 1 1 385.479 3.924 50 0 GHAAMO CO[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)o1 ZINC000670459570 893648337 /nfs/dbraw/zinc/64/83/37/893648337.db2.gz WIPVJUGLRLCXRN-KXTWHKPSSA-N 1 1 380.488 3.620 50 0 GHAAMO CO[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)o1 ZINC000670459570 893648348 /nfs/dbraw/zinc/64/83/48/893648348.db2.gz WIPVJUGLRLCXRN-KXTWHKPSSA-N 1 1 380.488 3.620 50 0 GHAAMO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000585084474 897126600 /nfs/dbraw/zinc/12/66/00/897126600.db2.gz UCDCGQLDSDGNHR-GOSISDBHSA-N 1 1 384.480 3.758 50 0 GHAAMO COCCN(C)c1ccc(C[N@@H+](CC2CCOCC2)[C@H](C)c2cccnc2)cn1 ZINC000585084657 897142065 /nfs/dbraw/zinc/14/20/65/897142065.db2.gz GIWJZHNLVHLRLQ-LJQANCHMSA-N 1 1 398.551 3.549 50 0 GHAAMO Cc1nc(COc2ccc(C[N@H+]3CCC[C@H](c4ccnc(N)n4)C3)cc2)cs1 ZINC000952845820 904627756 /nfs/dbraw/zinc/62/77/56/904627756.db2.gz VCNKKYROEHXTAL-KRWDZBQOSA-N 1 1 395.532 3.782 50 0 GHAAMO COc1ccccc1-c1ncc(CN(C)C[C@H]2Cc3ccccc3C[N@H+]2C)cn1 ZINC000952975854 904654711 /nfs/dbraw/zinc/65/47/11/904654711.db2.gz GVINFKHFKZPDPP-OAQYLSRUSA-N 1 1 388.515 3.641 50 0 GHAAMO COc1ccccc1-c1ncc(C[N@H+](C)C[C@H]2Cc3ccccc3CN2C)cn1 ZINC000952975854 904654721 /nfs/dbraw/zinc/65/47/21/904654721.db2.gz GVINFKHFKZPDPP-OAQYLSRUSA-N 1 1 388.515 3.641 50 0 GHAAMO Cc1ccsc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccn3)no2)C1 ZINC000952977274 904656172 /nfs/dbraw/zinc/65/61/72/904656172.db2.gz JRILSFLFSGJUFK-INIZCTEOSA-N 1 1 396.516 3.749 50 0 GHAAMO Cc1ccsc1C(=O)NC[C@H]1CCC[N@@H+](Cc2cc(-c3ccccn3)no2)C1 ZINC000952977297 904656480 /nfs/dbraw/zinc/65/64/80/904656480.db2.gz JRILSFLFSGJUFK-MRXNPFEDSA-N 1 1 396.516 3.749 50 0 GHAAMO COCC(=O)Nc1ccc(NC(=O)[C@H](C)[N@@H+](C)C2CCCCC2)cc1Cl ZINC000952982173 904668615 /nfs/dbraw/zinc/66/86/15/904668615.db2.gz XYSJGWZOOVMGQI-ZDUSSCGKSA-N 1 1 381.904 3.516 50 0 GHAAMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)N[C@H](C)CC3CC3)CC2)c1C ZINC000112752488 909351259 /nfs/dbraw/zinc/35/12/59/909351259.db2.gz PNFMMMNIMWUJNQ-MRXNPFEDSA-N 1 1 388.556 3.501 50 0 GHAAMO Cc1nc(C)c(CCC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)c(=O)[nH]1 ZINC000125170185 914937968 /nfs/dbraw/zinc/93/79/68/914937968.db2.gz COYFNDQHJNGWKL-UHFFFAOYSA-N 1 1 396.535 3.723 50 0 GHAAMO COc1ccc(/C=C/C[N@H+]2CCc3ccc(NC(=O)[C@H]4CCCO4)cc3C2)cc1 ZINC000015070939 919357403 /nfs/dbraw/zinc/35/74/03/919357403.db2.gz IMWPZYFDMMBCMG-KFVKGYIZSA-N 1 1 392.499 3.884 50 0 GHAAMO Cc1occc1C(=O)Nc1ccc(C(=O)N(C)CC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000055309122 1021753883 /nfs/dbraw/zinc/75/38/83/1021753883.db2.gz WKMBXRSVERCTMP-INIZCTEOSA-N 1 1 383.492 3.787 50 0 GHAAMO Cc1ccc(NC(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)cc1NC(=O)C1CCCC1 ZINC000426514666 231232264 /nfs/dbraw/zinc/23/22/64/231232264.db2.gz NYTOSBQMLRJSHN-MOPGFXCFSA-N 1 1 384.524 3.824 50 0 GHAAMO O=C1C[C@H]([N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)C(=O)N1c1ccccc1 ZINC000229482943 206260067 /nfs/dbraw/zinc/26/00/67/206260067.db2.gz XNHGRUFQMFHVIX-QAPCUYQASA-N 1 1 391.496 3.808 50 0 GHAAMO O=C1C[C@H]([N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)C(=O)N1c1ccccc1 ZINC000229482943 206260069 /nfs/dbraw/zinc/26/00/69/206260069.db2.gz XNHGRUFQMFHVIX-QAPCUYQASA-N 1 1 391.496 3.808 50 0 GHAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4F)o2)N3)C1 ZINC000001249447 206370989 /nfs/dbraw/zinc/37/09/89/206370989.db2.gz JFJJDQHDOZYOSW-SFHVURJKSA-N 1 1 383.448 3.989 50 0 GHAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4F)o2)N3)C1 ZINC000001249447 206370993 /nfs/dbraw/zinc/37/09/93/206370993.db2.gz JFJJDQHDOZYOSW-SFHVURJKSA-N 1 1 383.448 3.989 50 0 GHAAMO O=C(C(=O)N1CCC([C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1)c1ccccc1 ZINC000011818015 206834264 /nfs/dbraw/zinc/83/42/64/206834264.db2.gz NJFDWOTUIZBTCQ-QHCPKHFHSA-N 1 1 390.527 3.673 50 0 GHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)CCc2ccncc2)C1 ZINC000012448987 206899561 /nfs/dbraw/zinc/89/95/61/206899561.db2.gz RRAWZZCHRCBJDF-JOCHJYFZSA-N 1 1 379.548 3.736 50 0 GHAAMO COCc1c2ccccc2oc1C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000014202134 207014645 /nfs/dbraw/zinc/01/46/45/207014645.db2.gz UDROXFPQTJVGFB-SFHVURJKSA-N 1 1 382.460 3.621 50 0 GHAAMO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([N@@H+](CC)Cc1ccccc1)C2 ZINC000014541571 207023209 /nfs/dbraw/zinc/02/32/09/207023209.db2.gz LEULNQXLIPNKCW-HXUWFJFHSA-N 1 1 394.563 3.909 50 0 GHAAMO Cc1ccc2c(c1)cc(C[N@H+]1CCC[C@@H](O)C1)c(=O)n2Cc1ccccc1Cl ZINC000014968778 207035029 /nfs/dbraw/zinc/03/50/29/207035029.db2.gz XFUGTWXHGIWCLX-HXUWFJFHSA-N 1 1 396.918 3.968 50 0 GHAAMO O=C1N(Cc2ccc(F)cc2)CCC[C@]12CC[N@H+](C1Cc3ccccc3C1)C2 ZINC000014968272 207035044 /nfs/dbraw/zinc/03/50/44/207035044.db2.gz NGRPOHQIFIWZKU-XMMPIXPASA-N 1 1 378.491 3.808 50 0 GHAAMO Cc1cc(F)ccc1N1CCC([N@H+]2CCC[C@H](CCC(=O)NC3CC3)C2)CC1 ZINC000015065927 207043247 /nfs/dbraw/zinc/04/32/47/207043247.db2.gz BQOPSGFXNRIFGZ-GOSISDBHSA-N 1 1 387.543 3.874 50 0 GHAAMO CCc1ccc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@@H+]24)o1 ZINC000015068869 207044010 /nfs/dbraw/zinc/04/40/10/207044010.db2.gz ROJGESBSECHSBR-LTMIRXACSA-N 1 1 380.488 3.789 50 0 GHAAMO Cc1cccc(Nc2nc(N3CC[NH+](C)CC3)nc3c2cnn3-c2ccccc2)c1 ZINC000017135419 207086301 /nfs/dbraw/zinc/08/63/01/207086301.db2.gz GLAOBCKJTKRUDN-UHFFFAOYSA-N 1 1 399.502 3.619 50 0 GHAAMO O=C(C[NH2+]Cc1ccco1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000017080069 207083649 /nfs/dbraw/zinc/08/36/49/207083649.db2.gz JTELGKVFKGHGLN-UHFFFAOYSA-N 1 1 392.278 3.894 50 0 GHAAMO CCOc1ccccc1CN1CC[N@@H+](CCCc2ccccc2)C[C@@H]1CCO ZINC000019835641 207164563 /nfs/dbraw/zinc/16/45/63/207164563.db2.gz IFIQYWCHJSHUMK-QHCPKHFHSA-N 1 1 382.548 3.587 50 0 GHAAMO C[NH+]1CCN(CC(=O)N2c3ccccc3[C@](C)(c3ccccc3)CC2(C)C)CC1 ZINC000019925477 207169453 /nfs/dbraw/zinc/16/94/53/207169453.db2.gz ABWVZIKPCCNRGU-VWLOTQADSA-N 1 1 391.559 3.755 50 0 GHAAMO COc1ccc(Cc2nc3c4c5c(sc4ncn3n2)C[N@@H+](C(C)C)CC5)cc1 ZINC000020266171 207185994 /nfs/dbraw/zinc/18/59/94/207185994.db2.gz FIJGZCKARUGXFZ-UHFFFAOYSA-N 1 1 393.516 3.705 50 0 GHAAMO COc1ccc(Cc2nc3c4c5c(sc4ncn3n2)C[N@H+](C(C)C)CC5)cc1 ZINC000020266171 207185999 /nfs/dbraw/zinc/18/59/99/207185999.db2.gz FIJGZCKARUGXFZ-UHFFFAOYSA-N 1 1 393.516 3.705 50 0 GHAAMO OCC[C@@H]1CN(Cc2cnc(-c3ccccc3)s2)CC[N@@H+]1Cc1cccs1 ZINC000020351473 207188789 /nfs/dbraw/zinc/18/87/89/207188789.db2.gz QJAILLQEGIFLNU-GOSISDBHSA-N 1 1 399.585 3.940 50 0 GHAAMO OCC[C@@H]1CN(Cc2cnc(-c3ccccc3)s2)CC[N@H+]1Cc1cccs1 ZINC000020351473 207188791 /nfs/dbraw/zinc/18/87/91/207188791.db2.gz QJAILLQEGIFLNU-GOSISDBHSA-N 1 1 399.585 3.940 50 0 GHAAMO Cc1ccccc1C[N@H+]1CCN(Cc2ccc3cccc(F)c3n2)C[C@@H]1CCO ZINC000020535002 207201570 /nfs/dbraw/zinc/20/15/70/207201570.db2.gz CFIVWYOUHGDACT-QFIPXVFZSA-N 1 1 393.506 3.751 50 0 GHAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3ccc(C)s3)C2)CC1 ZINC000020541014 207203034 /nfs/dbraw/zinc/20/30/34/207203034.db2.gz MNYXUAQIYZWKHS-LJQANCHMSA-N 1 1 385.577 3.852 50 0 GHAAMO CCc1cc2c(C[N@@H+](C)CCOc3ccc(OC)cc3)cc(=O)oc2cc1O ZINC000020799318 207215080 /nfs/dbraw/zinc/21/50/80/207215080.db2.gz IKXGJXXNBXMKBC-UHFFFAOYSA-N 1 1 383.444 3.580 50 0 GHAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)NCc1cccnc1 ZINC000020906791 207218965 /nfs/dbraw/zinc/21/89/65/207218965.db2.gz XTRRMODUBKXENM-QHCPKHFHSA-N 1 1 387.483 3.724 50 0 GHAAMO O=C(NC[C@@H]1CC[N@H+](C2CCCC2)C1)Nc1ccc(Br)cc1F ZINC000021175406 207229013 /nfs/dbraw/zinc/22/90/13/207229013.db2.gz FPDBTNAHKCTGPB-LBPRGKRZSA-N 1 1 384.293 3.974 50 0 GHAAMO Cc1oc(-c2cccs2)nc1CN1CC[N@@H+](Cc2ccccc2)[C@H](CCO)C1 ZINC000022852992 207262915 /nfs/dbraw/zinc/26/29/15/207262915.db2.gz QEBARYFWCBRNHS-LJQANCHMSA-N 1 1 397.544 3.780 50 0 GHAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(-c2ccc(F)cc2)o1 ZINC000022462375 207255158 /nfs/dbraw/zinc/25/51/58/207255158.db2.gz WAAIZBLQSNFBQM-UHFFFAOYSA-N 1 1 386.467 3.851 50 0 GHAAMO O=c1cc(C(F)F)nc(-c2cccc(C[N@H+]3CCOC4(CCCC4)C3)c2)[nH]1 ZINC000023145600 207269627 /nfs/dbraw/zinc/26/96/27/207269627.db2.gz BATIEVMUBWJNHB-UHFFFAOYSA-N 1 1 375.419 3.520 50 0 GHAAMO CNC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cccn3)cc2C)s1 ZINC000023337518 207275585 /nfs/dbraw/zinc/27/55/85/207275585.db2.gz KOMAIQJDYSZQNQ-SFHVURJKSA-N 1 1 380.517 3.939 50 0 GHAAMO Clc1ccccc1Cc1noc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000023358813 207276072 /nfs/dbraw/zinc/27/60/72/207276072.db2.gz YGVOIYZWIJPJJH-UHFFFAOYSA-N 1 1 382.895 3.632 50 0 GHAAMO c1[nH]nc(-c2cccc3ccccc32)c1C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000023367032 207276096 /nfs/dbraw/zinc/27/60/96/207276096.db2.gz ZNZCQTKEXKZPGM-UHFFFAOYSA-N 1 1 390.531 3.774 50 0 GHAAMO CN(CCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000023361170 207276276 /nfs/dbraw/zinc/27/62/76/207276276.db2.gz KABAHLIVUIANLA-RUZDIDTESA-N 1 1 392.591 3.685 50 0 GHAAMO CN(CCc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000023361170 207276280 /nfs/dbraw/zinc/27/62/80/207276280.db2.gz KABAHLIVUIANLA-RUZDIDTESA-N 1 1 392.591 3.685 50 0 GHAAMO CCn1c(SC[C@@H]2C[N@@H+](CC(C)C)CCO2)nc2sc(C)c(C)c2c1=O ZINC000023674766 207281673 /nfs/dbraw/zinc/28/16/73/207281673.db2.gz CDIBYMSXSRSNDF-HNNXBMFYSA-N 1 1 395.594 3.544 50 0 GHAAMO Cn1cc(CCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)cn1 ZINC000012314506 207287630 /nfs/dbraw/zinc/28/76/30/207287630.db2.gz OGXVRCXORVLOJB-QHCPKHFHSA-N 1 1 386.584 3.638 50 0 GHAAMO Cc1sc2nc(-c3cccnc3)nc(NCCC[NH+]3CCOCC3)c2c1C ZINC000025480786 207305064 /nfs/dbraw/zinc/30/50/64/207305064.db2.gz QDPRVDYQHHIMFT-UHFFFAOYSA-N 1 1 383.521 3.504 50 0 GHAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(C)cc3)[N@H+]3CCC[C@@]23C1=O ZINC000012593523 207324238 /nfs/dbraw/zinc/32/42/38/207324238.db2.gz NYENWCRQNWCNMP-HFMPRLQTSA-N 1 1 376.500 3.942 50 0 GHAAMO CN1CC[NH+](Cc2ccccc2CNC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000040089764 207337441 /nfs/dbraw/zinc/33/74/41/207337441.db2.gz KQYTXDIBNZCKBV-UHFFFAOYSA-N 1 1 392.330 3.671 50 0 GHAAMO COc1ccc(-c2nc(CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)cs2)cc1 ZINC000028349606 207340331 /nfs/dbraw/zinc/34/03/31/207340331.db2.gz FGGYEEZWUMFIRW-PXNSSMCTSA-N 1 1 399.560 3.742 50 0 GHAAMO C[NH+](C)[C@H](CNC(=O)/C=C/c1cnn(-c2ccccc2)c1)c1ccccc1Cl ZINC000029930092 207368326 /nfs/dbraw/zinc/36/83/26/207368326.db2.gz KHBMENUXVJIRHX-JNCYCUAHSA-N 1 1 394.906 3.958 50 0 GHAAMO COc1ccccc1[C@H]1CC(c2cccc(F)c2)=NN1C(=O)C[NH+]1CCCCC1 ZINC000036345392 207522813 /nfs/dbraw/zinc/52/28/13/207522813.db2.gz XFTXXHBIYZAWKJ-OAQYLSRUSA-N 1 1 395.478 3.998 50 0 GHAAMO COc1ccc(-c2nn(-c3ccccc3F)cc2CN(C)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000072426478 208021894 /nfs/dbraw/zinc/02/18/94/208021894.db2.gz JHXBUUZHXAUZHP-LJQANCHMSA-N 1 1 394.494 3.823 50 0 GHAAMO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)[C@@H]2CCN(C)C2)cc1 ZINC000072426478 208021897 /nfs/dbraw/zinc/02/18/97/208021897.db2.gz JHXBUUZHXAUZHP-LJQANCHMSA-N 1 1 394.494 3.823 50 0 GHAAMO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@@H+](C)[C@@H]2CCN(C)C2)cc1 ZINC000072426478 208021903 /nfs/dbraw/zinc/02/19/03/208021903.db2.gz JHXBUUZHXAUZHP-LJQANCHMSA-N 1 1 394.494 3.823 50 0 GHAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000072433266 208024700 /nfs/dbraw/zinc/02/47/00/208024700.db2.gz LSPPZPGLJFJTNK-IBGZPJMESA-N 1 1 389.499 3.916 50 0 GHAAMO COc1ccc2cc(C[N@H+]3CCNC(=O)CC3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072432176 208024888 /nfs/dbraw/zinc/02/48/88/208024888.db2.gz JYCRJSZZJFRGSR-UHFFFAOYSA-N 1 1 395.890 3.886 50 0 GHAAMO Cc1ccc(-n2cc(C[N@@H+]3CCCC[C@@H]3C(N)=O)c(-c3cccc(C)c3)n2)cc1 ZINC000072480624 208033966 /nfs/dbraw/zinc/03/39/66/208033966.db2.gz TUZKAGXGXGMRQB-JOCHJYFZSA-N 1 1 388.515 3.996 50 0 GHAAMO Cc1ccc(-n2cc(C[N@H+]3CCCC[C@@H]3C(N)=O)c(-c3cccc(C)c3)n2)cc1 ZINC000072480624 208033971 /nfs/dbraw/zinc/03/39/71/208033971.db2.gz TUZKAGXGXGMRQB-JOCHJYFZSA-N 1 1 388.515 3.996 50 0 GHAAMO Cc1ccc([C@H](C)CC[NH+]2CCC3(CCC(=O)N(CCc4cnc[nH]4)C3)CC2)o1 ZINC000091585947 208126829 /nfs/dbraw/zinc/12/68/29/208126829.db2.gz KYZUFTCCTHZKGC-GOSISDBHSA-N 1 1 398.551 3.752 50 0 GHAAMO CCn1ccc2c1cccc2C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccnc1)C2 ZINC000091616515 208127157 /nfs/dbraw/zinc/12/71/57/208127157.db2.gz JMCVAMNIFYRDGG-WIYYLYMNSA-N 1 1 388.515 3.793 50 0 GHAAMO Cc1nc(C)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CCCc2ccccc2)C3)s1 ZINC000091645879 208129518 /nfs/dbraw/zinc/12/95/18/208129518.db2.gz XWQHTVNTLSVOSG-VQTJNVASSA-N 1 1 383.561 3.929 50 0 GHAAMO CCn1ccc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](CC)C3)n1 ZINC000091468673 208120015 /nfs/dbraw/zinc/12/00/15/208120015.db2.gz IBVQDFKQSKTJPF-FQEVSTJZSA-N 1 1 380.536 3.635 50 0 GHAAMO CCn1nc(C)c(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccc(OC)cc2)C3)c1C ZINC000095355497 208158966 /nfs/dbraw/zinc/15/89/66/208158966.db2.gz CNCZOKRIPMHFGY-LEWJYISDSA-N 1 1 382.552 3.625 50 0 GHAAMO CC(C)=CCN1CC2(CC1=O)CC[NH+](Cc1cc(CN(C)C)cs1)CC2 ZINC000095361996 208161011 /nfs/dbraw/zinc/16/10/11/208161011.db2.gz RDUVQVCUNVIODS-UHFFFAOYSA-N 1 1 375.582 3.590 50 0 GHAAMO O=C(c1cc(-c2ccccc2)n[nH]1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000095381442 208171815 /nfs/dbraw/zinc/17/18/15/208171815.db2.gz UAXWVBFJJXDTTO-PZJWPPBQSA-N 1 1 386.499 3.813 50 0 GHAAMO O=C(c1cc(-c2ccccc2)[nH]n1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095381442 208171822 /nfs/dbraw/zinc/17/18/22/208171822.db2.gz UAXWVBFJJXDTTO-PZJWPPBQSA-N 1 1 386.499 3.813 50 0 GHAAMO O=C(c1cc(-c2ccccc2)[nH]n1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000095381442 208171827 /nfs/dbraw/zinc/17/18/27/208171827.db2.gz UAXWVBFJJXDTTO-PZJWPPBQSA-N 1 1 386.499 3.813 50 0 GHAAMO C[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CCc3ccncc3)CC2)C1 ZINC000095379031 208171847 /nfs/dbraw/zinc/17/18/47/208171847.db2.gz BPLLYLNNXJJKFG-JOCHJYFZSA-N 1 1 377.532 3.742 50 0 GHAAMO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cnc(C)cn3)CC2)C1 ZINC000092022295 208147467 /nfs/dbraw/zinc/14/74/67/208147467.db2.gz TZPAMPNGGFWNPV-FQEVSTJZSA-N 1 1 378.520 3.517 50 0 GHAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)c1cccn1C1CC1 ZINC000095509976 208209880 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3.523 50 0 GHAAMO CCn1c(CN(C)C)nnc1C1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000096137249 208267782 /nfs/dbraw/zinc/26/77/82/208267782.db2.gz SMOYRZBNHXHVHG-UHFFFAOYSA-N 1 1 379.911 3.532 50 0 GHAAMO CC[N@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)[C@H](C)c1cccc(OC)c1 ZINC000097127741 208338412 /nfs/dbraw/zinc/33/84/12/208338412.db2.gz SDXVIFUJKJZUHG-CQSZACIVSA-N 1 1 397.475 3.532 50 0 GHAAMO CC[N@@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)[C@H](C)c1cccc(OC)c1 ZINC000097127741 208338415 /nfs/dbraw/zinc/33/84/15/208338415.db2.gz SDXVIFUJKJZUHG-CQSZACIVSA-N 1 1 397.475 3.532 50 0 GHAAMO Cc1cc(C(=O)NC[C@@H](c2ccccc2F)[NH+]2CCCC2)cc2sc(N)nc21 ZINC000097213172 208343539 /nfs/dbraw/zinc/34/35/39/208343539.db2.gz NNWHIXCPJLLGRH-KRWDZBQOSA-N 1 1 398.507 3.893 50 0 GHAAMO c1ccc(C[N@@H+](Cc2cccc(Oc3ncccn3)c2)C[C@H]2CCCO2)nc1 ZINC000097360256 208353978 /nfs/dbraw/zinc/35/39/78/208353978.db2.gz PMGWZRJIJJXECK-OAQYLSRUSA-N 1 1 376.460 3.845 50 0 GHAAMO c1ccc(C[N@H+](Cc2cccc(Oc3ncccn3)c2)C[C@H]2CCCO2)nc1 ZINC000097360256 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Cc1ccc(-c2nc(CNC(=O)[C@H]3CCCC[N@@H+]3C)[nH]c2-c2ccccn2)cc1 ZINC000067872180 570795157 /nfs/dbraw/zinc/79/51/57/570795157.db2.gz GSJJZSVYPVJBNF-LJQANCHMSA-N 1 1 389.503 3.548 50 0 GHAAMO Cc1ccc(-c2[nH]c(CNC(=O)[C@H]3CCCC[N@H+]3C)nc2-c2ccccn2)cc1 ZINC000067872180 570795162 /nfs/dbraw/zinc/79/51/62/570795162.db2.gz GSJJZSVYPVJBNF-LJQANCHMSA-N 1 1 389.503 3.548 50 0 GHAAMO Cc1ccc(-c2[nH]c(CNC(=O)[C@H]3CCCC[N@@H+]3C)nc2-c2ccccn2)cc1 ZINC000067872180 570795165 /nfs/dbraw/zinc/79/51/65/570795165.db2.gz GSJJZSVYPVJBNF-LJQANCHMSA-N 1 1 389.503 3.548 50 0 GHAAMO Brc1ccc(OCC[N@@H+]2CCC[C@H]2c2nnc3ccccn32)cc1 ZINC000032797406 570819887 /nfs/dbraw/zinc/81/98/87/570819887.db2.gz MHABKUZKWBWWSU-INIZCTEOSA-N 1 1 387.281 3.708 50 0 GHAAMO Brc1ccc(OCC[N@H+]2CCC[C@H]2c2nnc3ccccn32)cc1 ZINC000032797406 570819888 /nfs/dbraw/zinc/81/98/88/570819888.db2.gz MHABKUZKWBWWSU-INIZCTEOSA-N 1 1 387.281 3.708 50 0 GHAAMO O=C(NC1CCCCC1)[C@H]1CCC[N@H+](C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000065554684 570834855 /nfs/dbraw/zinc/83/48/55/570834855.db2.gz ZTCZIXZBNSDFHI-LPHOPBHVSA-N 1 1 398.469 3.900 50 0 GHAAMO COc1cccnc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071764686 570851412 /nfs/dbraw/zinc/85/14/12/570851412.db2.gz MITSYPYACQIFHU-LJQANCHMSA-N 1 1 385.483 3.602 50 0 GHAAMO COc1ccc2cc([C@@H]3C[N@H+](C4CCN(C(=O)C5CC5)CC4)CCO3)ccc2c1 ZINC000071767558 570852173 /nfs/dbraw/zinc/85/21/73/570852173.db2.gz SDMSQSUXPZYGHD-QHCPKHFHSA-N 1 1 394.515 3.623 50 0 GHAAMO O=S(=O)(c1cccnc1)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000072122355 570867205 /nfs/dbraw/zinc/86/72/05/570867205.db2.gz OORPIPUXEIKYHZ-NRFANRHFSA-N 1 1 391.581 3.529 50 0 GHAAMO O=C(C[NH2+]Cc1ccco1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2 ZINC000004554276 570880692 /nfs/dbraw/zinc/88/06/92/570880692.db2.gz SGBYGHLYMULJMS-UHFFFAOYSA-N 1 1 395.484 3.810 50 0 GHAAMO COc1ccc(-c2cccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)C3)c2)c2cccnc12 ZINC000534645916 570910032 /nfs/dbraw/zinc/91/00/32/570910032.db2.gz YHKDQPUAXSYUSY-GOSISDBHSA-N 1 1 375.472 3.687 50 0 GHAAMO COc1ccc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1Br ZINC000046989457 570938171 /nfs/dbraw/zinc/93/81/71/570938171.db2.gz OZRZSIWZCPPGTR-AWEZNQCLSA-N 1 1 383.330 3.842 50 0 GHAAMO c1cc(CNc2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)n[nH]1 ZINC000032927042 570938514 /nfs/dbraw/zinc/93/85/14/570938514.db2.gz KGSMJXSSLGSJJT-UHFFFAOYSA-N 1 1 382.537 3.891 50 0 GHAAMO C[C@@H]1CCCC[N@H+]1CCCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000032929522 570942701 /nfs/dbraw/zinc/94/27/01/570942701.db2.gz XBLFRZKYURPIMZ-CQSZACIVSA-N 1 1 394.459 3.518 50 0 GHAAMO CC[N@H+]1CCC[C@@H](NC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c32)C1 ZINC000194646718 570957139 /nfs/dbraw/zinc/95/71/39/570957139.db2.gz KAIMWBHSCZSMSN-OAHLLOKOSA-N 1 1 382.464 3.622 50 0 GHAAMO CC[NH+]1CCN(c2c(C(=O)c3ccccc3)cnc3ccc(OC)cc32)CC1 ZINC000004315913 570972263 /nfs/dbraw/zinc/97/22/63/570972263.db2.gz JGZJMVNUYFNVJH-UHFFFAOYSA-N 1 1 375.472 3.616 50 0 GHAAMO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000012750372 571002770 /nfs/dbraw/zinc/00/27/70/571002770.db2.gz UEHPGFHPDGWLBZ-QGZVFWFLSA-N 1 1 395.503 3.518 50 0 GHAAMO CCC[N@@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)n2nc(CC)sc2n1 ZINC000046032471 571013978 /nfs/dbraw/zinc/01/39/78/571013978.db2.gz RHJDYAUXGQNNSK-UHFFFAOYSA-N 1 1 386.521 3.524 50 0 GHAAMO CCC[C@]1(CO)CC[N@@H+](Cc2csc(-c3cccc(OC)c3OC)n2)C1 ZINC000288786722 837521991 /nfs/dbraw/zinc/52/19/91/837521991.db2.gz KWEJKRAMGFXULU-FQEVSTJZSA-N 1 1 376.522 3.812 50 0 GHAAMO Cn1nc(-c2cccc(Cl)c2)cc1C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079190027 835796619 /nfs/dbraw/zinc/79/66/19/835796619.db2.gz PZTOTEPCRWBGJJ-QFBILLFUSA-N 1 1 386.927 3.735 50 0 biogenic GHAAMO CCN1CCN(c2ccc(C[NH2+][C@H](C)c3cc4ccncc4s3)cn2)CC1 ZINC000657839688 835874641 /nfs/dbraw/zinc/87/46/41/835874641.db2.gz YWFCBJJWVKWHKX-MRXNPFEDSA-N 1 1 381.549 3.684 50 0 GHAAMO CC(C)CCN1CC[C@H]([NH+]2CCN([C@H]3CCc4ccccc4C3)CC2)CCC1=O ZINC000023359365 836739658 /nfs/dbraw/zinc/73/96/58/836739658.db2.gz ARAVONUXXIWKFU-RPWUZVMVSA-N 1 1 397.607 3.589 50 0 GHAAMO Cc1cc(C)c(C[N@H+]2C[C@@H](CNC(=O)N3CCCC3)C3(C2)CCOCC3)c(C)c1 ZINC000257173931 838675393 /nfs/dbraw/zinc/67/53/93/838675393.db2.gz ALKANKBKUMGFRU-OAQYLSRUSA-N 1 1 399.579 3.646 50 0 GHAAMO O[C@@]1(c2ccccn2)CCOC2(CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)C1 ZINC000257177121 838724862 /nfs/dbraw/zinc/72/48/62/838724862.db2.gz VWQVYOHTAHDDCJ-NRFANRHFSA-N 1 1 390.886 3.907 50 0 GHAAMO CN(CCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccco3)CC2)C1 ZINC000019741946 839830996 /nfs/dbraw/zinc/83/09/96/839830996.db2.gz FMYFFRSEYGPAEA-HSZRJFAPSA-N 1 1 381.564 3.883 50 0 GHAAMO CN(CCc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccco3)CC2)C1 ZINC000019741946 839831001 /nfs/dbraw/zinc/83/10/01/839831001.db2.gz FMYFFRSEYGPAEA-HSZRJFAPSA-N 1 1 381.564 3.883 50 0 GHAAMO Cc1nc2ccc(NC(=O)C3CCN(C(=O)C=Cc4ccccc4)CC3)cc2[nH]1 ZINC000050826912 840868172 /nfs/dbraw/zinc/86/81/72/840868172.db2.gz FHVUDUHBTBVLQT-YFHOEESVSA-N 1 1 388.471 3.762 50 0 GHAAMO OCC[C@@H]1CN(Cc2ccc3ccccc3n2)CC[N@H+]1CCCc1ccccc1 ZINC000023145124 848920502 /nfs/dbraw/zinc/92/05/02/848920502.db2.gz NPZIYSOPRSBIGC-XMMPIXPASA-N 1 1 389.543 3.736 50 0 GHAAMO COc1ccc(Cl)cc1NC(=S)N1CCC([N@@H+](C)C[C@@H]2CCCO2)CC1 ZINC000003058324 862152894 /nfs/dbraw/zinc/15/28/94/862152894.db2.gz VLTXACOKBKDETJ-INIZCTEOSA-N 1 1 397.972 3.621 50 0 GHAAMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1c2cc(Cl)ccc2[nH]c1C(=O)OC ZINC000002292636 855121256 /nfs/dbraw/zinc/12/12/56/855121256.db2.gz BLANWFMYOGXJSG-ZDUSSCGKSA-N 1 1 377.872 3.811 50 0 GHAAMO CN(C)Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)o1 ZINC000012432061 855580987 /nfs/dbraw/zinc/58/09/87/855580987.db2.gz WUSONBRRXNUGIM-QHCPKHFHSA-N 1 1 399.510 3.609 50 0 GHAAMO CCC(=O)Nc1ccc(OC)cc1NC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000822535769 862739539 /nfs/dbraw/zinc/73/95/39/862739539.db2.gz BJWNIODGHUKFBQ-UHFFFAOYSA-N 1 1 395.503 3.862 50 0 GHAAMO CC[N@H+](Cc1ccc(OC)c(F)c1)[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000008214200 856064093 /nfs/dbraw/zinc/06/40/93/856064093.db2.gz JSHGDJKTWCCBOS-AWEZNQCLSA-N 1 1 387.455 3.642 50 0 GHAAMO CC[N@@H+](Cc1ccc(OC)c(F)c1)[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000008214200 856064097 /nfs/dbraw/zinc/06/40/97/856064097.db2.gz JSHGDJKTWCCBOS-AWEZNQCLSA-N 1 1 387.455 3.642 50 0 GHAAMO CC[C@@H](C)c1ccccc1OCC(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000822662319 862794326 /nfs/dbraw/zinc/79/43/26/862794326.db2.gz YWAWCAOOFZGDPJ-LJQANCHMSA-N 1 1 381.520 3.708 50 0 GHAAMO CC[C@@H](C)c1ccccc1OCC(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000822662319 862794337 /nfs/dbraw/zinc/79/43/37/862794337.db2.gz YWAWCAOOFZGDPJ-LJQANCHMSA-N 1 1 381.520 3.708 50 0 GHAAMO C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1ccccc1Cl ZINC000040050644 856641099 /nfs/dbraw/zinc/64/10/99/856641099.db2.gz DCCFSUIDWZDUIS-SFHVURJKSA-N 1 1 386.858 3.902 50 0 GHAAMO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@@H+]2CCNC(=O)CC2)c(C)s1 ZINC000011934800 858215436 /nfs/dbraw/zinc/21/54/36/858215436.db2.gz RKVZJSYDQVYZIA-UHFFFAOYSA-N 1 1 398.507 3.679 50 0 GHAAMO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+]2CCNC(=O)CC2)c(C)s1 ZINC000011934800 858215440 /nfs/dbraw/zinc/21/54/40/858215440.db2.gz RKVZJSYDQVYZIA-UHFFFAOYSA-N 1 1 398.507 3.679 50 0 GHAAMO NC(=O)c1ccsc1NC(=O)C[N@@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000008037059 863020429 /nfs/dbraw/zinc/02/04/29/863020429.db2.gz BBYIZOUQEPLNGK-UHFFFAOYSA-N 1 1 389.496 3.760 50 0 GHAAMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccon2)C1)c1ccc(-c2ccccc2)cc1 ZINC000012580205 859435335 /nfs/dbraw/zinc/43/53/35/859435335.db2.gz IKJQPIOLGVECSU-SFHVURJKSA-N 1 1 375.472 3.984 50 0 GHAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccon2)C1)c1ccc(-c2ccccc2)cc1 ZINC000012580205 859435341 /nfs/dbraw/zinc/43/53/41/859435341.db2.gz IKJQPIOLGVECSU-SFHVURJKSA-N 1 1 375.472 3.984 50 0 GHAAMO CC(C)(C)n1cc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cn1 ZINC000374816861 859500488 /nfs/dbraw/zinc/50/04/88/859500488.db2.gz GXSVNXGLQBYNDO-GOSISDBHSA-N 1 1 398.555 3.870 50 0 GHAAMO O=c1cc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)nc2ccc(Cl)cn12 ZINC000012986468 859714401 /nfs/dbraw/zinc/71/44/01/859714401.db2.gz CYXODMUCANOJMC-MRXNPFEDSA-N 1 1 389.908 3.591 50 0 GHAAMO O=c1cc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)nc2ccc(Cl)cn12 ZINC000012986468 859714407 /nfs/dbraw/zinc/71/44/07/859714407.db2.gz CYXODMUCANOJMC-MRXNPFEDSA-N 1 1 389.908 3.591 50 0 GHAAMO Cn1cc(C[N@H+]2CCCC[C@H]2c2cccnc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012306192 859846327 /nfs/dbraw/zinc/84/63/27/859846327.db2.gz KPOKIOBXFDWHGW-FQEVSTJZSA-N 1 1 390.487 3.981 50 0 GHAAMO COc1ccc(C[N@H+]2CC[C@@H](n3c(C)cnc3C3CC3)C2)cc1Cn1ccnc1 ZINC000575548957 866188819 /nfs/dbraw/zinc/18/88/19/866188819.db2.gz LRHSMVCWCSCQPX-OAQYLSRUSA-N 1 1 391.519 3.769 50 0 GHAAMO COCc1nc(-c2ccc(O[C@@H]3CC[N@@H+](Cc4cccc(C)c4)C3)cc2)no1 ZINC000581780903 869963416 /nfs/dbraw/zinc/96/34/16/869963416.db2.gz NDGFQAIAESCNPY-HXUWFJFHSA-N 1 1 379.460 3.845 50 0 GHAAMO O=C([C@@H]1OCC[N@H+](C2CC2)[C@H]1c1ccccc1)N1CC=C(c2ccccc2)CC1 ZINC000581801832 870001821 /nfs/dbraw/zinc/00/18/21/870001821.db2.gz ORISAXFLJRRODS-BJKOFHAPSA-N 1 1 388.511 3.907 50 0 GHAAMO O=C([C@@H]1OCC[N@@H+](C2CC2)[C@H]1c1ccccc1)N1CC=C(c2ccccc2)CC1 ZINC000581801832 870001824 /nfs/dbraw/zinc/00/18/24/870001824.db2.gz ORISAXFLJRRODS-BJKOFHAPSA-N 1 1 388.511 3.907 50 0 GHAAMO Clc1cccc(-c2nc(C[N@@H+]3CCC[C@H](CN4CCOCC4)C3)co2)c1 ZINC000069855910 871615880 /nfs/dbraw/zinc/61/58/80/871615880.db2.gz JMCQCNZHLZWMMU-MRXNPFEDSA-N 1 1 375.900 3.539 50 0 GHAAMO Clc1cccc(-c2nc(C[N@H+]3CCC[C@H](CN4CCOCC4)C3)co2)c1 ZINC000069855910 871615887 /nfs/dbraw/zinc/61/58/87/871615887.db2.gz JMCQCNZHLZWMMU-MRXNPFEDSA-N 1 1 375.900 3.539 50 0 GHAAMO COc1ccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)C[C@@]34CCOC4)n2)cc1 ZINC000874434526 883998795 /nfs/dbraw/zinc/99/87/95/883998795.db2.gz SRXVZCLKNNPYDL-NFBKMPQASA-N 1 1 391.471 3.751 50 0 GHAAMO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc2sc(N)nc21 ZINC000670472371 893778370 /nfs/dbraw/zinc/77/83/70/893778370.db2.gz PFICKQPKEZHUEP-CQSZACIVSA-N 1 1 386.546 3.643 50 0 GHAAMO c1ccc(CC[N@H+]2CCC[C@@H](CNCc3cnc(-c4ccccn4)nc3)C2)cc1 ZINC000952976411 904656439 /nfs/dbraw/zinc/65/64/39/904656439.db2.gz ZJFNLUABLWFTQX-NRFANRHFSA-N 1 1 387.531 3.583 50 0 GHAAMO COc1ccc(-c2ccc(C(=O)N[C@H]3CCC[N@H+](Cc4cccnc4)C3)o2)cc1 ZINC000952991867 904665297 /nfs/dbraw/zinc/66/52/97/904665297.db2.gz WRMVBWLABMKEJO-IBGZPJMESA-N 1 1 391.471 3.745 50 0 GHAAMO COc1ccc(-c2ccc(C(=O)N[C@H]3CCC[N@@H+](Cc4cccnc4)C3)o2)cc1 ZINC000952991867 904665303 /nfs/dbraw/zinc/66/53/03/904665303.db2.gz WRMVBWLABMKEJO-IBGZPJMESA-N 1 1 391.471 3.745 50 0 GHAAMO Cc1cccn2c(C[N@H+]3CCC[C@@H](CNC(=O)Nc4cccc(F)c4)C3)cnc12 ZINC000092709003 911726852 /nfs/dbraw/zinc/72/68/52/911726852.db2.gz BSRROKBRYAARFA-KRWDZBQOSA-N 1 1 395.482 3.816 50 0 GHAAMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)CCc2ccccn2)Cc2ccccc2C1 ZINC000019222261 919574595 /nfs/dbraw/zinc/57/45/95/919574595.db2.gz GXDHUPGIKSUKFZ-UHFFFAOYSA-N 1 1 399.538 3.800 50 0 GHAAMO O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)N[C@]12C[C@H]1CCC2 ZINC000663753499 930491406 /nfs/dbraw/zinc/49/14/06/930491406.db2.gz KCWPLOBMSMAIDT-VQIMIIECSA-N 1 1 381.442 3.912 50 0 GHAAMO Cc1ccncc1CC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000666538696 930494467 /nfs/dbraw/zinc/49/44/67/930494467.db2.gz YLDIBGTUCGJVHB-NRFANRHFSA-N 1 1 391.540 3.910 50 0 GHAAMO Cc1ccncc1CC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000666538696 930494468 /nfs/dbraw/zinc/49/44/68/930494468.db2.gz YLDIBGTUCGJVHB-NRFANRHFSA-N 1 1 391.540 3.910 50 0 GHAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cc1c[nH]c2ccccc12 ZINC000409413946 231203606 /nfs/dbraw/zinc/20/36/06/231203606.db2.gz HBJRJJPKBIIOKW-WMZHIEFXSA-N 1 1 397.563 3.840 50 0 biogenic GHAAMO CO[C@]12CC[N@@H+](Cc3cc(C(C)(C)C)n[nH]3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426506909 231231305 /nfs/dbraw/zinc/23/13/05/231231305.db2.gz YNIURGAHLJAZHA-LQBOVUBWSA-N 1 1 384.524 3.693 50 0 GHAAMO OCc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)o1 ZINC000055099357 209113958 /nfs/dbraw/zinc/11/39/58/209113958.db2.gz CLJJNFVLWGWEBQ-NRFANRHFSA-N 1 1 376.447 3.538 50 0 GHAAMO COCCN(Cc1cccnc1)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000095993192 206301037 /nfs/dbraw/zinc/30/10/37/206301037.db2.gz VTEPFXZYJZLGEI-FQEVSTJZSA-N 1 1 396.535 3.563 50 0 GHAAMO COc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1OCc1ccccc1 ZINC000001226390 206369497 /nfs/dbraw/zinc/36/94/97/206369497.db2.gz NJSCBCNYQNEEFZ-UHFFFAOYSA-N 1 1 389.499 3.991 50 0 GHAAMO CN(Cc1ccc(F)cc1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000014957688 207033363 /nfs/dbraw/zinc/03/33/63/207033363.db2.gz CTJNUQULCGVKJJ-QFIPXVFZSA-N 1 1 386.511 3.683 50 0 GHAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CSc3ncccn3)C2)cc1 ZINC000015071328 207045171 /nfs/dbraw/zinc/04/51/71/207045171.db2.gz MVBWVLDTADFTCY-FQEVSTJZSA-N 1 1 398.576 3.548 50 0 GHAAMO COc1ccc(N[C@H]2CCC[N@@H+](Cc3cccn3-c3cccnc3)C2)cc1OC ZINC000015075300 207045766 /nfs/dbraw/zinc/04/57/66/207045766.db2.gz SQGSGSAIUCFCIW-IBGZPJMESA-N 1 1 392.503 3.966 50 0 GHAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)CCc1ccncc1 ZINC000015075378 207045857 /nfs/dbraw/zinc/04/58/57/207045857.db2.gz RXQBOOVGKUJVKN-HXUWFJFHSA-N 1 1 383.511 3.566 50 0 GHAAMO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)CCc4ccncc4)C3)C2)c1 ZINC000015068613 207042731 /nfs/dbraw/zinc/04/27/31/207042731.db2.gz LNCADTSTLLLPQO-XMMPIXPASA-N 1 1 377.532 3.837 50 0 GHAAMO CCOC(=O)N1CCC(N2CC[C@@]3(C2)CCC[N@H+](CC2CCCCC2)C3)CC1 ZINC000015073702 207044512 /nfs/dbraw/zinc/04/45/12/207044512.db2.gz RMSYFWUYLOBOJF-QHCPKHFHSA-N 1 1 391.600 3.976 50 0 GHAAMO CCOC(=O)N1CCC(N2CC[C@@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)CC1 ZINC000015073702 207044516 /nfs/dbraw/zinc/04/45/16/207044516.db2.gz RMSYFWUYLOBOJF-QHCPKHFHSA-N 1 1 391.600 3.976 50 0 GHAAMO COc1ccc(-c2n[nH]cc2CN2CCC[N@H+](C3CCCCC3)CC2)c(OC)c1 ZINC000019635818 207144117 /nfs/dbraw/zinc/14/41/17/207144117.db2.gz JMOCPOJUINVWQH-UHFFFAOYSA-N 1 1 398.551 3.934 50 0 GHAAMO CCOc1cc(CN2CCC[C@@H]([N@@H+](C)CCc3ccccn3)C2)ccc1OC ZINC000019744071 207158004 /nfs/dbraw/zinc/15/80/04/207158004.db2.gz LKFOEOXSJIMRLU-OAQYLSRUSA-N 1 1 383.536 3.628 50 0 GHAAMO Cc1ccccc1C[N@@H+]1CCN(Cc2nc3ccccc3s2)C[C@@H]1CCO ZINC000019838270 207167230 /nfs/dbraw/zinc/16/72/30/207167230.db2.gz MLYMGGUVMXSAQM-IBGZPJMESA-N 1 1 381.545 3.674 50 0 GHAAMO Cc1ccccc1C[N@H+]1CCN(Cc2nc3ccccc3s2)C[C@@H]1CCO ZINC000019838270 207167235 /nfs/dbraw/zinc/16/72/35/207167235.db2.gz MLYMGGUVMXSAQM-IBGZPJMESA-N 1 1 381.545 3.674 50 0 GHAAMO C[C@@H]1C[C@H](OC[C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)CC(C)(C)C1 ZINC000019867189 207168024 /nfs/dbraw/zinc/16/80/24/207168024.db2.gz GFQKJOYOOVSYKW-QYZOEREBSA-N 1 1 378.532 3.540 50 0 GHAAMO C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2cnc(N3CCCC3)s2)C1 ZINC000019771052 207161953 /nfs/dbraw/zinc/16/19/53/207161953.db2.gz UXIYFQLRLXQHFY-HXUWFJFHSA-N 1 1 384.593 3.882 50 0 GHAAMO CCOc1ccc2oc(=O)cc(C[NH+]3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000020352971 207188966 /nfs/dbraw/zinc/18/89/66/207188966.db2.gz JHNJQHGMFGTMQA-UHFFFAOYSA-N 1 1 382.435 3.653 50 0 GHAAMO C[N@@H+](Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)cc1)Cc1ccccn1 ZINC000020513845 207200031 /nfs/dbraw/zinc/20/00/31/207200031.db2.gz DMGHBLBUAFVTPG-UHFFFAOYSA-N 1 1 383.455 3.526 50 0 GHAAMO CN(CCc1ccccn1)C(=O)CC[C@H]1CCC[N@@H+](C/C=C/c2ccco2)C1 ZINC000020782238 207214694 /nfs/dbraw/zinc/21/46/94/207214694.db2.gz FUVMAEHPVRWMAY-MVHVFESUSA-N 1 1 381.520 3.881 50 0 GHAAMO CC[NH+]1CCN(c2nnc(-n3cccc3CNc3cc(C)cc(C)c3)s2)CC1 ZINC000021880883 207240403 /nfs/dbraw/zinc/24/04/03/207240403.db2.gz PSMIWZWBDJGWPN-UHFFFAOYSA-N 1 1 396.564 3.700 50 0 GHAAMO Cc1cc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)c(C)n1Cc1ccco1 ZINC000022009718 207245284 /nfs/dbraw/zinc/24/52/84/207245284.db2.gz BZYDYUPFNMYHNZ-UHFFFAOYSA-N 1 1 391.515 3.747 50 0 GHAAMO C[NH+]1CCN(Cc2ccccc2C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000022028203 207245355 /nfs/dbraw/zinc/24/53/55/207245355.db2.gz HKGCHXCBAFRYAS-UHFFFAOYSA-N 1 1 391.284 3.567 50 0 GHAAMO C[NH+]1CCN([C@@H](CNC(=O)Nc2cccc(Cl)c2)c2cccs2)CC1 ZINC000022424469 207253164 /nfs/dbraw/zinc/25/31/64/207253164.db2.gz ZTRQUSVZZQEKGX-INIZCTEOSA-N 1 1 378.929 3.512 50 0 GHAAMO O=C(CN1CC[NH+](Cc2csc3ccccc23)CC1)Nc1ccccc1F ZINC000022914138 207263444 /nfs/dbraw/zinc/26/34/44/207263444.db2.gz IODLLZILOPAMES-UHFFFAOYSA-N 1 1 383.492 3.797 50 0 GHAAMO C[C@H]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c2ccccc2S1 ZINC000022917692 207264490 /nfs/dbraw/zinc/26/44/90/207264490.db2.gz ZVICSIOBRPNQEU-IBGZPJMESA-N 1 1 395.572 3.722 50 0 GHAAMO Cc1ccc(/C=C2/c3ccc(Cl)cc3N(CN3CC[NH+](C)CC3)C2=O)cc1 ZINC000022786931 207261511 /nfs/dbraw/zinc/26/15/11/207261511.db2.gz FGADZWSDHFRGPM-MOSHPQCFSA-N 1 1 381.907 3.741 50 0 GHAAMO Cc1oc(-c2cccs2)nc1CN1CC[N@@H+](Cc2ccccc2)[C@@H](CCO)C1 ZINC000023144976 207269514 /nfs/dbraw/zinc/26/95/14/207269514.db2.gz QEBARYFWCBRNHS-IBGZPJMESA-N 1 1 397.544 3.780 50 0 GHAAMO CCOC(=O)N1CCN([C@H]2CCC[N@H+](C/C(Cl)=C/c3ccccc3)C2)CC1 ZINC000022925883 207265332 /nfs/dbraw/zinc/26/53/32/207265332.db2.gz XOPRKMKSRFMXRB-YKRMCXMESA-N 1 1 391.943 3.505 50 0 GHAAMO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](C/C(Cl)=C/c3ccccc3)C2)CC1 ZINC000022925883 207265336 /nfs/dbraw/zinc/26/53/36/207265336.db2.gz XOPRKMKSRFMXRB-YKRMCXMESA-N 1 1 391.943 3.505 50 0 GHAAMO COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCN(Cc2cccs2)CC1 ZINC000022930281 207266022 /nfs/dbraw/zinc/26/60/22/207266022.db2.gz XUWITHRFOWNLDO-UHFFFAOYSA-N 1 1 393.940 3.557 50 0 GHAAMO CC(C)c1ccc(NC(=S)N2CCCC[C@@H]2CC[NH+]2CCN(C)CC2)cc1 ZINC000022935541 207266374 /nfs/dbraw/zinc/26/63/74/207266374.db2.gz CPHGHYSIZGJMIL-OAQYLSRUSA-N 1 1 388.625 3.999 50 0 GHAAMO COc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2ccc(-n3ccnc3C)cc2)c1 ZINC000012317628 207287177 /nfs/dbraw/zinc/28/71/77/207287177.db2.gz RZWWBWWNRMJOSL-JOCHJYFZSA-N 1 1 390.487 3.792 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@@H]2C(=O)Nc2ccc(-n3ccnc3C)cc2)c1 ZINC000012317628 207287183 /nfs/dbraw/zinc/28/71/83/207287183.db2.gz RZWWBWWNRMJOSL-JOCHJYFZSA-N 1 1 390.487 3.792 50 0 GHAAMO O=C(CC[N@H+]1CCC[C@H]1c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000026913239 207321603 /nfs/dbraw/zinc/32/16/03/207321603.db2.gz NPBSUBGKDHULIY-QFIPXVFZSA-N 1 1 381.495 3.702 50 0 GHAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc(CSC)cc3)cc2)CC1 ZINC000040089812 207337848 /nfs/dbraw/zinc/33/78/48/207337848.db2.gz WUWPXWRMNIINQM-UHFFFAOYSA-N 1 1 383.561 3.939 50 0 GHAAMO Cc1cc2oc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)cc(=O)c2cc1Cl ZINC000028289506 207340019 /nfs/dbraw/zinc/34/00/19/207340019.db2.gz CHINQASPCHWXLK-CQSZACIVSA-N 1 1 390.892 3.849 50 0 GHAAMO C[C@H](CNS(=O)(=O)c1ccc2ccccc2c1)[N@@H+]1CCc2ccccc2C1 ZINC000028322632 207340859 /nfs/dbraw/zinc/34/08/59/207340859.db2.gz XBAOYBAZPPBOGO-QGZVFWFLSA-N 1 1 380.513 3.565 50 0 GHAAMO C[C@H](CNS(=O)(=O)c1ccc2ccccc2c1)[N@H+]1CCc2ccccc2C1 ZINC000028322632 207340865 /nfs/dbraw/zinc/34/08/65/207340865.db2.gz XBAOYBAZPPBOGO-QGZVFWFLSA-N 1 1 380.513 3.565 50 0 GHAAMO COc1ccccc1OCC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000040107104 207341391 /nfs/dbraw/zinc/34/13/91/207341391.db2.gz OAFHPRJXJFRPLN-SFHVURJKSA-N 1 1 382.504 3.622 50 0 GHAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CC[C@@H](NC(C)=O)C2)cc1 ZINC000072430500 208023933 /nfs/dbraw/zinc/02/39/33/208023933.db2.gz DPNBQMGDNKAFKB-OAQYLSRUSA-N 1 1 389.499 3.929 50 0 GHAAMO COc1ccc(C[N@H+]2CCCC[C@@H]2CCN2CCCC2=O)c(Cl)c1OC ZINC000077471478 208046166 /nfs/dbraw/zinc/04/61/66/208046166.db2.gz FMLVUXOIINUNNB-MRXNPFEDSA-N 1 1 380.916 3.724 50 0 GHAAMO CC[C@@H]1CN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)CC[N@H+]1C(C)C ZINC000082083550 208077857 /nfs/dbraw/zinc/07/78/57/208077857.db2.gz XKGDBNJTMLJERZ-HXUWFJFHSA-N 1 1 376.504 3.946 50 0 GHAAMO CC(C)c1ccc(C[N@@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cc1 ZINC000091574445 208123073 /nfs/dbraw/zinc/12/30/73/208123073.db2.gz HYFDQJOFKMWBSG-UHFFFAOYSA-N 1 1 380.536 3.829 50 0 GHAAMO CC(C)c1ccc(C[N@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cc1 ZINC000091574445 208123077 /nfs/dbraw/zinc/12/30/77/208123077.db2.gz HYFDQJOFKMWBSG-UHFFFAOYSA-N 1 1 380.536 3.829 50 0 GHAAMO O=C(NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2)c1ccc2occc2c1 ZINC000091603569 208125128 /nfs/dbraw/zinc/12/51/28/208125128.db2.gz RKBYGAVWMHRWDL-UHFFFAOYSA-N 1 1 378.476 3.708 50 0 GHAAMO CCc1cc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](CC)C3)[nH]n1 ZINC000091602610 208126009 /nfs/dbraw/zinc/12/60/09/208126009.db2.gz FRMZIOBZXSSZFE-IBGZPJMESA-N 1 1 380.536 3.704 50 0 GHAAMO CCc1cc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](CC)C3)n[nH]1 ZINC000091602610 208126012 /nfs/dbraw/zinc/12/60/12/208126012.db2.gz FRMZIOBZXSSZFE-IBGZPJMESA-N 1 1 380.536 3.704 50 0 GHAAMO CCc1cc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](CC)C3)n[nH]1 ZINC000091602610 208126017 /nfs/dbraw/zinc/12/60/17/208126017.db2.gz FRMZIOBZXSSZFE-IBGZPJMESA-N 1 1 380.536 3.704 50 0 GHAAMO CSc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4cnc[nH]4)C3)CC2)cc1 ZINC000091807838 208137923 /nfs/dbraw/zinc/13/79/23/208137923.db2.gz VRBZZTLWHVCJHZ-UHFFFAOYSA-N 1 1 398.576 3.579 50 0 GHAAMO Cc1[nH+]ccn1CCCSc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000089735704 208107294 /nfs/dbraw/zinc/10/72/94/208107294.db2.gz NVLLASIUTMZMPV-UHFFFAOYSA-N 1 1 380.473 3.725 50 0 GHAAMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000089783080 208109745 /nfs/dbraw/zinc/10/97/45/208109745.db2.gz LFLYVYAJCOCPJT-MOPGFXCFSA-N 1 1 376.928 3.521 50 0 GHAAMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000089783080 208109751 /nfs/dbraw/zinc/10/97/51/208109751.db2.gz LFLYVYAJCOCPJT-MOPGFXCFSA-N 1 1 376.928 3.521 50 0 GHAAMO COCCCN1CC2(CCC1=O)CC[NH+](Cc1ccc(Cl)cc1F)CC2 ZINC000091440967 208116760 /nfs/dbraw/zinc/11/67/60/208116760.db2.gz XIMKNWOKPPEKCV-UHFFFAOYSA-N 1 1 382.907 3.720 50 0 GHAAMO O=C(NCc1cc2n(n1)CCC[N@@H+](Cc1ccc3ccccc3c1)C2)C1CCC1 ZINC000091444526 208119345 /nfs/dbraw/zinc/11/93/45/208119345.db2.gz KZSYINUYSMPVFF-UHFFFAOYSA-N 1 1 388.515 3.859 50 0 GHAAMO CCNc1nc(C)c(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)s1 ZINC000095362858 208163613 /nfs/dbraw/zinc/16/36/13/208163613.db2.gz SRBGGCAMVLFXTJ-QZTJIDSGSA-N 1 1 384.549 3.620 50 0 GHAAMO CCOc1ccc(C[N@H+]2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000095374352 208168991 /nfs/dbraw/zinc/16/89/91/208168991.db2.gz POTIWUZQSILGBL-RBZQAINGSA-N 1 1 378.516 3.853 50 0 GHAAMO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3cncc(F)c3)CC2)C1 ZINC000091997127 208143277 /nfs/dbraw/zinc/14/32/77/208143277.db2.gz YNANVADUPJHMHG-HXUWFJFHSA-N 1 1 381.495 3.953 50 0 GHAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3nc(C)no3)C2)cc1Cl ZINC000095509837 208209699 /nfs/dbraw/zinc/20/96/99/208209699.db2.gz LWZXFVYIAVWBHV-CQSZACIVSA-N 1 1 392.887 3.671 50 0 GHAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3nc(C)no3)C2)cc1Cl ZINC000095509837 208209705 /nfs/dbraw/zinc/20/97/05/208209705.db2.gz LWZXFVYIAVWBHV-CQSZACIVSA-N 1 1 392.887 3.671 50 0 GHAAMO CC(=O)Nc1cc(C(=O)O[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000095468927 208190354 /nfs/dbraw/zinc/19/03/54/208190354.db2.gz HDJRRJKUABLNOA-KXBFYZLASA-N 1 1 384.451 3.852 50 0 GHAAMO FC(F)[C@@H](CCc1ccccc1)[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000095467435 208191047 /nfs/dbraw/zinc/19/10/47/208191047.db2.gz AJWRVBOUCYTQQD-QZTJIDSGSA-N 1 1 380.504 3.978 50 0 GHAAMO c1cn(Cc2ccncc2)c(C2CCN(c3noc(-c4ccccc4)n3)CC2)[nH+]1 ZINC000095497274 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GHAAMO Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]([N@@H+](C)Cc4ccccc4)C3)[nH]n2)o1 ZINC000012303384 859186797 /nfs/dbraw/zinc/18/67/97/859186797.db2.gz ZDZRAMXQPPSKLS-GOSISDBHSA-N 1 1 378.476 3.715 50 0 GHAAMO COc1cc2c(cc1OC)C[N@H+]([C@H]1CCCN(C(=O)C3=CCCCC3)C1)CC2 ZINC000012207677 859311363 /nfs/dbraw/zinc/31/13/63/859311363.db2.gz XPSBONFQJILRHN-FQEVSTJZSA-N 1 1 384.520 3.553 50 0 GHAAMO CC(C)=CC[N@H+]1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000012596503 859448979 /nfs/dbraw/zinc/44/89/79/859448979.db2.gz XYLOLJQGSTWFTC-QHCPKHFHSA-N 1 1 383.580 3.789 50 0 GHAAMO Cc1ccc(C)c(S(=O)(=O)NCC[NH+]2CCC(c3cccs3)CC2)c1 ZINC000077104141 859509159 /nfs/dbraw/zinc/50/91/59/859509159.db2.gz UCVIGHLQNKRXEY-UHFFFAOYSA-N 1 1 378.563 3.523 50 0 GHAAMO CN(C(=O)Cn1ncc2ccccc21)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012835332 859617908 /nfs/dbraw/zinc/61/79/08/859617908.db2.gz IRXKYHVDQILBBC-QFIPXVFZSA-N 1 1 390.531 3.592 50 0 GHAAMO O=C(c1cn2cccnc2n1)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000012316524 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BAYXCIQMNSCTEL-UHFFFAOYSA-N 1 1 378.476 3.846 50 0 GHAAMO C[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)Cc1ccccc1N1CCOCC1 ZINC000121279210 863239457 /nfs/dbraw/zinc/23/94/57/863239457.db2.gz MPGRXAHBWSMPNN-UHFFFAOYSA-N 1 1 398.457 3.824 50 0 GHAAMO COCc1nc(-c2ccc(O[C@H]3CC[N@@H+](Cc4cccc(C)c4)C3)cc2)no1 ZINC000581780902 869963603 /nfs/dbraw/zinc/96/36/03/869963603.db2.gz NDGFQAIAESCNPY-FQEVSTJZSA-N 1 1 379.460 3.845 50 0 GHAAMO Cc1cc(C(=O)N2CCC([N@H+]3CC4(CCCC4)[C@@H]3c3ccccc3)CC2)n(C)n1 ZINC000581802489 870001874 /nfs/dbraw/zinc/00/18/74/870001874.db2.gz KOMZJYLBZYLRFC-QFIPXVFZSA-N 1 1 392.547 3.950 50 0 GHAAMO CN(C(=O)c1ccc(NCc2cccc3[nH]ccc32)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000789888940 871276090 /nfs/dbraw/zinc/27/60/90/871276090.db2.gz DWISYKJRLWHQRW-FQEVSTJZSA-N 1 1 376.504 3.946 50 0 GHAAMO CC(=O)CCC(=O)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000200586212 876915868 /nfs/dbraw/zinc/91/58/68/876915868.db2.gz YETXXBBQVVXKAH-NRFANRHFSA-N 1 1 385.552 3.824 50 0 GHAAMO Cn1cc(C[N@H+](C)Cc2ccc(OC[C@@H]3CCCO3)cc2)c(C(F)(F)F)n1 ZINC000093989145 912549978 /nfs/dbraw/zinc/54/99/78/912549978.db2.gz GGJIPDBFEHFIKK-KRWDZBQOSA-N 1 1 383.414 3.629 50 0 GHAAMO Cn1cc(C[N@@H+](C)Cc2ccc(OC[C@@H]3CCCO3)cc2)c(C(F)(F)F)n1 ZINC000093989145 912550000 /nfs/dbraw/zinc/55/00/00/912550000.db2.gz GGJIPDBFEHFIKK-KRWDZBQOSA-N 1 1 383.414 3.629 50 0 GHAAMO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000585084475 897126809 /nfs/dbraw/zinc/12/68/09/897126809.db2.gz UCDCGQLDSDGNHR-SFHVURJKSA-N 1 1 384.480 3.758 50 0 GHAAMO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H](CN3CCN(C)CC3)C2)cc1 ZINC000952869666 904634309 /nfs/dbraw/zinc/63/43/09/904634309.db2.gz XYNLHXWXFHWIHB-QHCPKHFHSA-N 1 1 392.591 3.914 50 0 GHAAMO CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@@H](CN3CCN(C)CC3)C2)cc1 ZINC000952869666 904634318 /nfs/dbraw/zinc/63/43/18/904634318.db2.gz XYNLHXWXFHWIHB-QHCPKHFHSA-N 1 1 392.591 3.914 50 0 GHAAMO COc1ccc(-c2cccc(C(=O)N3CC[N@@H+](CC(C)C)[C@H](CCO)C3)c2)cc1 ZINC000952873173 904635428 /nfs/dbraw/zinc/63/54/28/904635428.db2.gz WKVFTJVFCBBXPJ-JOCHJYFZSA-N 1 1 396.531 3.527 50 0 GHAAMO C[C@H](O)c1nc2ccc(NC(=O)CC3CC[NH+](Cc4ccccc4)CC3)cc2[nH]1 ZINC000952969617 904647336 /nfs/dbraw/zinc/64/73/36/904647336.db2.gz FRUMHKFCXGVRIW-INIZCTEOSA-N 1 1 392.503 3.857 50 0 GHAAMO COc1cc2c(cc1CNC1CC[NH+](Cc3cccs3)CC1)OCCCO2 ZINC000952969449 904647468 /nfs/dbraw/zinc/64/74/68/904647468.db2.gz NOCAFCCTMXCRHI-UHFFFAOYSA-N 1 1 388.533 3.672 50 0 GHAAMO Cc1c(C(=O)NC[C@@H]2CCCN(c3cc[nH+]c4cc(Cl)ccc43)C2)cnn1C ZINC000952977869 904657856 /nfs/dbraw/zinc/65/78/56/904657856.db2.gz RMXIHDFCRMQAPW-HNNXBMFYSA-N 1 1 397.910 3.577 50 0 GHAAMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@]2(c3ccc(F)cc3)CC2(C)C)cc1 ZINC000952981997 904667207 /nfs/dbraw/zinc/66/72/07/904667207.db2.gz KVYPMSUYYXMFRK-JOCHJYFZSA-N 1 1 383.467 3.632 50 0 GHAAMO COc1ccc(C[N@@H+](C)Cc2ccc3nsnc3c2)cc1C[NH+]1CCCC1 ZINC000952982814 904668593 /nfs/dbraw/zinc/66/85/93/904668593.db2.gz MQNKOBVDRCXNSQ-UHFFFAOYSA-N 1 1 382.533 3.928 50 0 GHAAMO COc1ccc(CN(C)Cc2ccc3nsnc3c2)cc1C[NH+]1CCCC1 ZINC000952982814 904668601 /nfs/dbraw/zinc/66/86/01/904668601.db2.gz MQNKOBVDRCXNSQ-UHFFFAOYSA-N 1 1 382.533 3.928 50 0 GHAAMO Cc1ccc(-n2cccn2)cc1NC(=O)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000191307428 906865445 /nfs/dbraw/zinc/86/54/45/906865445.db2.gz IKGIUVWTLWSAJC-UHFFFAOYSA-N 1 1 396.882 3.583 50 0 GHAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cccc3c2OCO3)C1)NCc1ccccc1F ZINC000015065227 919357240 /nfs/dbraw/zinc/35/72/40/919357240.db2.gz QYYRGRLKTBSSGK-QGZVFWFLSA-N 1 1 398.478 3.863 50 0 GHAAMO COc1ccccc1CC(=O)N1CCC[C@@H]2C[N@@H+](CCc3ccccc3)CC[C@@H]21 ZINC000015072809 919360168 /nfs/dbraw/zinc/36/01/68/919360168.db2.gz CITYAIWVYFXLHI-PKTZIBPZSA-N 1 1 392.543 3.793 50 0 GHAAMO CSc1ccc(C[N@@H+]2CCc3nnc(CCc4ccccc4)n3CC2)cc1 ZINC000019839022 919598572 /nfs/dbraw/zinc/59/85/72/919598572.db2.gz IGXIRDRWQLBUEH-UHFFFAOYSA-N 1 1 378.545 3.844 50 0 GHAAMO Cc1cc(-c2ccc(O)c(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c2ccccc2n1 ZINC000067840560 926360174 /nfs/dbraw/zinc/36/01/74/926360174.db2.gz KOMLQFOWMYPVKY-QGZVFWFLSA-N 1 1 375.472 3.613 50 0 GHAAMO COC(=O)CC1CC[NH+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000328591029 206229882 /nfs/dbraw/zinc/22/98/82/206229882.db2.gz QDCPTLMLTSFXIU-NRFANRHFSA-N 1 1 384.451 3.781 50 0 GHAAMO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H](NCc4nnc5ccccn54)[C@H]3C2)cc1 ZINC000328595623 206230431 /nfs/dbraw/zinc/23/04/31/206230431.db2.gz ZIKRWOATQVXIDA-PCCBWWKXSA-N 1 1 375.520 3.510 50 0 GHAAMO Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)o1 ZINC000222102139 206258465 /nfs/dbraw/zinc/25/84/65/206258465.db2.gz JTYLGRGAFTWYAT-QWHCGFSZSA-N 1 1 393.285 3.552 50 0 GHAAMO Cc1cnc([C@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)o1 ZINC000222102139 206258468 /nfs/dbraw/zinc/25/84/68/206258468.db2.gz JTYLGRGAFTWYAT-QWHCGFSZSA-N 1 1 393.285 3.552 50 0 GHAAMO COc1ccccc1N1CC[NH+](Cc2cc(=O)oc3cc(C)cc(C)c23)CC1 ZINC000054147581 206279021 /nfs/dbraw/zinc/27/90/21/206279021.db2.gz JINHJQCLFRAFQM-UHFFFAOYSA-N 1 1 378.472 3.741 50 0 GHAAMO COCCn1ccc2c1cccc2C(=O)N(C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253414051 206283038 /nfs/dbraw/zinc/28/30/38/206283038.db2.gz WIDBSHFIOQNDAM-GHTZIAJQSA-N 1 1 383.536 3.624 50 0 biogenic GHAAMO CCCC[N@@H+](CC)CCCNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000006939652 206695727 /nfs/dbraw/zinc/69/57/27/206695727.db2.gz VFOUJBAZWDFXPK-UHFFFAOYSA-N 1 1 393.535 3.905 50 0 GHAAMO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000010088700 206807263 /nfs/dbraw/zinc/80/72/63/206807263.db2.gz LCDSUUFVYAPMRI-LJQANCHMSA-N 1 1 385.895 3.574 50 0 GHAAMO CCCC[N@@H+](Cc1ccccc1)[C@H]1CCc2c(c(C(=O)N3CCCC3)nn2C)C1 ZINC000014748850 207029279 /nfs/dbraw/zinc/02/92/79/207029279.db2.gz CTUSDMXXYXMXIS-FQEVSTJZSA-N 1 1 394.563 3.816 50 0 GHAAMO Cc1cc(C)nc(S[C@H]2C[C@@H](C(=O)NC(C)C)[N@H+](CC3CCCCC3)C2)n1 ZINC000014880105 207031171 /nfs/dbraw/zinc/03/11/71/207031171.db2.gz DWFHBYDGAWXWGB-OALUTQOASA-N 1 1 390.597 3.733 50 0 GHAAMO OC[C@]1(Cc2ccccc2F)CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000014965012 207034448 /nfs/dbraw/zinc/03/44/48/207034448.db2.gz FHVMLAHLRFNEAZ-QHCPKHFHSA-N 1 1 379.479 3.829 50 0 GHAAMO CSCC(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000014972548 207037792 /nfs/dbraw/zinc/03/77/92/207037792.db2.gz SOKQVKLJIABVFM-INIZCTEOSA-N 1 1 388.499 3.781 50 0 GHAAMO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(F)c(OC)c3)C2)cc1OC ZINC000015066163 207043014 /nfs/dbraw/zinc/04/30/14/207043014.db2.gz APDBBTVILXDOJF-KRWDZBQOSA-N 1 1 387.451 3.946 50 0 GHAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)c(OC)c3)C2)cc1OC ZINC000015066163 207043016 /nfs/dbraw/zinc/04/30/16/207043016.db2.gz APDBBTVILXDOJF-KRWDZBQOSA-N 1 1 387.451 3.946 50 0 GHAAMO CC[C@H]1C[N@H+](CCNC(=O)/C=C/c2cccs2)Cc2cc(OC)ccc2O1 ZINC000015070237 207044670 /nfs/dbraw/zinc/04/46/70/207044670.db2.gz OLENQRBTGPRNBM-LKUPDRCFSA-N 1 1 386.517 3.559 50 0 GHAAMO CC[C@H]1C[N@@H+](CCNC(=O)/C=C/c2cccs2)Cc2cc(OC)ccc2O1 ZINC000015070237 207044675 /nfs/dbraw/zinc/04/46/75/207044675.db2.gz OLENQRBTGPRNBM-LKUPDRCFSA-N 1 1 386.517 3.559 50 0 GHAAMO CCOC(=O)c1c(C)oc2nc(C)nc(NCC[N@@H+](C)Cc3ccccc3)c21 ZINC000015727429 207056806 /nfs/dbraw/zinc/05/68/06/207056806.db2.gz YOOMSVYFGSUWEA-UHFFFAOYSA-N 1 1 382.464 3.560 50 0 GHAAMO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000015350357 207049128 /nfs/dbraw/zinc/04/91/28/207049128.db2.gz SEOZXBYPFJRBGM-PZJWPPBQSA-N 1 1 380.488 3.950 50 0 GHAAMO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000015350357 207049134 /nfs/dbraw/zinc/04/91/34/207049134.db2.gz SEOZXBYPFJRBGM-PZJWPPBQSA-N 1 1 380.488 3.950 50 0 GHAAMO Cc1ccc(C(C)C)c(OCC(=O)N2CCCC[C@@H]2CC[NH+]2CCOCC2)c1 ZINC000015831591 207063355 /nfs/dbraw/zinc/06/33/55/207063355.db2.gz DXLJWCVNDYBJDS-HXUWFJFHSA-N 1 1 388.552 3.601 50 0 GHAAMO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@H](c1ccc(F)cc1)C(C)C)[nH]c2=O ZINC000016695642 207077584 /nfs/dbraw/zinc/07/75/84/207077584.db2.gz YCSCBEYVTRFIPX-IBGZPJMESA-N 1 1 383.423 3.748 50 0 GHAAMO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@@H](c1ccc(F)cc1)C(C)C)[nH]c2=O ZINC000016695643 207077817 /nfs/dbraw/zinc/07/78/17/207077817.db2.gz YCSCBEYVTRFIPX-LJQANCHMSA-N 1 1 383.423 3.748 50 0 GHAAMO O=C1C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000018284791 207098369 /nfs/dbraw/zinc/09/83/69/207098369.db2.gz MFLGPEHUHUIOBB-FQEVSTJZSA-N 1 1 382.891 3.927 50 0 GHAAMO Cc1c2cc(C)ccc2[nH]c1C[N@@H+]1CCN(Cc2ccc(F)cc2)[C@@H](CCO)C1 ZINC000019229312 207108614 /nfs/dbraw/zinc/10/86/14/207108614.db2.gz BJNLURHYUFHSDN-NRFANRHFSA-N 1 1 395.522 3.993 50 0 GHAAMO Cc1c2cc(C)ccc2[nH]c1C[N@H+]1CCN(Cc2ccc(F)cc2)[C@@H](CCO)C1 ZINC000019229312 207108617 /nfs/dbraw/zinc/10/86/17/207108617.db2.gz BJNLURHYUFHSDN-NRFANRHFSA-N 1 1 395.522 3.993 50 0 GHAAMO CCCn1ncc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)c1C ZINC000019795119 207162174 /nfs/dbraw/zinc/16/21/74/207162174.db2.gz DORXAIHCVNMGSK-OAQYLSRUSA-N 1 1 399.558 3.527 50 0 GHAAMO CCCn1ncc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)C2)c1C ZINC000019795119 207162178 /nfs/dbraw/zinc/16/21/78/207162178.db2.gz DORXAIHCVNMGSK-OAQYLSRUSA-N 1 1 399.558 3.527 50 0 GHAAMO O=C(c1nc2sccn2c1C[NH2+]Cc1ccc(Cl)s1)N1CCCC1 ZINC000020255670 207187310 /nfs/dbraw/zinc/18/73/10/207187310.db2.gz SNYBSRLLYWAJAG-UHFFFAOYSA-N 1 1 380.926 3.637 50 0 GHAAMO CC(C)c1nc2oc3c(ncnc3NCCC[NH+]3CCOCC3)c2c2c1CCC2 ZINC000020533256 207201680 /nfs/dbraw/zinc/20/16/80/207201680.db2.gz CZOIHDROCMLRDB-UHFFFAOYSA-N 1 1 395.507 3.517 50 0 GHAAMO CCNC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2cnc(-c3ccco3)nc2)s1 ZINC000020783674 207215695 /nfs/dbraw/zinc/21/56/95/207215695.db2.gz BRRAWPFBTAOZDS-OAHLLOKOSA-N 1 1 382.489 3.885 50 0 GHAAMO CCNC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2cnc(-c3ccco3)nc2)s1 ZINC000020783674 207215699 /nfs/dbraw/zinc/21/56/99/207215699.db2.gz BRRAWPFBTAOZDS-OAHLLOKOSA-N 1 1 382.489 3.885 50 0 GHAAMO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@@H+](Cc4cccc(O)c4)C3)C2=O)c1 ZINC000012002100 207210318 /nfs/dbraw/zinc/21/03/18/207210318.db2.gz HJIPVFIAHCZHLP-QHCPKHFHSA-N 1 1 398.478 3.555 50 0 GHAAMO CC(C)Cn1cc(NC(=O)NCCC[N@H+]2CCC[C@H](C)C2)c2ccccc2c1=O ZINC000020941475 207220975 /nfs/dbraw/zinc/22/09/75/207220975.db2.gz MYCWTIPHPQORDR-SFHVURJKSA-N 1 1 398.551 3.901 50 0 GHAAMO COc1cc2c(cc1OC)[C@H](Cc1cc(OC)c(OC)c(OC)c1)[N@@H+](C)CC2 ZINC000022062308 207246111 /nfs/dbraw/zinc/24/61/11/207246111.db2.gz ALQIPWOCCJXSKZ-KRWDZBQOSA-N 1 1 387.476 3.501 50 0 in-vitro GHAAMO OCC[C@H]1CN(C/C(Cl)=C/c2ccccc2)CC[N@H+]1CCc1ccccc1 ZINC000023375418 207277016 /nfs/dbraw/zinc/27/70/16/207277016.db2.gz MOCVREGKKOJSTF-RJYQMNAMSA-N 1 1 384.951 3.878 50 0 GHAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(CCc3ccccc3)C2)cc1OC ZINC000022919942 207266322 /nfs/dbraw/zinc/26/63/22/207266322.db2.gz QCFLFSFXOOEWED-JOCHJYFZSA-N 1 1 382.548 3.885 50 0 GHAAMO COc1ccc(CCN(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1OC ZINC000022919942 207266326 /nfs/dbraw/zinc/26/63/26/207266326.db2.gz QCFLFSFXOOEWED-JOCHJYFZSA-N 1 1 382.548 3.885 50 0 GHAAMO COc1ccc(CCN(C)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1OC ZINC000022919942 207266329 /nfs/dbraw/zinc/26/63/29/207266329.db2.gz QCFLFSFXOOEWED-JOCHJYFZSA-N 1 1 382.548 3.885 50 0 GHAAMO Cc1ncc(C[N@@H+]2CCC[C@H]2c2ccc(C(=O)N3CCCOCC3)s2)s1 ZINC000023478226 207278273 /nfs/dbraw/zinc/27/82/73/207278273.db2.gz IGHQCHXNKIHWKB-INIZCTEOSA-N 1 1 391.562 3.713 50 0 GHAAMO Cc1ncc(C[N@H+]2CCC[C@H]2c2ccc(C(=O)N3CCCOCC3)s2)s1 ZINC000023478226 207278277 /nfs/dbraw/zinc/27/82/77/207278277.db2.gz IGHQCHXNKIHWKB-INIZCTEOSA-N 1 1 391.562 3.713 50 0 GHAAMO COc1cccc(C[N@H+](C)CC(=O)Nc2cc(C)nn2-c2cc(C)ccc2C)c1 ZINC000024984389 207298732 /nfs/dbraw/zinc/29/87/32/207298732.db2.gz UUWPLMVUTRKTGA-UHFFFAOYSA-N 1 1 392.503 3.877 50 0 GHAAMO COc1cccc(C[N@@H+](C)CC(=O)Nc2cc(C)nn2-c2cc(C)ccc2C)c1 ZINC000024984389 207298738 /nfs/dbraw/zinc/29/87/38/207298738.db2.gz UUWPLMVUTRKTGA-UHFFFAOYSA-N 1 1 392.503 3.877 50 0 GHAAMO O=C([C@@H]1Cc2ccccc2O1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000024148590 207288821 /nfs/dbraw/zinc/28/88/21/207288821.db2.gz XGNLKLOMUVZFQG-DEOSSOPVSA-N 1 1 398.506 3.924 50 0 GHAAMO Cc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCC1)n2C ZINC000026120941 207309734 /nfs/dbraw/zinc/30/97/34/207309734.db2.gz XYIHPHTWLSWWOS-UHFFFAOYSA-N 1 1 392.503 3.885 50 0 GHAAMO CC(C)c1ccc(CN(C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000025139692 207301888 /nfs/dbraw/zinc/30/18/88/207301888.db2.gz DEBAINDATUMXRQ-UHFFFAOYSA-N 1 1 395.547 3.984 50 0 GHAAMO C[N@@H+](CCOc1ccccc1F)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027296643 207323543 /nfs/dbraw/zinc/32/35/43/207323543.db2.gz ZDAZYSIFYYONLY-UHFFFAOYSA-N 1 1 384.373 3.629 50 0 GHAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000026474921 207314226 /nfs/dbraw/zinc/31/42/26/207314226.db2.gz GNIFHUYKVIWZDL-HSZRJFAPSA-N 1 1 389.499 3.898 50 0 GHAAMO Cc1cc(O[C@H](C)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)ccc1Cl ZINC000027992491 207332813 /nfs/dbraw/zinc/33/28/13/207332813.db2.gz LETNZFLEMRHWAW-QGZVFWFLSA-N 1 1 394.943 3.567 50 0 GHAAMO COc1ccccc1[C@@H](CNC(=O)COc1cc(C)c(Cl)c(C)c1)[NH+](C)C ZINC000027989924 207333959 /nfs/dbraw/zinc/33/39/59/207333959.db2.gz MCADGRRTDDTVKF-GOSISDBHSA-N 1 1 390.911 3.763 50 0 GHAAMO CN1CC[NH+](Cc2ccccc2CNC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000040089770 207337829 /nfs/dbraw/zinc/33/78/29/207337829.db2.gz VJRAMLJRWQLOGH-UHFFFAOYSA-N 1 1 392.330 3.671 50 0 GHAAMO Cc1ccc(C)c(NC(=S)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000040073263 207338265 /nfs/dbraw/zinc/33/82/65/207338265.db2.gz YNIOJOATJLLIMC-JOCHJYFZSA-N 1 1 396.604 3.969 50 0 GHAAMO Cc1ccc(C)c(NC(=S)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000040073263 207338269 /nfs/dbraw/zinc/33/82/69/207338269.db2.gz YNIOJOATJLLIMC-JOCHJYFZSA-N 1 1 396.604 3.969 50 0 GHAAMO Cc1ccc(C)c(NC(=S)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000040073263 207338273 /nfs/dbraw/zinc/33/82/73/207338273.db2.gz YNIOJOATJLLIMC-JOCHJYFZSA-N 1 1 396.604 3.969 50 0 GHAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C[C@@H](C)c2ccccc2)CC1 ZINC000040107968 207341428 /nfs/dbraw/zinc/34/14/28/207341428.db2.gz LBBPQOBGENWNJG-HXUWFJFHSA-N 1 1 379.548 3.634 50 0 GHAAMO Cc1ccc(CCC2CC[NH+](CC(=O)N3CC(=O)Nc4ccccc43)CC2)cc1 ZINC000029168257 207358076 /nfs/dbraw/zinc/35/80/76/207358076.db2.gz IMQOASBABROSIL-UHFFFAOYSA-N 1 1 391.515 3.625 50 0 GHAAMO Cc1noc(-c2ccc(C(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C)cc2)n1 ZINC000029873225 207366840 /nfs/dbraw/zinc/36/68/40/207366840.db2.gz BDVAPKUONYFBAV-GOSISDBHSA-N 1 1 384.867 3.731 50 0 GHAAMO COc1ccc(-n2cc(C[N@@H+](CCO)C(C)C)c(-c3cccc(F)c3)n2)cc1 ZINC000072421235 208019257 /nfs/dbraw/zinc/01/92/57/208019257.db2.gz ZRMITFMIMHXKNJ-UHFFFAOYSA-N 1 1 383.467 3.890 50 0 GHAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)C[C@@H](C)O)cc1F ZINC000072418653 208020130 /nfs/dbraw/zinc/02/01/30/208020130.db2.gz UBLRUEUQBIMNKU-MRXNPFEDSA-N 1 1 383.467 3.808 50 0 GHAAMO CC(C)Oc1ccc2c(NC(=O)[C@@H]3CCC[N@@H+](C)C3)nn(CC(F)(F)F)c2c1 ZINC000072432655 208025929 /nfs/dbraw/zinc/02/59/29/208025929.db2.gz SABFEWJPCZQJHL-CYBMUJFWSA-N 1 1 398.429 3.666 50 0 GHAAMO CN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@H]2Nc1nc(N)cc[nH+]1 ZINC000091624994 208127175 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O=C(CCc1cccc(Cl)c1Cl)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000047851422 570215853 /nfs/dbraw/zinc/21/58/53/570215853.db2.gz BADKZUKQIIDYEV-MRXNPFEDSA-N 1 1 385.335 3.639 50 0 GHAAMO O=C(c1ccc(NC2CC2)nc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000048299280 570233776 /nfs/dbraw/zinc/23/37/76/570233776.db2.gz NSSIWXQAKZVFDY-UHFFFAOYSA-N 1 1 386.499 3.767 50 0 GHAAMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 ZINC000035283893 570281229 /nfs/dbraw/zinc/28/12/29/570281229.db2.gz OWMPMAFYNXWCHK-MOPGFXCFSA-N 1 1 379.504 3.981 50 0 GHAAMO Cc1c2cc(F)ccc2n(C)c1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000215092279 570285606 /nfs/dbraw/zinc/28/56/06/570285606.db2.gz LUCYMVJUXYWOIU-INIZCTEOSA-N 1 1 383.467 3.861 50 0 GHAAMO COc1ccc(C(=O)NC[C@@H](c2cccn2C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000021151421 570292149 /nfs/dbraw/zinc/29/21/49/570292149.db2.gz QAFOHXAZCCRXEE-QHCPKHFHSA-N 1 1 389.499 3.563 50 0 GHAAMO COc1ccc(C(=O)NC[C@@H](c2cccn2C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000021151421 570292151 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ZINC000054106032 206278028 /nfs/dbraw/zinc/27/80/28/206278028.db2.gz RSJYTOHLANCOTQ-UHFFFAOYSA-N 1 1 384.863 3.783 50 0 biogenic GHAAMO CNc1cc(OC)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1Cl ZINC000000586739 206308656 /nfs/dbraw/zinc/30/86/56/206308656.db2.gz KRVOJOCLBAAKSJ-KSSFIOAISA-N 1 1 387.911 3.783 50 0 in-vitro GHAAMO COc1ccccc1C(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCC1)n2C ZINC000004593353 206532815 /nfs/dbraw/zinc/53/28/15/206532815.db2.gz ZCZFXIRPUNLGSL-UHFFFAOYSA-N 1 1 378.476 3.820 50 0 GHAAMO CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CC[N@@H+](CCc1ccccc1)C2 ZINC000014542805 207023408 /nfs/dbraw/zinc/02/34/08/207023408.db2.gz XPGKILSCZAPMLW-UHFFFAOYSA-N 1 1 394.563 3.812 50 0 GHAAMO COc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)cc1 ZINC000014949821 207032692 /nfs/dbraw/zinc/03/26/92/207032692.db2.gz GJEZIOXLAJQMOD-HSZRJFAPSA-N 1 1 382.479 3.963 50 0 GHAAMO O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3cccc(F)c3F)[N@H+]3CCC[C@@]123 ZINC000015074745 207046447 /nfs/dbraw/zinc/04/64/47/207046447.db2.gz IBGDSFHKIKIBME-JBUDQFAYSA-N 1 1 394.465 3.870 50 0 GHAAMO O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3cccc(F)c3F)[N@@H+]3CCC[C@@]123 ZINC000015074745 207046449 /nfs/dbraw/zinc/04/64/49/207046449.db2.gz IBGDSFHKIKIBME-JBUDQFAYSA-N 1 1 394.465 3.870 50 0 GHAAMO COC(=O)c1ccc(-c2nc(C[N@@H+](CC3CC3)C[C@@H]3CCCO3)c(C)o2)cc1 ZINC000015077615 207047183 /nfs/dbraw/zinc/04/71/83/207047183.db2.gz PFUXOLBJGNOJDW-IBGZPJMESA-N 1 1 384.476 3.828 50 0 GHAAMO COCC[NH+]1CCC(CN(Cc2ccncc2)Cc2cc(F)cc(F)c2)CC1 ZINC000015065284 207041817 /nfs/dbraw/zinc/04/18/17/207041817.db2.gz OTCHWWGBSOSFMP-UHFFFAOYSA-N 1 1 389.490 3.720 50 0 GHAAMO Cc1[nH+]ccn1CCC(=O)NCc1cccnc1Oc1ccc(C)c(F)c1F ZINC000015073954 207044270 /nfs/dbraw/zinc/04/42/70/207044270.db2.gz CJAPKPSCXCICGI-UHFFFAOYSA-N 1 1 386.402 3.672 50 0 GHAAMO CC(C)c1ccccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000015543872 207053709 /nfs/dbraw/zinc/05/37/09/207053709.db2.gz POHPXGWWIXIKKR-UHFFFAOYSA-N 1 1 385.552 3.863 50 0 GHAAMO COc1ccc(CN(C)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c(OC)c1OC ZINC000019782349 207161667 /nfs/dbraw/zinc/16/16/67/207161667.db2.gz ZGBTZEJLNIUSMI-OAQYLSRUSA-N 1 1 398.547 3.851 50 0 GHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1noc2c1COc1ccc(C)cc1-2 ZINC000020509893 207198662 /nfs/dbraw/zinc/19/86/62/207198662.db2.gz FTHJFNSOQURAMD-MRXNPFEDSA-N 1 1 383.492 3.927 50 0 GHAAMO Cc1ccc(SCc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)cc1 ZINC000020529919 207201750 /nfs/dbraw/zinc/20/17/50/207201750.db2.gz WJTPHLHKIGMZDO-UHFFFAOYSA-N 1 1 384.545 3.739 50 0 GHAAMO COc1ccc(F)c(CN2CCC[C@]3(CC[N@@H+](Cc4cccc(O)c4)C3)C2=O)c1 ZINC000012002107 207210761 /nfs/dbraw/zinc/21/07/61/207210761.db2.gz HJIPVFIAHCZHLP-HSZRJFAPSA-N 1 1 398.478 3.555 50 0 GHAAMO COc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)C[NH+]3CCCC3)n2)cc1 ZINC000021659325 207233752 /nfs/dbraw/zinc/23/37/52/207233752.db2.gz UCQHMLWUYXSWPX-UHFFFAOYSA-N 1 1 388.471 3.854 50 0 GHAAMO CCO[C@H](CN1CC[NH+](C[C@@H](C)C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000022033872 207244476 /nfs/dbraw/zinc/24/44/76/207244476.db2.gz BSHWLCACYCVCJE-NFBKMPQASA-N 1 1 380.532 3.901 50 0 world GHAAMO O=C1c2cccc3cccc(c23)N1CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000022777265 207261489 /nfs/dbraw/zinc/26/14/89/207261489.db2.gz OJYVIBZQERMZRP-UHFFFAOYSA-N 1 1 399.494 3.510 50 0 GHAAMO CC(C)c1ccc(NC(=S)N2CCCC[C@H]2CC[NH+]2CCN(C)CC2)cc1 ZINC000022935544 207265561 /nfs/dbraw/zinc/26/55/61/207265561.db2.gz CPHGHYSIZGJMIL-NRFANRHFSA-N 1 1 388.625 3.999 50 0 GHAAMO Cc1nc(-c2cccc(N3CCC([N@@H+](C)CCn4ccnc4)CC3)c2)cs1 ZINC000023506579 207278411 /nfs/dbraw/zinc/27/84/11/207278411.db2.gz NUHUKSBDIKVZFC-UHFFFAOYSA-N 1 1 381.549 3.916 50 0 GHAAMO CCCn1cc(-c2cc(C(=O)N(C)[C@H]3CC[N@@H+](C)C3)c3cccc(C)c3n2)cn1 ZINC000023544048 207279524 /nfs/dbraw/zinc/27/95/24/207279524.db2.gz SZRGWIDWMJHSPK-SFHVURJKSA-N 1 1 391.519 3.593 50 0 GHAAMO CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[N@@H+](C)C3CCCCCC3)c2c1 ZINC000040024797 207336952 /nfs/dbraw/zinc/33/69/52/207336952.db2.gz UZYBIPZQLYWRDX-UHFFFAOYSA-N 1 1 397.566 3.826 50 0 GHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)NCc2nc3ccccc3s2)CC1 ZINC000029676827 207365076 /nfs/dbraw/zinc/36/50/76/207365076.db2.gz NBRSBGICMDKFLB-UHFFFAOYSA-N 1 1 380.517 3.632 50 0 GHAAMO CCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000029927129 207367979 /nfs/dbraw/zinc/36/79/79/207367979.db2.gz JDGYJMVQEDTKPL-KRWDZBQOSA-N 1 1 381.520 3.795 50 0 GHAAMO C[NH+](C)Cc1nc2ccccc2c(SCC(=O)Nc2ccc(F)c(F)c2)n1 ZINC000031619238 207384203 /nfs/dbraw/zinc/38/42/03/207384203.db2.gz SPANBWRNKZTTHO-UHFFFAOYSA-N 1 1 388.443 3.700 50 0 GHAAMO COc1ccc(C)cc1NC(=O)CSc1nc(C[NH+](C)C)nc2ccccc21 ZINC000031619261 207384830 /nfs/dbraw/zinc/38/48/30/207384830.db2.gz QUESGRYNSLZVJK-UHFFFAOYSA-N 1 1 396.516 3.739 50 0 GHAAMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000035268974 207484837 /nfs/dbraw/zinc/48/48/37/207484837.db2.gz TZCRGFPLWDQCHJ-MSOLQXFVSA-N 1 1 395.503 3.681 50 0 GHAAMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000035268974 207484841 /nfs/dbraw/zinc/48/48/41/207484841.db2.gz TZCRGFPLWDQCHJ-MSOLQXFVSA-N 1 1 395.503 3.681 50 0 GHAAMO O=C(C[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1)N1CCC(F)CC1 ZINC000072409345 208017481 /nfs/dbraw/zinc/01/74/81/208017481.db2.gz KVYURHNHGQYQET-QHCPKHFHSA-N 1 1 396.506 3.905 50 0 GHAAMO O=C(C[C@H]1COCC[N@H+]1Cc1ccc(-c2ccccc2)cc1)N1CCC(F)CC1 ZINC000072409345 208017486 /nfs/dbraw/zinc/01/74/86/208017486.db2.gz KVYURHNHGQYQET-QHCPKHFHSA-N 1 1 396.506 3.905 50 0 GHAAMO COc1ccc(C[N@@H+]2CCOC[C@H]2CC(=O)NCC2=CCCCC2)c(C)c1C ZINC000072419364 208020744 /nfs/dbraw/zinc/02/07/44/208020744.db2.gz JYIIELKSEHOLRA-OAQYLSRUSA-N 1 1 386.536 3.520 50 0 GHAAMO COc1ccc(C[N@H+]2CCOC[C@H]2CC(=O)NCC2=CCCCC2)c(C)c1C ZINC000072419364 208020750 /nfs/dbraw/zinc/02/07/50/208020750.db2.gz JYIIELKSEHOLRA-OAQYLSRUSA-N 1 1 386.536 3.520 50 0 GHAAMO COc1ccc(-c2nc3c(C)cccc3cc2C[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000072458008 208028472 /nfs/dbraw/zinc/02/84/72/208028472.db2.gz GKABDJOACXHYCS-FQEVSTJZSA-N 1 1 375.472 3.669 50 0 GHAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@H](CO)C2)c(F)c1 ZINC000072468675 208029263 /nfs/dbraw/zinc/02/92/63/208029263.db2.gz RXJGPELSCZSBGC-KRWDZBQOSA-N 1 1 395.478 3.891 50 0 GHAAMO O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](Cc1nccs1)CC2 ZINC000077456782 208046042 /nfs/dbraw/zinc/04/60/42/208046042.db2.gz XJTXPXHOBIZLNB-UHFFFAOYSA-N 1 1 375.925 3.811 50 0 GHAAMO Cc1cc(C)nc(Nc2cccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2)n1 ZINC000085879718 208101564 /nfs/dbraw/zinc/10/15/64/208101564.db2.gz DHPJAIAGVCMRQQ-PZJWPPBQSA-N 1 1 393.535 3.831 50 0 biogenic GHAAMO Cc1ccc(-c2nn(-c3ccccc3)cc2CN2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)o1 ZINC000091594653 208126359 /nfs/dbraw/zinc/12/63/59/208126359.db2.gz KITSUKFMJCBKJH-GHTZIAJQSA-N 1 1 376.504 3.967 50 0 GHAAMO COc1ccc(CNC(=O)C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000089442457 208105470 /nfs/dbraw/zinc/10/54/70/208105470.db2.gz ISVYBUQOTDMLMF-UHFFFAOYSA-N 1 1 375.472 3.582 50 0 GHAAMO COc1ccc(CNC(=O)C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000089442457 208105477 /nfs/dbraw/zinc/10/54/77/208105477.db2.gz ISVYBUQOTDMLMF-UHFFFAOYSA-N 1 1 375.472 3.582 50 0 GHAAMO Fc1cccc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)c1F ZINC000095359825 208161675 /nfs/dbraw/zinc/16/16/75/208161675.db2.gz OCHUGSULDDLMNB-JJEOQYAHSA-N 1 1 398.453 3.756 50 0 GHAAMO Fc1cccc(C[N@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)c1F ZINC000095359825 208161681 /nfs/dbraw/zinc/16/16/81/208161681.db2.gz OCHUGSULDDLMNB-JJEOQYAHSA-N 1 1 398.453 3.756 50 0 GHAAMO O=C(CCSc1ccccc1Br)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000095392647 208179270 /nfs/dbraw/zinc/17/92/70/208179270.db2.gz IHSAIAPZOWDHKG-CQSZACIVSA-N 1 1 383.355 3.628 50 0 GHAAMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000095406050 208179682 /nfs/dbraw/zinc/17/96/82/208179682.db2.gz JYLOSAYDLFTCDR-LEWJYISDSA-N 1 1 398.551 3.793 50 0 GHAAMO Cc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c(C)n1C ZINC000095509803 208210166 /nfs/dbraw/zinc/21/01/66/208210166.db2.gz CWEJQYHGJVMDQA-HXUWFJFHSA-N 1 1 385.527 3.808 50 0 GHAAMO Cc1nc2cc(NC(=O)N[C@H]3CCC[N@H+](Cc4cccnc4)C3)ccc2s1 ZINC000095503706 208204916 /nfs/dbraw/zinc/20/49/16/208204916.db2.gz XEUKEJMUEHOVET-KRWDZBQOSA-N 1 1 381.505 3.786 50 0 GHAAMO Cc1nc2cc(NC(=O)N[C@H]3CCC[N@@H+](Cc4cccnc4)C3)ccc2s1 ZINC000095503706 208204921 /nfs/dbraw/zinc/20/49/21/208204921.db2.gz XEUKEJMUEHOVET-KRWDZBQOSA-N 1 1 381.505 3.786 50 0 GHAAMO C[N@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)Cc2nc3ccccc3[nH]2)C1 ZINC000095520932 208220021 /nfs/dbraw/zinc/22/00/21/208220021.db2.gz RMBXYTOBDLUAKQ-FQEVSTJZSA-N 1 1 390.531 3.519 50 0 GHAAMO COc1ccc(C[N@H+](Cc2nc(C)c3ccccc3n2)[C@H](CO)C(C)C)cc1 ZINC000095995484 208251317 /nfs/dbraw/zinc/25/13/17/208251317.db2.gz BLOQAXXVUFQVFV-JOCHJYFZSA-N 1 1 379.504 3.966 50 0 GHAAMO COc1ccc(C[N@@H+](Cc2nc(C)c3ccccc3n2)[C@H](CO)C(C)C)cc1 ZINC000095995484 208251320 /nfs/dbraw/zinc/25/13/20/208251320.db2.gz BLOQAXXVUFQVFV-JOCHJYFZSA-N 1 1 379.504 3.966 50 0 GHAAMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1CCCOc1ccc2c(c1)OCO2 ZINC000060269177 209000391 /nfs/dbraw/zinc/00/03/91/209000391.db2.gz XUIMCABUVCFFTC-INIZCTEOSA-N 1 1 392.496 3.563 50 0 GHAAMO O=C(C[N@H+]1CCC[C@@H]2CCCC[C@H]21)Nc1ccccc1C(=O)NC1CCCC1 ZINC000230003835 209003782 /nfs/dbraw/zinc/00/37/82/209003782.db2.gz RHUHXIQOBMIQAH-LAUBAEHRSA-N 1 1 383.536 3.952 50 0 GHAAMO CCC(=O)c1ccc(OCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000230139584 209006299 /nfs/dbraw/zinc/00/62/99/209006299.db2.gz VHAOXTBGMUNSPU-RXVVDRJESA-N 1 1 394.515 3.827 50 0 GHAAMO COc1cccc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)c1OC ZINC000299794672 209090632 /nfs/dbraw/zinc/09/06/32/209090632.db2.gz LLMLZNAHVWMYOJ-ZCNNSNEGSA-N 1 1 380.488 3.546 50 0 GHAAMO Cc1[nH+]ccn1CC(=O)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1 ZINC000299786741 209089032 /nfs/dbraw/zinc/08/90/32/209089032.db2.gz QFMBXZZEPFSDNF-UHFFFAOYSA-N 1 1 383.883 3.641 50 0 GHAAMO C[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc2ccccc2c1 ZINC000007989195 221021296 /nfs/dbraw/zinc/02/12/96/221021296.db2.gz ZECTYNRCXHXQER-UHFFFAOYSA-N 1 1 387.483 3.803 50 0 GHAAMO C[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc2ccccc2c1 ZINC000007989195 221021297 /nfs/dbraw/zinc/02/12/97/221021297.db2.gz ZECTYNRCXHXQER-UHFFFAOYSA-N 1 1 387.483 3.803 50 0 GHAAMO Cc1[nH]c2c(c1CC(=O)N1CCN(c3[nH+]cccc3C)CC1)c(C)ccc2C ZINC000091547410 136176419 /nfs/dbraw/zinc/17/64/19/136176419.db2.gz DTDVVDMXQSIRRG-UHFFFAOYSA-N 1 1 376.504 3.688 50 0 GHAAMO Cc1ccc(N2CCC(C(=O)N3CCC(OCc4ccccc4)CC3)CC2)[nH+]c1 ZINC000194092857 136202511 /nfs/dbraw/zinc/20/25/11/136202511.db2.gz FNJYACQTJLBWKZ-UHFFFAOYSA-N 1 1 393.531 3.814 50 0 GHAAMO CC(C)[N@H+]1CCCC[C@H]1CCNC(=O)N(C)Cc1cc(-c2cccnc2)no1 ZINC000426705655 529004296 /nfs/dbraw/zinc/00/42/96/529004296.db2.gz IRWRJDSLIMFFLZ-SFHVURJKSA-N 1 1 385.512 3.531 50 0 GHAAMO CC[N@H+]1CCC[C@H](NC(=O)c2cccc(-c3ccc4c(=O)ccoc4c3)c2)C1 ZINC000426404230 529090220 /nfs/dbraw/zinc/09/02/20/529090220.db2.gz JWXYACFQOOOQGL-IBGZPJMESA-N 1 1 376.456 3.674 50 0 GHAAMO Cc1ccc(NC(=O)C[N@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000012796128 570217238 /nfs/dbraw/zinc/21/72/38/570217238.db2.gz OOVPOIZFAOZUHK-UHFFFAOYSA-N 1 1 377.847 3.687 50 0 GHAAMO Cc1ccc(NC(=O)C[N@@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000012796128 570217241 /nfs/dbraw/zinc/21/72/41/570217241.db2.gz OOVPOIZFAOZUHK-UHFFFAOYSA-N 1 1 377.847 3.687 50 0 GHAAMO CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000047946193 570217301 /nfs/dbraw/zinc/21/73/01/570217301.db2.gz BOIQIPQRXFRXPS-LJQANCHMSA-N 1 1 382.464 3.651 50 0 GHAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2OC)C1 ZINC000000752413 570222075 /nfs/dbraw/zinc/22/20/75/570222075.db2.gz DQNLWLDKDLDJMA-AWEZNQCLSA-N 1 1 383.330 3.538 50 0 GHAAMO O=C(CC[N@H+]1CCC[C@H]1c1ccsc1)Nc1ccc(N2CCOCC2)cc1 ZINC000048250736 570226632 /nfs/dbraw/zinc/22/66/32/570226632.db2.gz YKUWNRRMRACEMS-FQEVSTJZSA-N 1 1 385.533 3.750 50 0 GHAAMO NC(=O)c1ccsc1NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000053184323 570226921 /nfs/dbraw/zinc/22/69/21/570226921.db2.gz OLCMQJZUPCJUQG-SFHVURJKSA-N 1 1 399.903 3.818 50 0 GHAAMO C[N@H+](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000072304007 570262579 /nfs/dbraw/zinc/26/25/79/570262579.db2.gz SSWSXUPNNXOYNX-SFTDATJTSA-N 1 1 384.520 3.615 50 0 GHAAMO O=C(C[NH+]1CCC(c2nc(-c3ccc(F)cc3)no2)CC1)Nc1ccccc1 ZINC000049403382 570264439 /nfs/dbraw/zinc/26/44/39/570264439.db2.gz PPTQERQWQVKCFQ-UHFFFAOYSA-N 1 1 380.423 3.694 50 0 GHAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccccc1Cl ZINC000012284503 570281691 /nfs/dbraw/zinc/28/16/91/570281691.db2.gz XTMXYLYLPIFSMT-SJORKVTESA-N 1 1 399.922 3.868 50 0 GHAAMO COCCN(C[C@H]1C[N@@H+](Cc2cccs2)C[C@@H]1c1ccccc1C)C(C)=O ZINC000034740581 570327163 /nfs/dbraw/zinc/32/71/63/570327163.db2.gz UHOPFZAAOHZVJW-KNQAVFIVSA-N 1 1 386.561 3.767 50 0 GHAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)C1CC1)[N@H+](Cc1ccccc1)CC2 ZINC000034855769 570341516 /nfs/dbraw/zinc/34/15/16/570341516.db2.gz KRMUPRMIGCKFPK-MWTRTKDXSA-N 1 1 394.515 3.718 50 0 GHAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)C1CC1)[N@@H+](Cc1ccccc1)CC2 ZINC000034855769 570341517 /nfs/dbraw/zinc/34/15/17/570341517.db2.gz KRMUPRMIGCKFPK-MWTRTKDXSA-N 1 1 394.515 3.718 50 0 GHAAMO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(C(C)C)sc2n1 ZINC000035509788 570381942 /nfs/dbraw/zinc/38/19/42/570381942.db2.gz ARTNDFKLSRBJDW-UHFFFAOYSA-N 1 1 376.913 3.950 50 0 GHAAMO Cc1nc(Nc2ccccn2)cc(NCCNC(=O)Nc2cccc(Cl)c2)[nH+]1 ZINC000090607999 570383663 /nfs/dbraw/zinc/38/36/63/570383663.db2.gz YIIJMXVKMHMUCI-UHFFFAOYSA-N 1 1 397.870 3.811 50 0 GHAAMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000032754493 570394188 /nfs/dbraw/zinc/39/41/88/570394188.db2.gz DAVPGWIQVDRBAZ-OAHLLOKOSA-N 1 1 391.471 3.957 50 0 GHAAMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000032754493 570394190 /nfs/dbraw/zinc/39/41/90/570394190.db2.gz DAVPGWIQVDRBAZ-OAHLLOKOSA-N 1 1 391.471 3.957 50 0 GHAAMO COc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(C(C)=O)cc3)nc2c1 ZINC000005121508 570421452 /nfs/dbraw/zinc/42/14/52/570421452.db2.gz OOODSKOFJGOJAP-UHFFFAOYSA-N 1 1 397.500 3.716 50 0 GHAAMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000241124301 570431151 /nfs/dbraw/zinc/43/11/51/570431151.db2.gz JHBPFXIYYZOJBQ-XLIONFOSSA-N 1 1 380.488 3.814 50 0 GHAAMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000241124301 570431153 /nfs/dbraw/zinc/43/11/53/570431153.db2.gz JHBPFXIYYZOJBQ-XLIONFOSSA-N 1 1 380.488 3.814 50 0 GHAAMO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000242196988 570432175 /nfs/dbraw/zinc/43/21/75/570432175.db2.gz XGSGUGPHXIYIAM-YRNRMSPPSA-N 1 1 398.478 4.000 50 0 GHAAMO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000242196988 570432178 /nfs/dbraw/zinc/43/21/78/570432178.db2.gz XGSGUGPHXIYIAM-YRNRMSPPSA-N 1 1 398.478 4.000 50 0 GHAAMO COCCc1noc(C[N@@H+]2Cc3cc(OC)ccc3C[C@H]2C2CCCCC2)n1 ZINC000444752377 570442395 /nfs/dbraw/zinc/44/23/95/570442395.db2.gz TYNNGKVQQAPJGL-FQEVSTJZSA-N 1 1 385.508 3.774 50 0 GHAAMO COCCc1noc(C[N@H+]2Cc3cc(OC)ccc3C[C@H]2C2CCCCC2)n1 ZINC000444752377 570442398 /nfs/dbraw/zinc/44/23/98/570442398.db2.gz TYNNGKVQQAPJGL-FQEVSTJZSA-N 1 1 385.508 3.774 50 0 GHAAMO CCOC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000248321792 570453039 /nfs/dbraw/zinc/45/30/39/570453039.db2.gz VHEHDALIKARWGC-FPOVZHCZSA-N 1 1 387.451 3.579 50 0 GHAAMO COc1cc(C[N@H+]2CCCCC[C@H]2c2cccc(C)c2)ccc1OCC(N)=O ZINC000033087207 570519572 /nfs/dbraw/zinc/51/95/72/570519572.db2.gz MRJDHVMSVZASPO-FQEVSTJZSA-N 1 1 382.504 3.985 50 0 GHAAMO COc1ccc(C[N@@H+](CC(C)C)C[C@H](O)COCc2ccccc2)cc1OC ZINC000036095608 570534866 /nfs/dbraw/zinc/53/48/66/570534866.db2.gz VMEAJYVCSANEFP-NRFANRHFSA-N 1 1 387.520 3.740 50 0 GHAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104119 570540779 /nfs/dbraw/zinc/54/07/79/570540779.db2.gz PUKZNQVXFFUGSE-IBGZPJMESA-N 1 1 377.431 3.671 50 0 GHAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104119 570540782 /nfs/dbraw/zinc/54/07/82/570540782.db2.gz PUKZNQVXFFUGSE-IBGZPJMESA-N 1 1 377.431 3.671 50 0 GHAAMO CCOC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@H]1c1cccc(OC)c1OC ZINC000009111525 570549677 /nfs/dbraw/zinc/54/96/77/570549677.db2.gz QRWLYUYVMALVOW-IBGZPJMESA-N 1 1 393.443 3.884 50 0 GHAAMO COc1cccc(C[N@@H+]2CC=C(C(=O)NCc3ccc(SC)cc3)CC2)c1 ZINC000064818016 570553655 /nfs/dbraw/zinc/55/36/55/570553655.db2.gz MGAQBFNAWJRUKN-UHFFFAOYSA-N 1 1 382.529 3.866 50 0 GHAAMO NC(=O)c1ccc(CN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000022830774 570554474 /nfs/dbraw/zinc/55/44/74/570554474.db2.gz BSZPDYCRVYWUKY-UHFFFAOYSA-N 1 1 391.437 3.512 50 0 GHAAMO NC(=O)c1ccc(C[N@@H+]2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000022830774 570554477 /nfs/dbraw/zinc/55/44/77/570554477.db2.gz BSZPDYCRVYWUKY-UHFFFAOYSA-N 1 1 391.437 3.512 50 0 GHAAMO NC(=O)c1ccc(C[N@H+]2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000022830774 570554480 /nfs/dbraw/zinc/55/44/80/570554480.db2.gz BSZPDYCRVYWUKY-UHFFFAOYSA-N 1 1 391.437 3.512 50 0 GHAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Br)c2)N3)C1 ZINC000006732669 570557310 /nfs/dbraw/zinc/55/73/10/570557310.db2.gz SECUJRDOEQFHJM-CQSZACIVSA-N 1 1 378.295 3.927 50 0 GHAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Br)c2)N3)C1 ZINC000006732669 570557314 /nfs/dbraw/zinc/55/73/14/570557314.db2.gz SECUJRDOEQFHJM-CQSZACIVSA-N 1 1 378.295 3.927 50 0 GHAAMO Cc1oc(-c2cccs2)nc1CN1CC[N@H+](CCC(C)C)[C@H](CCO)C1 ZINC000038149367 570578694 /nfs/dbraw/zinc/57/86/94/570578694.db2.gz GSOQTFCHZNBHNZ-QGZVFWFLSA-N 1 1 377.554 3.626 50 0 GHAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)Cc2cccc(C)c2)C1 ZINC000011754068 570581353 /nfs/dbraw/zinc/58/13/53/570581353.db2.gz OBDYWWAOJKYVIW-QFIPXVFZSA-N 1 1 394.559 3.959 50 0 GHAAMO Cc1[nH+]ccn1-c1ccccc1CNc1cc(-c2ccccc2)nc2ncnn21 ZINC000225534601 570584999 /nfs/dbraw/zinc/58/49/99/570584999.db2.gz DOQDKDFBNZWOBP-UHFFFAOYSA-N 1 1 381.443 3.898 50 0 GHAAMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)CCc4cn[nH]c4)C3)C2)cc1 ZINC000011879970 570591387 /nfs/dbraw/zinc/59/13/87/570591387.db2.gz AVKPSIXRPPSMBX-DEOSSOPVSA-N 1 1 394.563 3.980 50 0 GHAAMO O=C(N[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)c1ccc2scnc2c1 ZINC000011933377 570592944 /nfs/dbraw/zinc/59/29/44/570592944.db2.gz ANJFQOLMJZOLIF-SFHVURJKSA-N 1 1 377.513 3.658 50 0 GHAAMO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2cnn(C(C)C)c2)C1 ZINC000011947005 570595445 /nfs/dbraw/zinc/59/54/45/570595445.db2.gz TXZRZMNDWSHJAA-QHCPKHFHSA-N 1 1 399.535 3.861 50 0 GHAAMO COc1ccccc1CC(=O)N(CCc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000012058409 570603517 /nfs/dbraw/zinc/60/35/17/570603517.db2.gz ANWRLMSVAFFDCA-NRFANRHFSA-N 1 1 380.532 3.651 50 0 GHAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccn2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000012448131 570667355 /nfs/dbraw/zinc/66/73/55/570667355.db2.gz CFRSNVHDHJNLPR-KRWDZBQOSA-N 1 1 383.923 3.795 50 0 GHAAMO Cc1nc(CC(C)C)cc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1 ZINC000012456988 570669012 /nfs/dbraw/zinc/66/90/12/570669012.db2.gz GNNFUYBRRBLCFQ-OAQYLSRUSA-N 1 1 380.536 3.720 50 0 GHAAMO Cc1nc(C)c(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)s1 ZINC000012456322 570669200 /nfs/dbraw/zinc/66/92/00/570669200.db2.gz YAZNXYFQCAZCJU-GOSISDBHSA-N 1 1 389.540 3.926 50 0 GHAAMO Cc1ccc(C)c(CN2CCOc3ccc(C[NH+]4CCC(O)CC4)cc3C2)c1 ZINC000055042546 570680057 /nfs/dbraw/zinc/68/00/57/570680057.db2.gz NACUANNZFYBNRO-UHFFFAOYSA-N 1 1 380.532 3.655 50 0 GHAAMO CC[N@H+]1CCC[C@](C)(C(=O)Nc2ccc(OC)c(NC(=O)c3ccco3)c2)C1 ZINC000055369497 570692911 /nfs/dbraw/zinc/69/29/11/570692911.db2.gz ALCKRSJQLQBYBZ-NRFANRHFSA-N 1 1 385.464 3.601 50 0 GHAAMO COC[C@H](O)C[N@@H+](Cc1cccn1Cc1cccc(F)c1)Cc1ccccc1 ZINC000004355749 570694564 /nfs/dbraw/zinc/69/45/64/570694564.db2.gz LEYMIUCLCSPLKZ-HSZRJFAPSA-N 1 1 382.479 3.685 50 0 GHAAMO COc1ccc2oc(=O)cc(C[NH+]3CCN(c4ccc(Cl)cc4)CC3)c2c1 ZINC000055562718 570697209 /nfs/dbraw/zinc/69/72/09/570697209.db2.gz HVPMKPOYPNHGIP-UHFFFAOYSA-N 1 1 384.863 3.777 50 0 GHAAMO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000058370713 570729708 /nfs/dbraw/zinc/72/97/08/570729708.db2.gz FAKRLKRTGCYONG-NRFANRHFSA-N 1 1 392.503 3.864 50 0 GHAAMO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000058370713 570729710 /nfs/dbraw/zinc/72/97/10/570729710.db2.gz FAKRLKRTGCYONG-NRFANRHFSA-N 1 1 392.503 3.864 50 0 GHAAMO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000012976819 570735021 /nfs/dbraw/zinc/73/50/21/570735021.db2.gz XLJRWYJSYDZHKH-KSSFIOAISA-N 1 1 388.533 3.952 50 0 GHAAMO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000012976819 570735022 /nfs/dbraw/zinc/73/50/22/570735022.db2.gz XLJRWYJSYDZHKH-KSSFIOAISA-N 1 1 388.533 3.952 50 0 GHAAMO Cc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012981034 570735736 /nfs/dbraw/zinc/73/57/36/570735736.db2.gz NFUUATVHEZXGDN-HXUWFJFHSA-N 1 1 380.488 3.562 50 0 GHAAMO Cc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012981034 570735742 /nfs/dbraw/zinc/73/57/42/570735742.db2.gz NFUUATVHEZXGDN-HXUWFJFHSA-N 1 1 380.488 3.562 50 0 GHAAMO O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000052248192 570744279 /nfs/dbraw/zinc/74/42/79/570744279.db2.gz RKMOWRKHWWASMG-FQEVSTJZSA-N 1 1 398.890 3.790 50 0 GHAAMO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000052248192 570744283 /nfs/dbraw/zinc/74/42/83/570744283.db2.gz RKMOWRKHWWASMG-FQEVSTJZSA-N 1 1 398.890 3.790 50 0 GHAAMO CC(C)[C@H](CNC(=O)CCc1ccc2c(c1)OCO2)[N@H+]1CCc2ccccc2C1 ZINC000025539307 570758678 /nfs/dbraw/zinc/75/86/78/570758678.db2.gz JEEFXNINGDBGJZ-NRFANRHFSA-N 1 1 394.515 3.547 50 0 GHAAMO COCC[N@H+]1CC[C@H](Cn2cnc(-c3ccccc3)c2-c2cccc(O)c2)C1 ZINC000065383905 570763570 /nfs/dbraw/zinc/76/35/70/570763570.db2.gz FKGIZVRQEYZXHA-SFHVURJKSA-N 1 1 377.488 3.891 50 0 GHAAMO CCc1ccc(-c2c(-c3ccccc3)ncn2CC[N@H+]2CCC[C@H](CO)C2)nc1 ZINC000065527937 570771841 /nfs/dbraw/zinc/77/18/41/570771841.db2.gz PPFDPRDXZMTMJV-FQEVSTJZSA-N 1 1 390.531 3.879 50 0 GHAAMO c1ccc(OCCOCC[NH+]2CCN(c3nsc4ccccc43)CC2)cc1 ZINC000013688256 570774750 /nfs/dbraw/zinc/77/47/50/570774750.db2.gz IXHQDWLXXSPREK-UHFFFAOYSA-N 1 1 383.517 3.514 50 0 GHAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+]1C[C@H](O)[C@@H](OC(C)C)C1 ZINC000067459964 570780558 /nfs/dbraw/zinc/78/05/58/570780558.db2.gz LCBLRPSURLBLIG-IRXDYDNUSA-N 1 1 384.398 3.639 50 0 GHAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@H+]1C[C@H](O)[C@@H](OC(C)C)C1 ZINC000067459964 570780560 /nfs/dbraw/zinc/78/05/60/570780560.db2.gz LCBLRPSURLBLIG-IRXDYDNUSA-N 1 1 384.398 3.639 50 0 GHAAMO CCc1ccc2oc(=O)cc(CN3CC[NH+](Cc4ccc(OC)cc4)CC3)c2c1 ZINC000033088027 570807086 /nfs/dbraw/zinc/80/70/86/570807086.db2.gz VLXKUZBVADOUTF-UHFFFAOYSA-N 1 1 392.499 3.682 50 0 GHAAMO C[N@@H+](Cc1ccccc1NCC(=O)NC(=O)NC1CCCC1)C1CCCCC1 ZINC000012516040 570825619 /nfs/dbraw/zinc/82/56/19/570825619.db2.gz UAKYACTXFSPCLF-UHFFFAOYSA-N 1 1 386.540 3.631 50 0 GHAAMO CCn1cc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)c(C)n1 ZINC000071613981 570841647 /nfs/dbraw/zinc/84/16/47/570841647.db2.gz SCPFLYWWEPVNFC-NRFANRHFSA-N 1 1 386.515 3.723 50 0 GHAAMO Cc1cccc(C)c1CN1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071749021 570846262 /nfs/dbraw/zinc/84/62/62/570846262.db2.gz LRPOEKPVESNYOZ-NRFANRHFSA-N 1 1 383.580 3.602 50 0 GHAAMO Cc1cccc2cc(C(=O)N3CCC[C@H]([N@@H+](C)CCc4ccccn4)C3)oc21 ZINC000072129580 570868139 /nfs/dbraw/zinc/86/81/39/570868139.db2.gz UMRXGFVWTURPPJ-FQEVSTJZSA-N 1 1 377.488 3.915 50 0 GHAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1c(Cl)cccc1Cl)c1cccs1 ZINC000047031687 570938850 /nfs/dbraw/zinc/93/88/50/570938850.db2.gz SQSDBOUAJJPHSZ-LBPRGKRZSA-N 1 1 379.334 3.636 50 0 GHAAMO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](Cc4ccc(F)cc4)C3)C2=O)c1 ZINC000012714659 570967385 /nfs/dbraw/zinc/96/73/85/570967385.db2.gz DNJKIIVTGBCFNZ-QHCPKHFHSA-N 1 1 382.479 3.849 50 0 GHAAMO O=C(c1c2c(nc3ccccc31)CCC2)N1CC[NH+](CCc2ccccc2)CC1 ZINC000012759193 571007875 /nfs/dbraw/zinc/00/78/75/571007875.db2.gz WSAQOBGPPLHYMG-UHFFFAOYSA-N 1 1 385.511 3.724 50 0 GHAAMO C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)CC(=O)Nc1ccccc1Cl ZINC000012762217 571012973 /nfs/dbraw/zinc/01/29/73/571012973.db2.gz KOWHGESHOPLHOL-UHFFFAOYSA-N 1 1 380.275 3.893 50 0 GHAAMO C[N@H+](CCC(=O)Nc1cccc(Cl)c1)CC(=O)Nc1ccccc1Cl ZINC000012762217 571012969 /nfs/dbraw/zinc/01/29/69/571012969.db2.gz KOWHGESHOPLHOL-UHFFFAOYSA-N 1 1 380.275 3.893 50 0 GHAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1SC(F)F ZINC000012779361 571032599 /nfs/dbraw/zinc/03/25/99/571032599.db2.gz YXOICPNOIZUGSE-UHFFFAOYSA-N 1 1 392.471 3.764 50 0 GHAAMO Cc1ncc2c(c1-c1noc(-c3ccc[nH]3)n1)CC[N@@H+](C1Cc3ccccc3C1)C2 ZINC000023399680 836939668 /nfs/dbraw/zinc/93/96/68/836939668.db2.gz WMXQZBPYULBMOH-UHFFFAOYSA-N 1 1 397.482 3.961 50 0 GHAAMO CCCc1noc(C[N@H+](C)C2CCN(c3cccc(-c4cc[nH]n4)c3)CC2)n1 ZINC000023398629 836950604 /nfs/dbraw/zinc/95/06/04/836950604.db2.gz WSPFVIBBNUMICJ-UHFFFAOYSA-N 1 1 380.496 3.513 50 0 GHAAMO CCCc1noc(C[N@@H+](C)C2CCN(c3cccc(-c4cc[nH]n4)c3)CC2)n1 ZINC000023398629 836950613 /nfs/dbraw/zinc/95/06/13/836950613.db2.gz WSPFVIBBNUMICJ-UHFFFAOYSA-N 1 1 380.496 3.513 50 0 GHAAMO C[N@@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CCc2nnc(C3CCOCC3)n2CC1 ZINC000257176233 838708987 /nfs/dbraw/zinc/70/89/87/838708987.db2.gz SEWCCMNNCBCDLU-INIZCTEOSA-N 1 1 392.906 3.802 50 0 GHAAMO CC[N@@H+](Cc1csc(CNC(=O)c2ccccc2)n1)[C@@H]1CCOC(C)(C)C1 ZINC000289702260 839826178 /nfs/dbraw/zinc/82/61/78/839826178.db2.gz HNJASNKNUISAKV-GOSISDBHSA-N 1 1 387.549 3.853 50 0 GHAAMO COc1cccc(C[N@H+]2CC[C@H](Cc3nnc(-c4ccccc4)o3)C2)c1OC ZINC000675011976 840862305 /nfs/dbraw/zinc/86/23/05/840862305.db2.gz ZUPQZHOPZJWZJW-MRXNPFEDSA-N 1 1 379.460 3.818 50 0 GHAAMO COc1cccc2ccn(CCC(=O)N(C)C[C@H]3CCC[N@H+]4CCCC[C@@H]34)c21 ZINC000299754454 861291891 /nfs/dbraw/zinc/29/18/91/861291891.db2.gz QCAFGKYIBBPHLM-UXHICEINSA-N 1 1 383.536 3.763 50 0 biogenic GHAAMO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2CCC3(C2)CCCCCC3)c(C)c1 ZINC000079024454 842762408 /nfs/dbraw/zinc/76/24/08/842762408.db2.gz MLDUNPMILLHKDV-UHFFFAOYSA-N 1 1 385.552 3.713 50 0 GHAAMO C[NH+](C)Cn1c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2oc1=S ZINC000003244576 862278114 /nfs/dbraw/zinc/27/81/14/862278114.db2.gz MZTRMJZLOOHMTF-UHFFFAOYSA-N 1 1 397.909 3.937 50 0 GHAAMO O=C(NCC[N@H+]1CCC[C@@H](c2ccccc2)C1)c1cnoc1-c1ccccc1 ZINC000670442944 862409043 /nfs/dbraw/zinc/40/90/43/862409043.db2.gz CCUHWQOAYZWUNG-HXUWFJFHSA-N 1 1 375.472 3.951 50 0 GHAAMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120458979 862847772 /nfs/dbraw/zinc/84/77/72/862847772.db2.gz QQJWRURLHDUFEJ-QGZVFWFLSA-N 1 1 385.552 3.615 50 0 GHAAMO C[N@@H+](CCCNC(=O)c1ccc(F)cc1Br)Cc1ccccc1 ZINC000009983075 857390067 /nfs/dbraw/zinc/39/00/67/857390067.db2.gz DBBYNWZMWVREFS-UHFFFAOYSA-N 1 1 379.273 3.840 50 0 GHAAMO Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3=O)n1 ZINC000011820543 857423142 /nfs/dbraw/zinc/42/31/42/857423142.db2.gz CXDKDYRYEZIQHX-JOCHJYFZSA-N 1 1 385.458 3.683 50 0 GHAAMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)c2n[nH]c3ccc(Cl)cc32)C1 ZINC000504403079 857868474 /nfs/dbraw/zinc/86/84/74/857868474.db2.gz HQMUPWCPJUNBCQ-UHFFFAOYSA-N 1 1 398.894 3.598 50 0 GHAAMO CSc1ncccc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000012591284 858995921 /nfs/dbraw/zinc/99/59/21/858995921.db2.gz BWEDWHGGOXQWHU-QHCPKHFHSA-N 1 1 395.572 3.974 50 0 GHAAMO Cc1ccc(-c2cc(C(=O)N3CCC[C@H]([N@@H+](C)Cc4ccccc4)C3)[nH]n2)o1 ZINC000012303385 859186653 /nfs/dbraw/zinc/18/66/53/859186653.db2.gz ZDZRAMXQPPSKLS-SFHVURJKSA-N 1 1 378.476 3.715 50 0 GHAAMO Cc1cccc(OCCc2noc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000257189436 859897918 /nfs/dbraw/zinc/89/79/18/859897918.db2.gz ISERTXYFKHHSLD-SFHVURJKSA-N 1 1 378.476 3.774 50 0 GHAAMO CC[NH+]1CCN(Cc2c(C)[nH]c3ccc(OCc4ccccc4)cc3c2=O)CC1 ZINC000019793350 860369428 /nfs/dbraw/zinc/36/94/28/860369428.db2.gz FNDMVQMGMCSZMR-UHFFFAOYSA-N 1 1 391.515 3.965 50 0 GHAAMO CC[N@@H+]1CCc2nc(NC(=O)Cc3csc(-c4ccccc4)n3)sc2C1 ZINC000021294249 860761387 /nfs/dbraw/zinc/76/13/87/860761387.db2.gz MBYUBCRXIULFEY-UHFFFAOYSA-N 1 1 384.530 3.826 50 0 GHAAMO CC[N@H+]1CCc2nc(NC(=O)Cc3csc(-c4ccccc4)n3)sc2C1 ZINC000021294249 860761391 /nfs/dbraw/zinc/76/13/91/860761391.db2.gz MBYUBCRXIULFEY-UHFFFAOYSA-N 1 1 384.530 3.826 50 0 GHAAMO COCCc1noc([C@H]2CCC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)n1 ZINC000824462342 864051373 /nfs/dbraw/zinc/05/13/73/864051373.db2.gz HYWWVCSUPRHFBO-INIZCTEOSA-N 1 1 384.505 3.762 50 0 GHAAMO COCCc1noc([C@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)n1 ZINC000824462342 864051393 /nfs/dbraw/zinc/05/13/93/864051393.db2.gz HYWWVCSUPRHFBO-INIZCTEOSA-N 1 1 384.505 3.762 50 0 GHAAMO CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)Nc2ccc(Oc3ccccc3)cn2)C1 ZINC000626493580 864180073 /nfs/dbraw/zinc/18/00/73/864180073.db2.gz JVSGJECKPVWTNX-HSALFYBXSA-N 1 1 396.491 3.637 50 0 GHAAMO Cc1nc(C[N@@H+]2CCC[C@@H](CNC(=O)COc3cccc(Cl)c3)C2)cs1 ZINC000827841812 865136852 /nfs/dbraw/zinc/13/68/52/865136852.db2.gz QITZVRTZLFFTSI-HNNXBMFYSA-N 1 1 393.940 3.512 50 0 GHAAMO Cc1nc(C[N@H+]2CCC[C@@H](CNC(=O)COc3cccc(Cl)c3)C2)cs1 ZINC000827841812 865136858 /nfs/dbraw/zinc/13/68/58/865136858.db2.gz QITZVRTZLFFTSI-HNNXBMFYSA-N 1 1 393.940 3.512 50 0 GHAAMO CC(C)c1ccc(C[NH+]2CCN([C@@H](O)CCOc3ccc(F)cc3)CC2)cc1 ZINC000575442391 882252884 /nfs/dbraw/zinc/25/28/84/882252884.db2.gz ILRGUDCJQWGVGF-QHCPKHFHSA-N 1 1 386.511 3.854 50 0 GHAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180291850 878748285 /nfs/dbraw/zinc/74/82/85/878748285.db2.gz KJDXVDZSURHZJS-GOSISDBHSA-N 1 1 378.520 3.807 50 0 GHAAMO c1csc(C[N@@H+]2CCCN(Cc3cnc(NCc4ccccc4)nc3)CC2)c1 ZINC000952977105 904656602 /nfs/dbraw/zinc/65/66/02/904656602.db2.gz OTCCLUZIZDLZNF-UHFFFAOYSA-N 1 1 393.560 3.858 50 0 GHAAMO CSc1ccc2cc(C[N@@H+](C)C[C@@H]3CC(=O)N(C(C)(C)C)C3)c(=O)[nH]c2c1 ZINC000952992166 904665470 /nfs/dbraw/zinc/66/54/70/904665470.db2.gz ZSIJUFXOECWSBD-AWEZNQCLSA-N 1 1 387.549 3.741 50 0 GHAAMO CCc1oc(C(=O)Nc2ccc3nc([C@@H](C)O)[nH]c3c2)cc1C[NH+]1CCCC1 ZINC000952984520 904670137 /nfs/dbraw/zinc/67/01/37/904670137.db2.gz XKLFXOMVTGIECJ-CYBMUJFWSA-N 1 1 382.464 3.620 50 0 GHAAMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)N[C@@H](C)CC3CC3)CC2)c1C ZINC000112752487 909352129 /nfs/dbraw/zinc/35/21/29/909352129.db2.gz PNFMMMNIMWUJNQ-INIZCTEOSA-N 1 1 388.556 3.501 50 0 GHAAMO CN(Cc1ncc[nH]1)C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000019225250 919575095 /nfs/dbraw/zinc/57/50/95/919575095.db2.gz OJBDOGAGHNOSIE-KRWDZBQOSA-N 1 1 380.458 3.815 50 0 GHAAMO CN(Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000019758345 919595511 /nfs/dbraw/zinc/59/55/11/919595511.db2.gz LUJUIJZTRMUMDR-XMMPIXPASA-N 1 1 378.564 3.642 50 0 GHAAMO CN(Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000019758345 919595529 /nfs/dbraw/zinc/59/55/29/919595529.db2.gz LUJUIJZTRMUMDR-XMMPIXPASA-N 1 1 378.564 3.642 50 0 GHAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](c3n[nH]cc3Cc3ccccc3)C2)CC1 ZINC000020994698 919677051 /nfs/dbraw/zinc/67/70/51/919677051.db2.gz IYSUXDSFGKUCST-LJQANCHMSA-N 1 1 396.535 3.801 50 0 GHAAMO C[N@@H+]1CCN(C(=O)/C=C/c2cc3c(c(Cl)c2)OCO3)[C@@H](c2ccccc2)C1 ZINC000012793494 927846381 /nfs/dbraw/zinc/84/63/81/927846381.db2.gz KVUJJOUAQWWGRD-LKGOPFMKSA-N 1 1 384.863 3.597 50 0 GHAAMO C[N@H+]1CCN(C(=O)/C=C/c2cc3c(c(Cl)c2)OCO3)[C@@H](c2ccccc2)C1 ZINC000012793494 927846394 /nfs/dbraw/zinc/84/63/94/927846394.db2.gz KVUJJOUAQWWGRD-LKGOPFMKSA-N 1 1 384.863 3.597 50 0 GHAAMO O=C(NCc1cccc(-c2cccnc2)c1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661034106 930490683 /nfs/dbraw/zinc/49/06/83/930490683.db2.gz MVTWIMREQIYJJH-NRFANRHFSA-N 1 1 378.520 3.955 50 0 GHAAMO Cc1cnc(C)c(-c2ccc(C(=O)NC[C@@H]3Cc4ccccc4C[N@@H+]3C)cc2)n1 ZINC000426387581 231212238 /nfs/dbraw/zinc/21/22/38/231212238.db2.gz BAEOHOGYQLECAM-QFIPXVFZSA-N 1 1 386.499 3.547 50 0 GHAAMO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1OC ZINC000055168962 209112806 /nfs/dbraw/zinc/11/28/06/209112806.db2.gz NQFJQWHOMWYARN-HSZRJFAPSA-N 1 1 381.520 3.587 50 0 GHAAMO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccccn4)C3)C2)c1OC ZINC000055168962 209112809 /nfs/dbraw/zinc/11/28/09/209112809.db2.gz 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O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1ccccc1 ZINC000014196535 207015634 /nfs/dbraw/zinc/01/56/34/207015634.db2.gz SJKZCGQKDXNGND-GOSISDBHSA-N 1 1 391.496 3.808 50 0 GHAAMO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000014948875 207032312 /nfs/dbraw/zinc/03/23/12/207032312.db2.gz YVUCYBILKKUEEJ-AKERNLMBSA-N 1 1 394.515 3.616 50 0 GHAAMO COC(=O)Cn1c2cc(Cl)ccc2cc(C[N@@H+](C)CCc2ccccc2)c1=O ZINC000014973885 207037499 /nfs/dbraw/zinc/03/74/99/207037499.db2.gz FVBFUIJMIDGYOU-UHFFFAOYSA-N 1 1 398.890 3.502 50 0 GHAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000015069723 207044758 /nfs/dbraw/zinc/04/47/58/207044758.db2.gz FACOQRLCURSROT-GOSISDBHSA-N 1 1 378.451 3.862 50 0 GHAAMO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)[NH+]2CCCC2)o1 ZINC000015860484 207065562 /nfs/dbraw/zinc/06/55/62/207065562.db2.gz NMOBEQYRZCHUPA-SFHVURJKSA-N 1 1 394.471 3.878 50 0 GHAAMO COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000015772901 207059415 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0 GHAAMO O=C(NCC[N@@H+]1CCC[C@@H](CO)C1)c1cccc(-c2ccc3occc3c2)c1 ZINC000426518803 231234600 /nfs/dbraw/zinc/23/46/00/231234600.db2.gz ORQXPZOECFUOFN-QGZVFWFLSA-N 1 1 378.472 3.534 50 0 GHAAMO COCCCC[NH+]1CCN(C(=O)c2ccc(-c3ccc(F)c(F)c3)cc2)CC1 ZINC000426563442 231241621 /nfs/dbraw/zinc/24/16/21/231241621.db2.gz NDRVPPLMPMIHMJ-UHFFFAOYSA-N 1 1 388.458 3.816 50 0 GHAAMO COc1cccc(CN2CCC[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1OC ZINC000055168959 209113992 /nfs/dbraw/zinc/11/39/92/209113992.db2.gz NQFJQWHOMWYARN-QHCPKHFHSA-N 1 1 381.520 3.587 50 0 GHAAMO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccccn4)C3)C2)c1OC ZINC000055168959 209113996 /nfs/dbraw/zinc/11/39/96/209113996.db2.gz NQFJQWHOMWYARN-QHCPKHFHSA-N 1 1 381.520 3.587 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(Cc4ccccn4)C3)C2)c1OC ZINC000055168959 209114000 /nfs/dbraw/zinc/11/40/00/209114000.db2.gz NQFJQWHOMWYARN-QHCPKHFHSA-N 1 1 381.520 3.587 50 0 GHAAMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](C2CSCCSC2)C1 ZINC000055357877 209112074 /nfs/dbraw/zinc/11/20/74/209112074.db2.gz LTPMXWOFZNRGTC-FQEVSTJZSA-N 1 1 379.591 3.723 50 0 GHAAMO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NCc4nnc5ccccn54)[C@@H]3C2)cc1 ZINC000328595622 206230842 /nfs/dbraw/zinc/23/08/42/206230842.db2.gz ZIKRWOATQVXIDA-HBMCJLEFSA-N 1 1 375.520 3.510 50 0 GHAAMO CC(=O)c1csc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)c1 ZINC000328591668 206230926 /nfs/dbraw/zinc/23/09/26/206230926.db2.gz IZCLOGKNVQCAGO-HNNXBMFYSA-N 1 1 376.547 3.915 50 0 GHAAMO CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825796 206262486 /nfs/dbraw/zinc/26/24/86/206262486.db2.gz GBOQWJWPSMDCHX-HZPDHXFCSA-N 1 1 381.480 3.812 50 0 GHAAMO CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825796 206262489 /nfs/dbraw/zinc/26/24/89/206262489.db2.gz GBOQWJWPSMDCHX-HZPDHXFCSA-N 1 1 381.480 3.812 50 0 GHAAMO CCOC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000036430657 206264324 /nfs/dbraw/zinc/26/43/24/206264324.db2.gz XWIIZZNJNMVLTP-WIYYLYMNSA-N 1 1 394.515 3.556 50 0 GHAAMO Cc1cc(C)nc(Nc2ccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)n1 ZINC000253395889 206282180 /nfs/dbraw/zinc/28/21/80/206282180.db2.gz AQKPYBIWXSAEIA-PZJWPPBQSA-N 1 1 393.535 3.831 50 0 biogenic GHAAMO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000008318969 206747079 /nfs/dbraw/zinc/74/70/79/206747079.db2.gz HKTOYYIOKOVEKO-STQMWFEESA-N 1 1 386.464 3.603 50 0 GHAAMO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000008318969 206747086 /nfs/dbraw/zinc/74/70/86/206747086.db2.gz HKTOYYIOKOVEKO-STQMWFEESA-N 1 1 386.464 3.603 50 0 GHAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000014093332 207009402 /nfs/dbraw/zinc/00/94/02/207009402.db2.gz IRJMAXXHPNBLCF-HXUWFJFHSA-N 1 1 386.499 3.754 50 0 GHAAMO C[C@H]1CCCC[C@]12NC(=O)N(C[NH+]1CCC(CCc3ccccc3)CC1)C2=O ZINC000014201603 207015400 /nfs/dbraw/zinc/01/54/00/207015400.db2.gz SNKMDNGSRAIBSX-MBSDFSHPSA-N 1 1 383.536 3.789 50 0 GHAAMO C[C@H]1CCCC[C@@]12NC(=O)N(C[NH+]1CCC(CCc3ccccc3)CC1)C2=O ZINC000014201601 207015736 /nfs/dbraw/zinc/01/57/36/207015736.db2.gz SNKMDNGSRAIBSX-FDDCHVKYSA-N 1 1 383.536 3.789 50 0 GHAAMO Cc1noc(C)c1CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000015071290 207044917 /nfs/dbraw/zinc/04/49/17/207044917.db2.gz LTSRDPOEAWAIOX-GOSISDBHSA-N 1 1 375.900 3.658 50 0 GHAAMO Cc1noc(C)c1CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000015071290 207044925 /nfs/dbraw/zinc/04/49/25/207044925.db2.gz LTSRDPOEAWAIOX-GOSISDBHSA-N 1 1 375.900 3.658 50 0 GHAAMO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](Cc2ccc3nsnc3c2)C1 ZINC000015076266 207046482 /nfs/dbraw/zinc/04/64/82/207046482.db2.gz CGTQMICXNGFTMK-AWEZNQCLSA-N 1 1 385.464 3.934 50 0 GHAAMO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc3nsnc3c2)C1 ZINC000015076266 207046485 /nfs/dbraw/zinc/04/64/85/207046485.db2.gz CGTQMICXNGFTMK-AWEZNQCLSA-N 1 1 385.464 3.934 50 0 GHAAMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2cnc(SC)nc2)C1 ZINC000015078001 207047046 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O[C@H](COc1ccc2ccccc2c1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019809726 207163447 /nfs/dbraw/zinc/16/34/47/207163447.db2.gz OOPYIRIBNKZISY-FQEVSTJZSA-N 1 1 380.463 3.541 50 0 GHAAMO OC[C@@]1(CCc2ccccc2)CCC[N@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000020205003 207183171 /nfs/dbraw/zinc/18/31/71/207183171.db2.gz FNINYMDQEXBXCZ-RUZDIDTESA-N 1 1 393.575 3.753 50 0 GHAAMO C[N@@H+](CCc1ccccn1)Cc1ccc(-c2nc3c(c(=O)[nH]2)CSC3)cc1 ZINC000020232807 207183692 /nfs/dbraw/zinc/18/36/92/207183692.db2.gz YDXSFFZDNXEXJP-UHFFFAOYSA-N 1 1 378.501 3.666 50 0 GHAAMO CCOc1ccc(CN2CC[N@H+](Cc3cc4ccccc4o3)C[C@@H]2CCO)cc1 ZINC000020877632 207218310 /nfs/dbraw/zinc/21/83/10/207218310.db2.gz QVJPVVACHWWQGB-NRFANRHFSA-N 1 1 394.515 3.900 50 0 GHAAMO CCOc1ccc(CN2CC[N@@H+](Cc3cc4ccccc4o3)C[C@@H]2CCO)cc1 ZINC000020877632 207218313 /nfs/dbraw/zinc/21/83/13/207218313.db2.gz QVJPVVACHWWQGB-NRFANRHFSA-N 1 1 394.515 3.900 50 0 GHAAMO CC(C)(C)C1CCC(OC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000021487129 207230509 /nfs/dbraw/zinc/23/05/09/207230509.db2.gz IIPADSKHLUVXIO-KOENEWCDSA-N 1 1 388.596 3.787 50 0 GHAAMO C[NH+]1CCN([C@@H](CNC(=O)Nc2ccc(Cl)cc2)c2cccs2)CC1 ZINC000022424463 207253444 /nfs/dbraw/zinc/25/34/44/207253444.db2.gz IOXWULBWANHKOX-INIZCTEOSA-N 1 1 378.929 3.512 50 0 GHAAMO CC(C)c1ccc(C[NH+]2CCN(CC(=O)NCCC3=CCCCC3)CC2)cc1 ZINC000022751970 207259825 /nfs/dbraw/zinc/25/98/25/207259825.db2.gz XCMGCMXBQDUPJO-UHFFFAOYSA-N 1 1 383.580 3.934 50 0 GHAAMO Cc1ccc(-c2nn(CN3CC[NH+](Cc4ccsc4)CC3)c(=S)n2C)cc1 ZINC000023256991 207271530 /nfs/dbraw/zinc/27/15/30/207271530.db2.gz QSTYWQJRZRBZIT-UHFFFAOYSA-N 1 1 399.589 3.763 50 0 GHAAMO O=C(CC[NH+]1CCN(Cc2ccc(Cl)s2)CC1)Nc1ccc(F)c(F)c1 ZINC000022931643 207266356 /nfs/dbraw/zinc/26/63/56/207266356.db2.gz PQRLJPMCBLNIQY-UHFFFAOYSA-N 1 1 399.894 3.826 50 0 GHAAMO Cc1ccc2c(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)coc2c1C ZINC000023718720 207281568 /nfs/dbraw/zinc/28/15/68/207281568.db2.gz ATFHCMCPUGIAJH-UHFFFAOYSA-N 1 1 384.520 3.743 50 0 GHAAMO O=c1[nH]c(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)nc2ccccc21 ZINC000023873074 207283845 /nfs/dbraw/zinc/28/38/45/207283845.db2.gz PZKLEXQYSFLLSQ-AWEZNQCLSA-N 1 1 376.485 3.912 50 0 GHAAMO O=c1[nH]c(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)nc2ccccc21 ZINC000023873074 207283848 /nfs/dbraw/zinc/28/38/48/207283848.db2.gz PZKLEXQYSFLLSQ-AWEZNQCLSA-N 1 1 376.485 3.912 50 0 GHAAMO Cc1onc(-c2ccccc2)c1C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000024084388 207287556 /nfs/dbraw/zinc/28/75/56/207287556.db2.gz UMLYYBNCJLHZED-UHFFFAOYSA-N 1 1 375.472 3.916 50 0 GHAAMO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(C)c1 ZINC000024856574 207296370 /nfs/dbraw/zinc/29/63/70/207296370.db2.gz FRWIYWUTMASYSD-GOSISDBHSA-N 1 1 379.504 3.981 50 0 GHAAMO CCOc1ccc(NC(=O)NCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000038572387 207310664 /nfs/dbraw/zinc/31/06/64/207310664.db2.gz UBHUWXXFFSUINO-NRFANRHFSA-N 1 1 383.492 3.670 50 0 GHAAMO CCOc1ccc(NC(=O)NCCC[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000038572387 207310667 /nfs/dbraw/zinc/31/06/67/207310667.db2.gz UBHUWXXFFSUINO-NRFANRHFSA-N 1 1 383.492 3.670 50 0 GHAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)C1 ZINC000040107900 207341318 /nfs/dbraw/zinc/34/13/18/207341318.db2.gz NXQVTXDZHCPVEX-MRXNPFEDSA-N 1 1 386.517 3.574 50 0 GHAAMO COc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccc(F)cc1 ZINC000032624134 207399063 /nfs/dbraw/zinc/39/90/63/207399063.db2.gz WIWHMRPZUVQPRP-IBGZPJMESA-N 1 1 385.435 3.869 50 0 GHAAMO COc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1ccc(F)cc1 ZINC000032624134 207399068 /nfs/dbraw/zinc/39/90/68/207399068.db2.gz WIWHMRPZUVQPRP-IBGZPJMESA-N 1 1 385.435 3.869 50 0 GHAAMO Cc1cccc(-n2cc(C[N@@H+]3CCC(=O)NC[C@@H]3C)c(-c3cccc(F)c3)n2)c1 ZINC000072432643 208024247 /nfs/dbraw/zinc/02/42/47/208024247.db2.gz ZAQZPOHXVPOQNU-KRWDZBQOSA-N 1 1 392.478 3.697 50 0 GHAAMO CC(=O)N[C@@H]1CC[N@@H+](Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000072432211 208024437 /nfs/dbraw/zinc/02/44/37/208024437.db2.gz JFPXKPRBCIIOCW-OAQYLSRUSA-N 1 1 392.478 3.697 50 0 GHAAMO COc1ccc(-c2nn(-c3ccccc3)cc2CN2CC[N@@H+](C)[C@@H](C)C2)c(F)c1 ZINC000072473448 208030192 /nfs/dbraw/zinc/03/01/92/208030192.db2.gz BAPOPYXMEPDJEL-KRWDZBQOSA-N 1 1 394.494 3.823 50 0 GHAAMO C[C@H](C1CCN(Cc2c(Cl)ccc(O)c2Cl)CC1)[NH+]1CCN(C)CC1 ZINC000077379995 208041017 /nfs/dbraw/zinc/04/10/17/208041017.db2.gz DISOOEIKLCEZMN-CQSZACIVSA-N 1 1 386.367 3.547 50 0 GHAAMO O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](Cc1cscn1)CC2 ZINC000077408418 208044688 /nfs/dbraw/zinc/04/46/88/208044688.db2.gz KNYZMRWTDPYFPW-UHFFFAOYSA-N 1 1 375.925 3.811 50 0 GHAAMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000079051357 208071390 /nfs/dbraw/zinc/07/13/90/208071390.db2.gz SEESZCNKHUYAAO-NFBKMPQASA-N 1 1 392.543 3.729 50 0 GHAAMO Cc1cc(=O)c(O)c(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000079477408 208075415 /nfs/dbraw/zinc/07/54/15/208075415.db2.gz PTGVIVFRZALKJH-UHFFFAOYSA-N 1 1 390.483 3.561 50 0 GHAAMO OCCOc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3Cc3ccccc3)C2)c1 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GHAAMO COC(=O)[C@]1(NCc2nc3ccccc3s2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000095454700 208185811 /nfs/dbraw/zinc/18/58/11/208185811.db2.gz ATASUDSGLCGHQS-QFIPXVFZSA-N 1 1 395.528 3.594 50 0 GHAAMO C[N@H+]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)CC1 ZINC000095477694 208192836 /nfs/dbraw/zinc/19/28/36/208192836.db2.gz VNJKEYOPOXHNFT-UHFFFAOYSA-N 1 1 394.906 3.970 50 0 GHAAMO c1cn(Cc2cccnc2)c(C2CCN(c3nc(-c4ccccc4)no3)CC2)[nH+]1 ZINC000095508834 208210830 /nfs/dbraw/zinc/21/08/30/208210830.db2.gz FAFFAMOTONJIEA-UHFFFAOYSA-N 1 1 386.459 3.760 50 0 GHAAMO Cc1ccc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3CC(C)C)c(F)c1 ZINC000095510706 208211302 /nfs/dbraw/zinc/21/13/02/208211302.db2.gz RUNBKUYCKQKSHO-UHFFFAOYSA-N 1 1 384.499 3.503 50 0 GHAAMO c1cn(Cc2ccncc2)c([C@@H]2CCCN(c3nc(-c4ccccc4)no3)C2)[nH+]1 ZINC000095517372 208216114 /nfs/dbraw/zinc/21/61/14/208216114.db2.gz YOQDONDYZBMSCY-LJQANCHMSA-N 1 1 386.459 3.760 50 0 GHAAMO O=C(Nc1ccc2occc(=O)c2c1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000095523845 208223623 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3.975 50 0 GHAAMO COc1cccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3cccs3)C2)c1 ZINC000097105873 208338926 /nfs/dbraw/zinc/33/89/26/208338926.db2.gz IJPVFBUEXAGARQ-IBGZPJMESA-N 1 1 383.517 3.920 50 0 GHAAMO CC(C)=CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(C)cc1)CC2 ZINC000097766605 208361492 /nfs/dbraw/zinc/36/14/92/208361492.db2.gz CKKTUIZOMUKCLO-UHFFFAOYSA-N 1 1 378.520 3.674 50 0 GHAAMO COc1ccc(CCN(Cc2cccnc2)C(=O)[C@H]2CCCCC[N@H+]2C)cc1 ZINC000097711652 208361960 /nfs/dbraw/zinc/36/19/60/208361960.db2.gz LWJCPSAEIOPUAQ-JOCHJYFZSA-N 1 1 381.520 3.536 50 0 GHAAMO Cc1ccc([C@@H]2[NH+]=C(NCc3ccc(Cl)cc3)Nc3nc(C)cc(=O)n32)cc1 ZINC000100134421 208372136 /nfs/dbraw/zinc/37/21/36/208372136.db2.gz GABAKYXNRDLJOA-LJQANCHMSA-N 1 1 393.878 3.632 50 0 GHAAMO Cc1cc(C)n(-c2ccc(CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)n1 ZINC000230208070 209005218 /nfs/dbraw/zinc/00/52/18/209005218.db2.gz GYSXTLVLSXTOSI-GMAHTHKFSA-N 1 1 394.563 3.802 50 0 biogenic GHAAMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(C4CCC4)cc3)cc2)CC1 ZINC000241262018 209019627 /nfs/dbraw/zinc/01/96/27/209019627.db2.gz LAPUSMFASXYYDY-UHFFFAOYSA-N 1 1 391.515 3.523 50 0 GHAAMO OC1(c2cccc(C(F)(F)F)c2)CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000244701114 209021397 /nfs/dbraw/zinc/02/13/97/209021397.db2.gz KAKBLJAIPZTCKH-UHFFFAOYSA-N 1 1 375.394 3.837 50 0 GHAAMO C[C@H](C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1)c1cccc(Br)c1 ZINC000252478340 209032081 /nfs/dbraw/zinc/03/20/81/209032081.db2.gz AJPPPEBOMBLHIC-HIFRSBDPSA-N 1 1 375.314 3.804 50 0 GHAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1cccc(-c2cncnc2)c1 ZINC000299789003 209088792 /nfs/dbraw/zinc/08/87/92/209088792.db2.gz XXOFSENFBZQACR-OAQYLSRUSA-N 1 1 375.476 3.734 50 0 GHAAMO Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cc(=O)c2c1 ZINC000015859917 221348870 /nfs/dbraw/zinc/34/88/70/221348870.db2.gz GYIUASFEYSZDMS-KRWDZBQOSA-N 1 1 380.444 3.570 50 0 GHAAMO COc1cccc(C[N@H+]2CC[C@]3(OC)CC[C@@H](Oc4ccccn4)C[C@H]23)c1F ZINC000426359945 533486443 /nfs/dbraw/zinc/48/64/43/533486443.db2.gz PFKAVUFKPLHOJS-ZWCUEREDSA-N 1 1 386.467 3.820 50 0 GHAAMO COc1cccc(N2CC[NH+](Cc3ccc(OC(F)F)c(OC)c3)CC2)c1 ZINC000039978285 132392025 /nfs/dbraw/zinc/39/20/25/132392025.db2.gz XYUFYDDMVLNXGK-UHFFFAOYSA-N 1 1 378.419 3.627 50 0 GHAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3ccccc3C)CC2)[nH+]1 ZINC000064450166 136156667 /nfs/dbraw/zinc/15/66/67/136156667.db2.gz FLCHBUWINLANPQ-UHFFFAOYSA-N 1 1 387.487 3.799 50 0 GHAAMO Cc1cc(Nc2ccc(NC(=O)c3ccccc3)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801018 136157902 /nfs/dbraw/zinc/15/79/02/136157902.db2.gz LAAYAXPNEBODPH-UHFFFAOYSA-N 1 1 389.459 3.618 50 0 GHAAMO CCc1cnc(C)nc1N1CCC[C@@H]([N@@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000072161512 136167339 /nfs/dbraw/zinc/16/73/39/136167339.db2.gz ULFWDCPJONPJMJ-HXUWFJFHSA-N 1 1 398.551 3.508 50 0 GHAAMO COc1ccc2oc(=O)cc(C[NH+]3CCN(c4cc(C)ccc4C)CC3)c2c1 ZINC000096505285 136187370 /nfs/dbraw/zinc/18/73/70/136187370.db2.gz CVVQCQLUSCVLSU-UHFFFAOYSA-N 1 1 378.472 3.741 50 0 GHAAMO CCN(C(=O)C[N@H+](CC)Cc1ccc(C(=O)N(C)C)cc1)c1ccccc1C ZINC000170872929 527894419 /nfs/dbraw/zinc/89/44/19/527894419.db2.gz PLSIIKUVSZZJFD-UHFFFAOYSA-N 1 1 381.520 3.572 50 0 GHAAMO CCN(C(=O)C[N@@H+](CC)Cc1ccc(C(=O)N(C)C)cc1)c1ccccc1C ZINC000170872929 527894425 /nfs/dbraw/zinc/89/44/25/527894425.db2.gz PLSIIKUVSZZJFD-UHFFFAOYSA-N 1 1 381.520 3.572 50 0 GHAAMO CCCc1cnc(C)nc1N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095524491 535436860 /nfs/dbraw/zinc/43/68/60/535436860.db2.gz MABMEXOGFCZAQN-KRWDZBQOSA-N 1 1 382.537 3.823 50 0 GHAAMO CNc1cc(OC)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1Cl ZINC000003874491 560191177 /nfs/dbraw/zinc/19/11/77/560191177.db2.gz KRVOJOCLBAAKSJ-KBXCAEBGSA-N 1 1 387.911 3.783 50 0 in-vitro GHAAMO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000049581069 570271105 /nfs/dbraw/zinc/27/11/05/570271105.db2.gz SUUXLLBBSOHMBH-ROUUACIJSA-N 1 1 381.524 3.655 50 0 GHAAMO COc1ccc(-c2ncc(CN3CC[NH+](Cc4cccs4)CC3)cn2)cc1 ZINC000215038659 570284393 /nfs/dbraw/zinc/28/43/93/570284393.db2.gz YGNZYBSSYWRVGE-UHFFFAOYSA-N 1 1 380.517 3.532 50 0 GHAAMO O=C(c1cccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1)N1CCCC1 ZINC000034684603 570301750 /nfs/dbraw/zinc/30/17/50/570301750.db2.gz MUAAZTVVUGGDOE-UHFFFAOYSA-N 1 1 383.923 3.898 50 0 GHAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)C1CC1)[N@H+](Cc1ccccc1)CC2 ZINC000034855767 570341474 /nfs/dbraw/zinc/34/14/74/570341474.db2.gz KRMUPRMIGCKFPK-WAIKUNEKSA-N 1 1 394.515 3.718 50 0 GHAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)C1CC1)[N@@H+](Cc1ccccc1)CC2 ZINC000034855767 570341475 /nfs/dbraw/zinc/34/14/75/570341475.db2.gz KRMUPRMIGCKFPK-WAIKUNEKSA-N 1 1 394.515 3.718 50 0 GHAAMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1F ZINC000008308537 570373137 /nfs/dbraw/zinc/37/31/37/570373137.db2.gz UQDCPDYZWPVGHB-LBPRGKRZSA-N 1 1 380.847 3.955 50 0 GHAAMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1F ZINC000008308537 570373141 /nfs/dbraw/zinc/37/31/41/570373141.db2.gz UQDCPDYZWPVGHB-LBPRGKRZSA-N 1 1 380.847 3.955 50 0 GHAAMO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000004553046 570383828 /nfs/dbraw/zinc/38/38/28/570383828.db2.gz HYRXACQMPVKSCO-QGZVFWFLSA-N 1 1 393.270 3.814 50 0 GHAAMO COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000126873294 570455974 /nfs/dbraw/zinc/45/59/74/570455974.db2.gz JAYOBIAOSOOKGP-IRXDYDNUSA-N 1 1 393.487 3.893 50 0 GHAAMO COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000126873294 570455978 /nfs/dbraw/zinc/45/59/78/570455978.db2.gz JAYOBIAOSOOKGP-IRXDYDNUSA-N 1 1 393.487 3.893 50 0 GHAAMO COc1cccc(C[N@@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1OC ZINC000252482858 570474525 /nfs/dbraw/zinc/47/45/25/570474525.db2.gz DPFQJJAJMFENJC-NRFANRHFSA-N 1 1 376.497 3.679 50 0 GHAAMO COc1cccc(C[N@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1OC ZINC000252482858 570474528 /nfs/dbraw/zinc/47/45/28/570474528.db2.gz DPFQJJAJMFENJC-NRFANRHFSA-N 1 1 376.497 3.679 50 0 GHAAMO CCO[C@H]1CCCN(C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000072289631 570481261 /nfs/dbraw/zinc/48/12/61/570481261.db2.gz OZRFGNWKWBOUPL-SFTDATJTSA-N 1 1 387.568 3.670 50 0 GHAAMO COc1ccc([C@H]2CCCCC[N@H+]2Cc2ccc(OCC(N)=O)c(OC)c2)cc1 ZINC000033087209 570519791 /nfs/dbraw/zinc/51/97/91/570519791.db2.gz XDYZCHNWKBEIGL-HXUWFJFHSA-N 1 1 398.503 3.685 50 0 GHAAMO COc1ccc(OC[C@H](O)C[N@H+](Cc2ccco2)Cc2cccc(OC)c2)cc1 ZINC000036098220 570536730 /nfs/dbraw/zinc/53/67/30/570536730.db2.gz DUPGUGYYRXDHDI-LJQANCHMSA-N 1 1 397.471 3.739 50 0 GHAAMO COc1ccc(OC[C@H](O)C[N@@H+](Cc2ccco2)Cc2cccc(OC)c2)cc1 ZINC000036098220 570536731 /nfs/dbraw/zinc/53/67/31/570536731.db2.gz DUPGUGYYRXDHDI-LJQANCHMSA-N 1 1 397.471 3.739 50 0 GHAAMO O=C(NC[C@@H]1COc2ccccc2C1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000072310104 570539053 /nfs/dbraw/zinc/53/90/53/570539053.db2.gz LYJFSOHTXIRWNJ-WIYYLYMNSA-N 1 1 382.479 3.548 50 0 GHAAMO O=C(NC[C@@H]1COc2ccccc2C1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072310104 570539055 /nfs/dbraw/zinc/53/90/55/570539055.db2.gz LYJFSOHTXIRWNJ-WIYYLYMNSA-N 1 1 382.479 3.548 50 0 GHAAMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000034889300 570546590 /nfs/dbraw/zinc/54/65/90/570546590.db2.gz UHYIAKMAELRXKH-DYVFJYSZSA-N 1 1 393.430 3.609 50 0 GHAAMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000034889300 570546592 /nfs/dbraw/zinc/54/65/92/570546592.db2.gz UHYIAKMAELRXKH-DYVFJYSZSA-N 1 1 393.430 3.609 50 0 GHAAMO O=C(CCC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 ZINC000009232411 570553059 /nfs/dbraw/zinc/55/30/59/570553059.db2.gz FEBOTPHFXYHVPL-UHFFFAOYSA-N 1 1 381.451 3.769 50 0 world GHAAMO Cc1noc(C)c1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000011708855 570580453 /nfs/dbraw/zinc/58/04/53/570580453.db2.gz KLYDGFCNIXGZSP-NRFANRHFSA-N 1 1 389.446 3.698 50 0 GHAAMO Cc1noc(C)c1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000011708855 570580456 /nfs/dbraw/zinc/58/04/56/570580456.db2.gz KLYDGFCNIXGZSP-NRFANRHFSA-N 1 1 389.446 3.698 50 0 GHAAMO CC[C@@H]1C[N@H+](CCNC(=O)CCCc2ccccc2)Cc2cc(OC)ccc2O1 ZINC000011782544 570582523 /nfs/dbraw/zinc/58/25/23/570582523.db2.gz IOIPLJLCHHHTNO-OAQYLSRUSA-N 1 1 396.531 3.807 50 0 GHAAMO CC[C@@H]1C[N@@H+](CCNC(=O)CCCc2ccccc2)Cc2cc(OC)ccc2O1 ZINC000011782544 570582525 /nfs/dbraw/zinc/58/25/25/570582525.db2.gz IOIPLJLCHHHTNO-OAQYLSRUSA-N 1 1 396.531 3.807 50 0 GHAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@H+]1CCCC[C@@H]1CCO ZINC000011818001 570585011 /nfs/dbraw/zinc/58/50/11/570585011.db2.gz NEWSFFBRFRJJMT-CYBMUJFWSA-N 1 1 378.856 3.769 50 0 GHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1 ZINC000006780491 570586822 /nfs/dbraw/zinc/58/68/22/570586822.db2.gz AYGAIINJKFCIEQ-MRXNPFEDSA-N 1 1 382.533 3.918 50 0 GHAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(OCCO)cc3)C2)cc1 ZINC000011879748 570590970 /nfs/dbraw/zinc/59/09/70/570590970.db2.gz ZGSUNEXCYOYVBD-LJQANCHMSA-N 1 1 385.529 3.875 50 0 GHAAMO CC(C)(CO)[C@H]([NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1)c1ccccc1 ZINC000225636708 570596799 /nfs/dbraw/zinc/59/67/99/570596799.db2.gz XPRPXPWPJWYTOB-LJQANCHMSA-N 1 1 388.874 3.909 50 0 GHAAMO O[C@@H](COc1ccc(CNCc2ccccc2Cl)cc1)C[NH+]1CCCCC1 ZINC000012074748 570605402 /nfs/dbraw/zinc/60/54/02/570605402.db2.gz HELJWKBFDCRQSM-HXUWFJFHSA-N 1 1 388.939 3.855 50 0 GHAAMO O=C(c1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1)N1CCCC1 ZINC000225827857 570622869 /nfs/dbraw/zinc/62/28/69/570622869.db2.gz NQKGIPPJKXYUQJ-HSZRJFAPSA-N 1 1 394.515 3.593 50 0 GHAAMO CCCC[C@H]1C[N@@H+](CCC(=O)NCc2ncccc2C)Cc2ccccc2O1 ZINC000012247493 570631087 /nfs/dbraw/zinc/63/10/87/570631087.db2.gz QBNKCCBKVCVTFZ-FQEVSTJZSA-N 1 1 381.520 3.850 50 0 GHAAMO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](Cc2nccn2CC)C1 ZINC000012306002 570638835 /nfs/dbraw/zinc/63/88/35/570638835.db2.gz ASGAPUREHIHIAS-QFIPXVFZSA-N 1 1 385.508 3.517 50 0 GHAAMO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@@H+](Cc2nccn2CC)C1 ZINC000012306002 570638838 /nfs/dbraw/zinc/63/88/38/570638838.db2.gz ASGAPUREHIHIAS-QFIPXVFZSA-N 1 1 385.508 3.517 50 0 GHAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccn2)C1)c1cccc(C(F)(F)F)c1 ZINC000012434814 570661507 /nfs/dbraw/zinc/66/15/07/570661507.db2.gz QUWOKSOZQYNLBS-OAHLLOKOSA-N 1 1 377.410 3.742 50 0 GHAAMO CCCCN(C)C(=O)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000012455459 570669045 /nfs/dbraw/zinc/66/90/45/570669045.db2.gz YQMYZDLWEGGNTG-GOSISDBHSA-N 1 1 398.551 3.767 50 0 GHAAMO CCn1nc(C)c(C[N@H+]2CCC[C@@H](C(=O)c3ccc(OC)c(OC)c3)C2)c1C ZINC000012457724 570669829 /nfs/dbraw/zinc/66/98/29/570669829.db2.gz YQWWTWZEIIHZDT-GOSISDBHSA-N 1 1 385.508 3.632 50 0 GHAAMO Cc1oc(-c2cc(F)ccc2F)nc1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000012475126 570673724 /nfs/dbraw/zinc/67/37/24/570673724.db2.gz RQLFBPSQNVMBDF-UHFFFAOYSA-N 1 1 389.446 3.763 50 0 GHAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2c3ccccc3C[C@H]2C)cc1OC ZINC000036394261 570677259 /nfs/dbraw/zinc/67/72/59/570677259.db2.gz WUCVHEGVLFYVGJ-VQIMIIECSA-N 1 1 380.488 3.819 50 0 GHAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2c3ccccc3C[C@H]2C)cc1OC ZINC000036394261 570677262 /nfs/dbraw/zinc/67/72/62/570677262.db2.gz WUCVHEGVLFYVGJ-VQIMIIECSA-N 1 1 380.488 3.819 50 0 GHAAMO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@H+](CC)Cc1ccncc1 ZINC000055036978 570679637 /nfs/dbraw/zinc/67/96/37/570679637.db2.gz HMPKCMNNIAVIKZ-UHFFFAOYSA-N 1 1 379.508 3.624 50 0 GHAAMO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@@H+](CC)Cc1ccncc1 ZINC000055036978 570679638 /nfs/dbraw/zinc/67/96/38/570679638.db2.gz HMPKCMNNIAVIKZ-UHFFFAOYSA-N 1 1 379.508 3.624 50 0 GHAAMO CNS(=O)(=O)c1ccc(C[N@@H+](Cc2cccnc2)C2CCCCCC2)cc1 ZINC000055073771 570681948 /nfs/dbraw/zinc/68/19/48/570681948.db2.gz JRIMJOUDDJLXOS-UHFFFAOYSA-N 1 1 387.549 3.715 50 0 GHAAMO c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1C[NH+]1CCN(c2cnccn2)CC1 ZINC000055131186 570684120 /nfs/dbraw/zinc/68/41/20/570684120.db2.gz IMOWCQJVHCFIQX-UHFFFAOYSA-N 1 1 396.498 3.856 50 0 GHAAMO COc1ccccc1C[N@@H+](Cc1cn(CCC(N)=O)c2ccccc12)C1CC1 ZINC000055199181 570686849 /nfs/dbraw/zinc/68/68/49/570686849.db2.gz MVHFSDMLKARHKF-UHFFFAOYSA-N 1 1 377.488 3.690 50 0 GHAAMO COc1ccccc1C[N@H+](Cc1ccc(-n2cncn2)cc1)Cc1cccnc1 ZINC000055403203 570694990 /nfs/dbraw/zinc/69/49/90/570694990.db2.gz AEFRHWSJOINGRI-UHFFFAOYSA-N 1 1 385.471 3.873 50 0 GHAAMO COc1ccccc1C[N@@H+](Cc1ccc(-n2cncn2)cc1)Cc1cccnc1 ZINC000055403203 570694995 /nfs/dbraw/zinc/69/49/95/570694995.db2.gz AEFRHWSJOINGRI-UHFFFAOYSA-N 1 1 385.471 3.873 50 0 GHAAMO Cc1cccc(-n2cc(C[N@@H+](C)C[C@@H]3COCCO3)c(-c3cccc(F)c3)n2)c1 ZINC000012706423 570700625 /nfs/dbraw/zinc/70/06/25/570700625.db2.gz WFLDGAUAJHAMDI-JOCHJYFZSA-N 1 1 395.478 3.834 50 0 GHAAMO OC[C@]1(Cc2ccc(F)cc2)CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000012715625 570704424 /nfs/dbraw/zinc/70/44/24/570704424.db2.gz KPSMRBZGOPFMET-QHCPKHFHSA-N 1 1 379.479 3.829 50 0 GHAAMO CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000058161276 570712767 /nfs/dbraw/zinc/71/27/67/570712767.db2.gz IGEQMOYOYDUGLA-IBGZPJMESA-N 1 1 378.488 3.846 50 0 GHAAMO CC[N@@H+]1CCc2nc(NC(=O)COc3c(Cl)cccc3Cl)sc2C1 ZINC000012817853 570721277 /nfs/dbraw/zinc/72/12/77/570721277.db2.gz JGHWWTBOCQUPTC-UHFFFAOYSA-N 1 1 386.304 3.845 50 0 GHAAMO CC[N@H+]1CCc2nc(NC(=O)COc3c(Cl)cccc3Cl)sc2C1 ZINC000012817853 570721280 /nfs/dbraw/zinc/72/12/80/570721280.db2.gz JGHWWTBOCQUPTC-UHFFFAOYSA-N 1 1 386.304 3.845 50 0 GHAAMO C[N@@H+](CCCn1c(=O)oc2ccccc21)Cc1cc(Br)cs1 ZINC000058428373 570733069 /nfs/dbraw/zinc/73/30/69/570733069.db2.gz QFGUXFDFTRUGHL-UHFFFAOYSA-N 1 1 381.295 3.941 50 0 GHAAMO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012975585 570734467 /nfs/dbraw/zinc/73/44/67/570734467.db2.gz BMWWUZNFYUGLLK-MRXNPFEDSA-N 1 1 385.895 3.938 50 0 GHAAMO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012975585 570734470 /nfs/dbraw/zinc/73/44/70/570734470.db2.gz BMWWUZNFYUGLLK-MRXNPFEDSA-N 1 1 385.895 3.938 50 0 GHAAMO O=C(C[N@H+]1CCC[C@H]1Cc1ccccc1)NCC1(c2ccccc2)CCOCC1 ZINC000052489225 570750653 /nfs/dbraw/zinc/75/06/53/570750653.db2.gz AVFOYKPNVRDHHV-QHCPKHFHSA-N 1 1 392.543 3.558 50 0 GHAAMO Cc1c(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000063872306 570752794 /nfs/dbraw/zinc/75/27/94/570752794.db2.gz WVQLBNHPIJNYPX-FQEVSTJZSA-N 1 1 376.504 3.561 50 0 GHAAMO COc1c2c(cc3c1[C@@H](Cc1ccc(NC(=O)C(C)C)cc1)[N@@H+](C)CC3)OCO2 ZINC000524729748 570764175 /nfs/dbraw/zinc/76/41/75/570764175.db2.gz HZHSQKNPEMCXOI-GOSISDBHSA-N 1 1 396.487 3.790 50 0 biogenic GHAAMO NC(=O)[C@@H]1CCC[N@@H+](CCCn2cnc(-c3ccccc3)c2-c2ccsc2)C1 ZINC000065421141 570767524 /nfs/dbraw/zinc/76/75/24/570767524.db2.gz HOLHWRSMMXEXLM-GOSISDBHSA-N 1 1 394.544 3.866 50 0 GHAAMO C[NH+]1CCC(CN2CCOc3c(O)cc(-c4ccc(Cl)cn4)cc3C2)CC1 ZINC000067772853 570790753 /nfs/dbraw/zinc/79/07/53/570790753.db2.gz GKANLSYOKOWIKJ-UHFFFAOYSA-N 1 1 387.911 3.644 50 0 GHAAMO COc1cccc(-c2noc3ncnc(NCCC[N@H+]4CCC[C@@H](C)C4)c32)c1 ZINC000033072244 570803818 /nfs/dbraw/zinc/80/38/18/570803818.db2.gz ZMJYPUSJPQQZAA-OAHLLOKOSA-N 1 1 381.480 3.827 50 0 GHAAMO Cc1ccc(CN(C)Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)o1 ZINC000012473718 570821079 /nfs/dbraw/zinc/82/10/79/570821079.db2.gz JCQHFZGCDHGLEC-NRFANRHFSA-N 1 1 386.536 3.836 50 0 GHAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cccc(C[S@@](C)=O)c2)C1 ZINC000060475113 570823252 /nfs/dbraw/zinc/82/32/52/570823252.db2.gz RJAFZNCCZCFMOB-WRHNGFHOSA-N 1 1 398.572 3.727 50 0 GHAAMO O=C(NC[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065477733 570823844 /nfs/dbraw/zinc/82/38/44/570823844.db2.gz ADFNPENYABNUSX-LEWJYISDSA-N 1 1 395.522 3.680 50 0 GHAAMO O=C(c1cc(F)ccc1F)[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000071661484 570842259 /nfs/dbraw/zinc/84/22/59/570842259.db2.gz PFFMGRPSGXJMGX-HNNXBMFYSA-N 1 1 382.410 3.901 50 0 GHAAMO CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)cc1 ZINC000071759660 570849167 /nfs/dbraw/zinc/84/91/67/570849167.db2.gz HMEWYQWRFPQKQU-GOSISDBHSA-N 1 1 390.524 3.579 50 0 GHAAMO Cc1nn2c(nc(N3CC[NH+](Cc4cccnc4)CC3)c3ccccc32)c1Cl ZINC000012549800 570851653 /nfs/dbraw/zinc/85/16/53/570851653.db2.gz JTXYEZGBNJDJFK-UHFFFAOYSA-N 1 1 392.894 3.562 50 0 GHAAMO CC[NH+]1CCN(c2nc(C)nc3c2sc(=S)n3Cc2ccccc2)CC1 ZINC000004717525 570856480 /nfs/dbraw/zinc/85/64/80/570856480.db2.gz KQAAKYZOHRGLDQ-UHFFFAOYSA-N 1 1 385.562 3.721 50 0 GHAAMO CN(C)C(=O)CC[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000072128168 570867636 /nfs/dbraw/zinc/86/76/36/570867636.db2.gz OFKCMYXXPPCASZ-IBGZPJMESA-N 1 1 381.520 3.741 50 0 GHAAMO Cc1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)c(C)n1 ZINC000072126610 570867655 /nfs/dbraw/zinc/86/76/55/570867655.db2.gz UOQSHNVRYJQVFW-NRFANRHFSA-N 1 1 384.499 3.605 50 0 GHAAMO Cc1nn(C)c(C)c1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072133051 570868946 /nfs/dbraw/zinc/86/89/46/570868946.db2.gz DLHOBULVHUXOMX-HXUWFJFHSA-N 1 1 386.515 3.549 50 0 GHAAMO Cc1noc(C)c1CC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072143616 570870417 /nfs/dbraw/zinc/87/04/17/570870417.db2.gz WTZIWENLSGGYOH-OAQYLSRUSA-N 1 1 387.499 3.732 50 0 GHAAMO COCCn1cc(CCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000170613478 570871709 /nfs/dbraw/zinc/87/17/09/570871709.db2.gz WICSSRSKKWFWKR-UGKGYDQZSA-N 1 1 397.563 3.601 50 0 GHAAMO CCCc1ncc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000072146774 570872228 /nfs/dbraw/zinc/87/22/28/570872228.db2.gz ZSNPXPBFXIRAGX-MDNUFGMLSA-N 1 1 380.511 3.630 50 0 GHAAMO CCCc1ncc(CN2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000072146774 570872230 /nfs/dbraw/zinc/87/22/30/570872230.db2.gz ZSNPXPBFXIRAGX-MDNUFGMLSA-N 1 1 380.511 3.630 50 0 GHAAMO CC(C)c1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)c(=O)[nH]1 ZINC000072150884 570873266 /nfs/dbraw/zinc/87/32/66/570873266.db2.gz VLPNVKHSSMGOFU-HXUWFJFHSA-N 1 1 395.547 3.668 50 0 GHAAMO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000010088707 570891681 /nfs/dbraw/zinc/89/16/81/570891681.db2.gz LCDSUUFVYAPMRI-IBGZPJMESA-N 1 1 385.895 3.574 50 0 GHAAMO Cc1ccc(C[N@@H+](C[C@@H](O)COCc2ccccc2)C[C@@H]2CCCO2)c(C)c1 ZINC000104972539 570910618 /nfs/dbraw/zinc/91/06/18/570910618.db2.gz RYBPYZVTTZHEMJ-RPWUZVMVSA-N 1 1 383.532 3.862 50 0 GHAAMO O=C(C[N@H+]1CCC[C@H]2CCCC[C@@H]21)Nc1ccccc1C(=O)NC1CCCC1 ZINC000007587939 570949497 /nfs/dbraw/zinc/94/94/97/570949497.db2.gz RHUHXIQOBMIQAH-UTKZUKDTSA-N 1 1 383.536 3.952 50 0 GHAAMO Cc1nn(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c(=S)n1Cc1ccccc1 ZINC000047404696 570955893 /nfs/dbraw/zinc/95/58/93/570955893.db2.gz VBTJRHDCIVYWIK-OAQYLSRUSA-N 1 1 393.560 3.717 50 0 GHAAMO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000252452392 570958352 /nfs/dbraw/zinc/95/83/52/570958352.db2.gz GLCKDGRVVUHGKI-UZLBHIALSA-N 1 1 385.533 3.749 50 0 GHAAMO C[C@H]1CCC[N@@H+](CC2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)C1 ZINC000033312314 570971378 /nfs/dbraw/zinc/97/13/78/570971378.db2.gz AXHDPSFWBWOWLB-AWEZNQCLSA-N 1 1 388.936 3.612 50 0 GHAAMO CC(C)c1noc([C@H](C)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)n1 ZINC000044585340 570975309 /nfs/dbraw/zinc/97/53/09/570975309.db2.gz RBUFJBHBRKCZBK-HNNXBMFYSA-N 1 1 378.904 3.604 50 0 GHAAMO O=C1C[C@H]([NH+]2CCC(c3ccccc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000004785296 570988827 /nfs/dbraw/zinc/98/88/27/570988827.db2.gz FKRXTCYYAAVNDG-IBGZPJMESA-N 1 1 386.854 3.991 50 0 GHAAMO COc1ccccc1[C@H](CNC(=O)COc1cc(C)ccc1C(C)C)[NH+](C)C ZINC000007671221 571014660 /nfs/dbraw/zinc/01/46/60/571014660.db2.gz DZALFGIYBJCLSO-FQEVSTJZSA-N 1 1 384.520 3.925 50 0 GHAAMO CSc1ccc(Cl)c(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000012768150 571018842 /nfs/dbraw/zinc/01/88/42/571018842.db2.gz RCFGKEWQZVBPRR-UHFFFAOYSA-N 1 1 390.936 3.824 50 0 GHAAMO Cc1ccc(N2CCC(C(=O)Nc3n[nH]c(-c4ccccc4Cl)n3)CC2)[nH+]c1 ZINC000194158507 844203777 /nfs/dbraw/zinc/20/37/77/844203777.db2.gz LPPODDAXSTZLIJ-UHFFFAOYSA-N 1 1 396.882 3.684 50 0 GHAAMO CS[C@H]1CC[C@H]([N@H+](C)CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000078947783 838568594 /nfs/dbraw/zinc/56/85/94/838568594.db2.gz FSDANPVQGVNPJO-STQMWFEESA-N 1 1 382.378 3.983 50 0 GHAAMO CS[C@H]1CC[C@H]([N@@H+](C)CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000078947783 838568596 /nfs/dbraw/zinc/56/85/96/838568596.db2.gz FSDANPVQGVNPJO-STQMWFEESA-N 1 1 382.378 3.983 50 0 GHAAMO Cc1ccc(-c2cc(CN3CC[C@@H](C[N@H+](C)Cc4cccnc4)C3)on2)cc1 ZINC000195301177 841522454 /nfs/dbraw/zinc/52/24/54/841522454.db2.gz DPVPFISOIKBMFQ-FQEVSTJZSA-N 1 1 376.504 3.999 50 0 GHAAMO Cc1ccc(-c2cc(C[N@H+]3CC[C@@H](CN(C)Cc4cccnc4)C3)on2)cc1 ZINC000195301177 841522463 /nfs/dbraw/zinc/52/24/63/841522463.db2.gz DPVPFISOIKBMFQ-FQEVSTJZSA-N 1 1 376.504 3.999 50 0 GHAAMO Cc1ccc(-c2cc(C[N@@H+]3CC[C@@H](CN(C)Cc4cccnc4)C3)on2)cc1 ZINC000195301177 841522470 /nfs/dbraw/zinc/52/24/70/841522470.db2.gz DPVPFISOIKBMFQ-FQEVSTJZSA-N 1 1 376.504 3.999 50 0 GHAAMO CCCC[N@@H+]1Cc2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)cc2C1 ZINC000290954817 843255821 /nfs/dbraw/zinc/25/58/21/843255821.db2.gz NLKLOOSDRYZCNP-UHFFFAOYSA-N 1 1 397.500 3.857 50 0 GHAAMO CCCC[N@H+]1Cc2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)cc2C1 ZINC000290954817 843255832 /nfs/dbraw/zinc/25/58/32/843255832.db2.gz NLKLOOSDRYZCNP-UHFFFAOYSA-N 1 1 397.500 3.857 50 0 GHAAMO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000079105770 848837924 /nfs/dbraw/zinc/83/79/24/848837924.db2.gz HIBUUINSJFJKDY-AWEZNQCLSA-N 1 1 393.361 3.777 50 0 GHAAMO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@H](C)c1ccccc1Cl)CCC2 ZINC000057315213 861958840 /nfs/dbraw/zinc/95/88/40/861958840.db2.gz UGTRLUUWCFZYFP-LLVKDONJSA-N 1 1 392.908 3.966 50 0 GHAAMO CN(C)Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)o1 ZINC000012432060 862338637 /nfs/dbraw/zinc/33/86/37/862338637.db2.gz WUSONBRRXNUGIM-HSZRJFAPSA-N 1 1 399.510 3.609 50 0 GHAAMO COc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000008310295 856107869 /nfs/dbraw/zinc/10/78/69/856107869.db2.gz KJALLAUPVUNDNE-IBGZPJMESA-N 1 1 382.460 3.632 50 0 GHAAMO COc1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000008310295 856107874 /nfs/dbraw/zinc/10/78/74/856107874.db2.gz KJALLAUPVUNDNE-IBGZPJMESA-N 1 1 382.460 3.632 50 0 GHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O ZINC000008764815 856351607 /nfs/dbraw/zinc/35/16/07/856351607.db2.gz PLLNIPSBWGCCRH-MRXNPFEDSA-N 1 1 396.487 3.607 50 0 biogenic GHAAMO CC(C)NC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000068860309 856610283 /nfs/dbraw/zinc/61/02/83/856610283.db2.gz NQJMHSQRIDRBEZ-MRXNPFEDSA-N 1 1 380.492 3.602 50 0 GHAAMO CC(C)NC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000068860309 856610292 /nfs/dbraw/zinc/61/02/92/856610292.db2.gz NQJMHSQRIDRBEZ-MRXNPFEDSA-N 1 1 380.492 3.602 50 0 GHAAMO COc1ccc(OC[C@H](O)C[N@@H+](Cc2ccccn2)C2CC2)c(C(C)(C)C)c1 ZINC000039982550 856615271 /nfs/dbraw/zinc/61/52/71/856615271.db2.gz GOLBGJNWFNYICZ-LJQANCHMSA-N 1 1 384.520 3.792 50 0 GHAAMO Cc1nn(C)c(Cl)c1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000040040700 856639133 /nfs/dbraw/zinc/63/91/33/856639133.db2.gz CEUKWZLHOIDCHO-HNNXBMFYSA-N 1 1 381.307 3.602 50 0 GHAAMO O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1ccc[nH]c1=S ZINC000040112630 856667058 /nfs/dbraw/zinc/66/70/58/856667058.db2.gz NOHHMRADMFPJPE-SFHVURJKSA-N 1 1 395.553 3.961 50 0 GHAAMO O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1ccc[nH]c1=S ZINC000040112630 856667064 /nfs/dbraw/zinc/66/70/64/856667064.db2.gz NOHHMRADMFPJPE-SFHVURJKSA-N 1 1 395.553 3.961 50 0 GHAAMO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OC)c(F)c2)c1C ZINC000009076935 856756339 /nfs/dbraw/zinc/75/63/39/856756339.db2.gz ZOAYNKBEHQIIHD-GXTWGEPZSA-N 1 1 390.455 3.878 50 0 GHAAMO Cc1ccc(C[N@@H+](C[C@@H](O)COCc2ccccc2)C[C@H]2CCCO2)c(C)c1 ZINC000245280757 856792771 /nfs/dbraw/zinc/79/27/71/856792771.db2.gz RYBPYZVTTZHEMJ-DNQXCXABSA-N 1 1 383.532 3.862 50 0 GHAAMO O=c1oc2ccccc2n1CCC[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000071853533 857468635 /nfs/dbraw/zinc/46/86/35/857468635.db2.gz VAMUJQSPLBXHNB-UHFFFAOYSA-N 1 1 391.924 3.517 50 0 GHAAMO C[N@@H+]1CC(=Cc2ccc(F)cc2)C2=NC(=S)N[C@@H](c3ccc(F)cc3)C2C1 ZINC000055174858 857614121 /nfs/dbraw/zinc/61/41/21/857614121.db2.gz RSSCIJGJORVHLT-XATQLNLPSA-N 1 1 383.467 3.767 50 0 GHAAMO CC(C)C[N@H+]1CCCn2ccnc2[C@H]1C1CCN(C(=O)c2ccccc2)CC1 ZINC000257191185 857622398 /nfs/dbraw/zinc/62/23/98/857622398.db2.gz PHSBRZIEIREMOQ-OAQYLSRUSA-N 1 1 380.536 3.838 50 0 GHAAMO Cn1cc([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCC[N@@H+]24)c(-c2ccccc2)n1 ZINC000012303359 859186620 /nfs/dbraw/zinc/18/66/20/859186620.db2.gz GUZLRANSNNKHJX-XZOYJPPVSA-N 1 1 390.531 3.768 50 0 GHAAMO Cc1ccc(C(=O)N2CCC([N@H+]3C[C@H](OCC4CC4)C34CCCCC4)CC2)cn1 ZINC000257175505 859391496 /nfs/dbraw/zinc/39/14/96/859391496.db2.gz BAAFXYUVJCDARC-QFIPXVFZSA-N 1 1 397.563 3.808 50 0 GHAAMO COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[N@@H+]1CCCC(C)(C)C1 ZINC000002448401 859454973 /nfs/dbraw/zinc/45/49/73/859454973.db2.gz WYRRZMBSZRKNEN-UHFFFAOYSA-N 1 1 377.872 3.668 50 0 GHAAMO COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[N@H+]1CCCC(C)(C)C1 ZINC000002448401 859454980 /nfs/dbraw/zinc/45/49/80/859454980.db2.gz WYRRZMBSZRKNEN-UHFFFAOYSA-N 1 1 377.872 3.668 50 0 GHAAMO Cc1ccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)c(C)c1 ZINC000007920841 860593924 /nfs/dbraw/zinc/59/39/24/860593924.db2.gz JALFPGDEQFIKBG-UHFFFAOYSA-N 1 1 383.883 3.608 50 0 GHAAMO Cc1ccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)c(C)c1 ZINC000007920841 860593928 /nfs/dbraw/zinc/59/39/28/860593928.db2.gz JALFPGDEQFIKBG-UHFFFAOYSA-N 1 1 383.883 3.608 50 0 GHAAMO CC(C)c1ccc(CCNC(=O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186625771 860805126 /nfs/dbraw/zinc/80/51/26/860805126.db2.gz RXIKYOFYFNESIE-DEOSSOPVSA-N 1 1 378.516 3.600 50 0 GHAAMO CC(C)c1ccc(CCNC(=O)C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186625771 860805131 /nfs/dbraw/zinc/80/51/31/860805131.db2.gz RXIKYOFYFNESIE-DEOSSOPVSA-N 1 1 378.516 3.600 50 0 GHAAMO Cc1nnc(-c2cccc(C(=O)N(C)Cc3ccc4c(c3)C[N@H+](C)C4)c2)s1 ZINC000823806238 863194251 /nfs/dbraw/zinc/19/42/51/863194251.db2.gz GIMCQPBRBWMIQN-UHFFFAOYSA-N 1 1 378.501 3.731 50 0 GHAAMO CC1=C(C[N@@H+]2CCC[C@H](CNC(=O)CCc3cnn(C)c3)C2)C(C)(C)CCC1 ZINC000827822350 865128087 /nfs/dbraw/zinc/12/80/87/865128087.db2.gz BINSPRDJWYWMNM-LJQANCHMSA-N 1 1 386.584 3.708 50 0 GHAAMO Cc1nsc(N2CCC[N@@H+](Cc3ccc(OCc4ccccn4)cc3)CC2)n1 ZINC000174170458 865509641 /nfs/dbraw/zinc/50/96/41/865509641.db2.gz CIFCDFKHSKDDCZ-UHFFFAOYSA-N 1 1 395.532 3.533 50 0 GHAAMO Cc1ccc(NC(=O)N2CC(c3noc([C@@H]4CCC[N@H+]4CC4CC4)n3)C2)cc1C ZINC000575542032 866173920 /nfs/dbraw/zinc/17/39/20/866173920.db2.gz LGSKNZDEQLLGOA-IBGZPJMESA-N 1 1 395.507 3.865 50 0 GHAAMO CO[C@@H]1C(=O)N(c2cccc(F)c2)C12CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC000581803056 869998731 /nfs/dbraw/zinc/99/87/31/869998731.db2.gz RMNNTBMVFUERAN-LJQANCHMSA-N 1 1 390.405 3.500 50 0 GHAAMO COCC[N@@H+](C)Cc1ccc(CC2CCN(C(=O)c3ccsc3)CC2)cc1 ZINC000581810251 870042902 /nfs/dbraw/zinc/04/29/02/870042902.db2.gz IUYHULTVYAYSDT-UHFFFAOYSA-N 1 1 386.561 3.921 50 0 GHAAMO COc1ccc(C)[nH+]c1NCc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000181524815 871143499 /nfs/dbraw/zinc/14/34/99/871143499.db2.gz LLUPSTFHMXAJCH-UHFFFAOYSA-N 1 1 380.448 3.573 50 0 GHAAMO Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccncc3)cc2)n1 ZINC000200561678 876889686 /nfs/dbraw/zinc/88/96/86/876889686.db2.gz QAGLSQYQBMWNNB-JOCHJYFZSA-N 1 1 389.503 3.877 50 0 GHAAMO Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCC[N@H+]3Cc3ccncc3)cc2)n1 ZINC000200561678 876889694 /nfs/dbraw/zinc/88/96/94/876889694.db2.gz QAGLSQYQBMWNNB-JOCHJYFZSA-N 1 1 389.503 3.877 50 0 GHAAMO CC(=O)CCC(=O)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000200586180 876916589 /nfs/dbraw/zinc/91/65/89/876916589.db2.gz YETXXBBQVVXKAH-OAQYLSRUSA-N 1 1 385.552 3.824 50 0 GHAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180291867 878747189 /nfs/dbraw/zinc/74/71/89/878747189.db2.gz KJDXVDZSURHZJS-SFHVURJKSA-N 1 1 378.520 3.807 50 0 GHAAMO CCCN(C(=O)/C=C/c1ccc(C)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000095397105 913398395 /nfs/dbraw/zinc/39/83/95/913398395.db2.gz UUJXHAHRCNHSQB-CMDGGOBGSA-N 1 1 382.508 3.916 50 0 GHAAMO Cc1nc(COc2ccc(C[NH+]3CCN(c4ccc(F)cn4)CC3)cc2)cs1 ZINC000585084622 897170057 /nfs/dbraw/zinc/17/00/57/897170057.db2.gz QTRUQVYJGCRFOE-UHFFFAOYSA-N 1 1 398.507 3.887 50 0 GHAAMO COc1ccc(C[N@@H+](C)C[C@H]2CC(=O)N(C(C)(C)C)C2)c2c(OC)cccc12 ZINC000952967912 904662594 /nfs/dbraw/zinc/66/25/94/904662594.db2.gz MEJJVASWPGZLMP-MRXNPFEDSA-N 1 1 384.520 3.936 50 0 GHAAMO Cc1ccc([C@@H](C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)[NH+](C)C)cc1 ZINC000952984572 904669939 /nfs/dbraw/zinc/66/99/39/904669939.db2.gz WNSPDRIUXSTVPW-QFIPXVFZSA-N 1 1 393.531 3.540 50 0 GHAAMO O=C(NC1CCN(Cc2ccc(F)cc2)CC1)C1([NH+]2CCCC2)CCCCC1 ZINC000952991412 904677075 /nfs/dbraw/zinc/67/70/75/904677075.db2.gz RJCLXAFWROHJKM-UHFFFAOYSA-N 1 1 387.543 3.705 50 0 GHAAMO Cn1ccnc1C(=O)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cc3ccccc3o2)C1 ZINC000020781374 919660286 /nfs/dbraw/zinc/66/02/86/919660286.db2.gz WXMWCEMERMNOJT-INIZCTEOSA-N 1 1 389.459 3.651 50 0 GHAAMO C[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)C1 ZINC000039447869 919711472 /nfs/dbraw/zinc/71/14/72/919711472.db2.gz VRGBEIHHTKTCIC-GDBMZVCRSA-N 1 1 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ZINC000666538697 930494591 /nfs/dbraw/zinc/49/45/91/930494591.db2.gz YLDIBGTUCGJVHB-OAQYLSRUSA-N 1 1 391.540 3.910 50 0 GHAAMO Cc1ccncc1CC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000666538697 930494596 /nfs/dbraw/zinc/49/45/96/930494596.db2.gz YLDIBGTUCGJVHB-OAQYLSRUSA-N 1 1 391.540 3.910 50 0 GHAAMO CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@H]3CCC[N@H+]32)cc1 ZINC000247848800 206282062 /nfs/dbraw/zinc/28/20/62/206282062.db2.gz QHRYYIWWVCYYGL-VNTMZGSJSA-N 1 1 378.497 3.733 50 0 GHAAMO O=C(C[N@H+](Cc1ccc(F)cc1)C1CCCCC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009377088 206331618 /nfs/dbraw/zinc/33/16/18/206331618.db2.gz CTRIXTYVYZZZDV-UHFFFAOYSA-N 1 1 396.466 3.769 50 0 GHAAMO C[NH+]1CCN(C(=S)c2cn(CCOc3ccccc3F)c3ccccc23)CC1 ZINC000000783746 206320706 /nfs/dbraw/zinc/32/07/06/206320706.db2.gz AAVNCURKKQSDOL-UHFFFAOYSA-N 1 1 397.519 3.782 50 0 GHAAMO CCOC(=O)c1oc2ccccc2c1C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000014246374 207018334 /nfs/dbraw/zinc/01/83/34/207018334.db2.gz 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GHAAMO CCOc1ccc(CN2CC[N@H+](C/C=C/c3ccccc3)C[C@@H]2CCO)cc1 ZINC000019732555 207156243 /nfs/dbraw/zinc/15/62/43/207156243.db2.gz ZYMQICJJOJTLLU-CJHOVAGGSA-N 1 1 380.532 3.667 50 0 GHAAMO CCOc1ccc(CN2CC[N@@H+](C/C=C/c3ccccc3)C[C@@H]2CCO)cc1 ZINC000019732555 207156249 /nfs/dbraw/zinc/15/62/49/207156249.db2.gz ZYMQICJJOJTLLU-CJHOVAGGSA-N 1 1 380.532 3.667 50 0 GHAAMO c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000019744088 207156894 /nfs/dbraw/zinc/15/68/94/207156894.db2.gz RMUNWNGNOWKERX-UHFFFAOYSA-N 1 1 398.514 3.512 50 0 GHAAMO COc1ccccc1N1CCC([N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)CC1 ZINC000019839418 207165851 /nfs/dbraw/zinc/16/58/51/207165851.db2.gz NTKJZBNMKYURKD-VWLOTQADSA-N 1 1 394.559 3.981 50 0 GHAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3cccc(OCC)c3)C[C@@H]2CCO)cc1 ZINC000019837935 207166758 /nfs/dbraw/zinc/16/67/58/207166758.db2.gz IJECOQGOIMJFNV-QFIPXVFZSA-N 1 1 398.547 3.553 50 0 GHAAMO CCOc1ccc(C[N@H+]2CCN(Cc3cccc(OCC)c3)C[C@@H]2CCO)cc1 ZINC000019837935 207166762 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CC(=O)c1cccc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)c1 ZINC000020256734 207186575 /nfs/dbraw/zinc/18/65/75/207186575.db2.gz ZLAKAGHJVPZIMN-DEOSSOPVSA-N 1 1 377.532 3.676 50 0 GHAAMO CC(=O)c1cccc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)c1 ZINC000020256734 207186579 /nfs/dbraw/zinc/18/65/79/207186579.db2.gz ZLAKAGHJVPZIMN-DEOSSOPVSA-N 1 1 377.532 3.676 50 0 GHAAMO CSc1cccc(NC(=S)N2CCCC[C@H]2CC[NH+]2CCOCC2)c1 ZINC000020412869 207191743 /nfs/dbraw/zinc/19/17/43/207191743.db2.gz WOICHSZSCSSFHX-KRWDZBQOSA-N 1 1 379.595 3.682 50 0 GHAAMO CCOC(=O)N1CCC([N@@H+](C)[C@@H]2CCCN(CCCc3ccccc3)C2)CC1 ZINC000020452502 207193807 /nfs/dbraw/zinc/19/38/07/207193807.db2.gz UUOYIIMHSIYMKA-JOCHJYFZSA-N 1 1 387.568 3.636 50 0 GHAAMO CCOC(=O)N1CCC(N(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)CC1 ZINC000020452502 207193810 /nfs/dbraw/zinc/19/38/10/207193810.db2.gz UUOYIIMHSIYMKA-JOCHJYFZSA-N 1 1 387.568 3.636 50 0 GHAAMO CCOC(=O)N1CCC(N(C)[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)CC1 ZINC000020452502 207193814 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O=C(Nc1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1)c1ccccc1 ZINC000022402138 207253468 /nfs/dbraw/zinc/25/34/68/207253468.db2.gz VGHVIVLQDBWBMU-UHFFFAOYSA-N 1 1 399.494 3.897 50 0 GHAAMO COc1cccc(-c2nn(-c3ccccc3)cc2CN2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000022851376 207263712 /nfs/dbraw/zinc/26/37/12/207263712.db2.gz RBTHNGJVYUYHRD-JOCHJYFZSA-N 1 1 388.515 3.828 50 0 GHAAMO Cc1nn(CN2CC[NH+](Cc3ccsc3)CC2)c(=S)n1Cc1ccccc1 ZINC000022778032 207261120 /nfs/dbraw/zinc/26/11/20/207261120.db2.gz ZQMNEFQWMMCSLR-UHFFFAOYSA-N 1 1 399.589 3.608 50 0 GHAAMO Cc1cc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cc(C)c1O ZINC000023374858 207276682 /nfs/dbraw/zinc/27/66/82/207276682.db2.gz ZXWIQGYJOOBAPC-OAQYLSRUSA-N 1 1 397.538 3.935 50 0 GHAAMO OCC[C@H]1CN(Cc2c[nH]c3ccccc23)CC[N@H+]1CCCc1ccccc1 ZINC000023374850 207277043 /nfs/dbraw/zinc/27/70/43/207277043.db2.gz XCEWYVFYGGRNEE-QFIPXVFZSA-N 1 1 377.532 3.669 50 0 GHAAMO O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000024292341 207290380 /nfs/dbraw/zinc/29/03/80/207290380.db2.gz RUMCWNKWGLDINM-UHFFFAOYSA-N 1 1 392.528 3.535 50 0 GHAAMO C[C@@H](CNC(=O)c1ccc(Br)s1)[N@@H+]1CCc2ccccc2C1 ZINC000025939654 207307856 /nfs/dbraw/zinc/30/78/56/207307856.db2.gz KJZZTTMROHZAQO-LBPRGKRZSA-N 1 1 379.323 3.687 50 0 GHAAMO C[C@@H](CNC(=O)c1ccc(Br)s1)[N@H+]1CCc2ccccc2C1 ZINC000025939654 207307858 /nfs/dbraw/zinc/30/78/58/207307858.db2.gz KJZZTTMROHZAQO-LBPRGKRZSA-N 1 1 379.323 3.687 50 0 GHAAMO O=c1[nH]ncc(N2CC[NH+](Cc3ccc(-c4ccccc4)s3)CC2)c1Cl ZINC000026708925 207317570 /nfs/dbraw/zinc/31/75/70/207317570.db2.gz OMSNJMDLOLABNZ-UHFFFAOYSA-N 1 1 386.908 3.886 50 0 GHAAMO CN1CC[NH+](Cc2ccccc2CNC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000040089771 207337659 /nfs/dbraw/zinc/33/76/59/207337659.db2.gz MEFJRGMDRATNPV-UHFFFAOYSA-N 1 1 392.330 3.671 50 0 GHAAMO C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000029051051 207355224 /nfs/dbraw/zinc/35/52/24/207355224.db2.gz JPRVAQFGHIJYMS-YWZLYKJASA-N 1 1 397.906 3.574 50 0 GHAAMO COCCNC(=O)[C@@H]1C[C@H](c2cccc(C)c2)C[N@@H+](Cc2cccc(F)c2)C1 ZINC000034711261 207471787 /nfs/dbraw/zinc/47/17/87/207471787.db2.gz CINZEBRIRCLFOI-LEWJYISDSA-N 1 1 384.495 3.502 50 0 GHAAMO Fc1cccc(Oc2ncccc2C[NH2+]Cc2cnc(N3CCCC3)nc2)c1 ZINC000040153243 207587324 /nfs/dbraw/zinc/58/73/24/207587324.db2.gz BPGLXRNUUJXIQT-UHFFFAOYSA-N 1 1 379.439 3.693 50 0 GHAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1)c1cccs1 ZINC000077555881 208050108 /nfs/dbraw/zinc/05/01/08/208050108.db2.gz DRJSGHRLQHVQII-SFHVURJKSA-N 1 1 380.517 3.576 50 0 GHAAMO Nc1ncccc1C[N@H+]1CCCC12CCN(c1nc3ccccc3s1)CC2 ZINC000072473092 208030227 /nfs/dbraw/zinc/03/02/27/208030227.db2.gz PIUSMFUZHCJZTR-UHFFFAOYSA-N 1 1 379.533 3.909 50 0 GHAAMO Cc1cc(=O)c(C(=O)N2CCC[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2)c(C)[nH]1 ZINC000072473272 208030601 /nfs/dbraw/zinc/03/06/01/208030601.db2.gz QVUODVKHAIGTRW-XMMPIXPASA-N 1 1 393.531 3.510 50 0 GHAAMO COc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)c(C)c1 ZINC000072475464 208030920 /nfs/dbraw/zinc/03/09/20/208030920.db2.gz WTSPCUVYJXSJOT-XMMPIXPASA-N 1 1 393.531 3.803 50 0 GHAAMO CC(C)C[N@H+]1CCn2nc(CNC(=O)c3ccc(Cl)c(Cl)c3)cc2C1 ZINC000082161307 208083463 /nfs/dbraw/zinc/08/34/63/208083463.db2.gz UYYKXIAHHZCUFF-UHFFFAOYSA-N 1 1 381.307 3.592 50 0 GHAAMO CCN(C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CCCC1 ZINC000082134825 208083570 /nfs/dbraw/zinc/08/35/70/208083570.db2.gz IBBDUUCLLUBLSO-OAQYLSRUSA-N 1 1 398.595 3.549 50 0 GHAAMO CC(C)Oc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccncc2)C3)cc1 ZINC000091616418 208127445 /nfs/dbraw/zinc/12/74/45/208127445.db2.gz RAFWVSUVIGVRKM-PZJWPPBQSA-N 1 1 379.504 3.605 50 0 GHAAMO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCN1C[C@@H](C)C[C@H](C)C1 ZINC000089520887 208105830 /nfs/dbraw/zinc/10/58/30/208105830.db2.gz KVYGIGYLQLVEQX-GJZGRUSLSA-N 1 1 376.495 3.835 50 0 GHAAMO O=C(c1ccccc1)N1C[C@H]2CC[C@H](C[N@@H+]2CCCOCc2ccccc2)C1 ZINC000091951168 208143367 /nfs/dbraw/zinc/14/33/67/208143367.db2.gz ULRYSKRMJSTVGS-FYYLOGMGSA-N 1 1 378.516 3.830 50 0 GHAAMO O=C(CCCOc1ccccc1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000092028578 208147147 /nfs/dbraw/zinc/14/71/47/208147147.db2.gz BZCUWCGDBPPICI-FGZHOGPDSA-N 1 1 378.516 3.969 50 0 GHAAMO Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3cc[nH]c3c1)C2 ZINC000095387182 208175454 /nfs/dbraw/zinc/17/54/54/208175454.db2.gz JDHKISHTQHKTOF-QFBILLFUSA-N 1 1 378.476 3.509 50 0 GHAAMO O=C(Cc1ccccc1)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095392145 208179258 /nfs/dbraw/zinc/17/92/58/208179258.db2.gz DLMBPFTXTVRNOQ-CDNPAEQRSA-N 1 1 382.454 3.596 50 0 GHAAMO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@H+](Cc2nc(C)no2)C1 ZINC000095520558 208219264 /nfs/dbraw/zinc/21/92/64/208219264.db2.gz CPOFFHCECBPJBU-CQSZACIVSA-N 1 1 392.887 3.671 50 0 GHAAMO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2nc(C)no2)C1 ZINC000095520558 208219269 /nfs/dbraw/zinc/21/92/69/208219269.db2.gz CPOFFHCECBPJBU-CQSZACIVSA-N 1 1 392.887 3.671 50 0 GHAAMO Cc1[nH+]ccn1CCCNC(=O)C[C@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000095530743 208230141 /nfs/dbraw/zinc/23/01/41/208230141.db2.gz XQZPFGMRCKKGQS-HXUWFJFHSA-N 1 1 391.471 3.649 50 0 GHAAMO CC[NH+](CC)CCCC1CCN(CC(=O)N[C@H](C)c2ccccc2OC)CC1 ZINC000096007904 208252468 /nfs/dbraw/zinc/25/24/68/208252468.db2.gz ZVQGJGNESRDJQM-LJQANCHMSA-N 1 1 389.584 3.706 50 0 GHAAMO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3nc(C(=O)OC)co3)CC2)C1 ZINC000096130999 208266219 /nfs/dbraw/zinc/26/62/19/208266219.db2.gz YARYBQYNCLUYOS-IBGZPJMESA-N 1 1 397.519 3.553 50 0 GHAAMO CCCc1ncncc1C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C)C2 ZINC000096133594 208268598 /nfs/dbraw/zinc/26/85/98/208268598.db2.gz FWNXKFCVWBMWLG-HXUWFJFHSA-N 1 1 392.547 3.771 50 0 GHAAMO C[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ncc(F)cc3F)CC2)C1 ZINC000096139143 208268866 /nfs/dbraw/zinc/26/88/66/208268866.db2.gz WPZOOFWPIAEMRL-QGZVFWFLSA-N 1 1 385.458 3.702 50 0 GHAAMO CCCc1nnsc1C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C)C2 ZINC000096139304 208270811 /nfs/dbraw/zinc/27/08/11/208270811.db2.gz CRVPBPSTXRPADN-GOSISDBHSA-N 1 1 398.576 3.832 50 0 GHAAMO COc1cccc(NC(=O)c2[nH]c3cc(C)sc3c2C[NH+]2CCOCC2)c1 ZINC000096363792 208309772 /nfs/dbraw/zinc/30/97/72/208309772.db2.gz NOAWUQGTPGBLHR-UHFFFAOYSA-N 1 1 385.489 3.631 50 0 GHAAMO CC[C@H](C)Oc1ccccc1NC(=O)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000096165113 208281160 /nfs/dbraw/zinc/28/11/60/208281160.db2.gz KYMHLOMEIPPBLT-SFHVURJKSA-N 1 1 382.508 3.999 50 0 GHAAMO CC[C@H](C)Oc1ccccc1NC(=O)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000096165113 208281164 /nfs/dbraw/zinc/28/11/64/208281164.db2.gz KYMHLOMEIPPBLT-SFHVURJKSA-N 1 1 382.508 3.999 50 0 GHAAMO CC[C@@H](C)Oc1ccccc1NC(=O)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000096165112 208281985 /nfs/dbraw/zinc/28/19/85/208281985.db2.gz KYMHLOMEIPPBLT-GOSISDBHSA-N 1 1 382.508 3.999 50 0 GHAAMO CC[C@@H](C)Oc1ccccc1NC(=O)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000096165112 208281991 /nfs/dbraw/zinc/28/19/91/208281991.db2.gz KYMHLOMEIPPBLT-GOSISDBHSA-N 1 1 382.508 3.999 50 0 GHAAMO CCCc1cc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)n(C)n1 ZINC000096180059 208284601 /nfs/dbraw/zinc/28/46/01/208284601.db2.gz CYAUEUAPGKKTKR-HXUWFJFHSA-N 1 1 394.563 3.714 50 0 GHAAMO Cc1nc2cc(NC(=O)c3cc(-c4ccco4)n[nH]3)ccc2n1CCC[NH+](C)C ZINC000096223579 208288217 /nfs/dbraw/zinc/28/82/17/208288217.db2.gz LYXSDRLMAKWKTJ-UHFFFAOYSA-N 1 1 392.463 3.532 50 0 GHAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2c[nH]c3ccccc32)c2ccc(Cl)nc2)CC1 ZINC000096290580 208302140 /nfs/dbraw/zinc/30/21/40/208302140.db2.gz AXRHFBKWNUDRIB-GOSISDBHSA-N 1 1 396.922 3.902 50 0 GHAAMO O=C(/C=C\c1ccc(Br)cc1)NCC[N@H+]1CCc2ccccc2C1 ZINC000097026444 208334149 /nfs/dbraw/zinc/33/41/49/208334149.db2.gz OBFJGJXVGQBDRK-YFHOEESVSA-N 1 1 385.305 3.637 50 0 GHAAMO CC(C)c1[nH+]ccn1CC1CCN(C(=O)c2cc(-c3ccccc3)nn2C)CC1 ZINC000062129984 209002861 /nfs/dbraw/zinc/00/28/61/209002861.db2.gz IHORCJYJFULHLM-UHFFFAOYSA-N 1 1 391.519 3.959 50 0 GHAAMO CC(C)c1[nH+]ccn1CC1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000062129987 209002991 /nfs/dbraw/zinc/00/29/91/209002991.db2.gz WJJBTIPXGRNIBI-UHFFFAOYSA-N 1 1 391.313 3.716 50 0 GHAAMO CC1(C)C[N@H+](CC(=O)NCCc2nc3ccccc3s2)CC[C@H]1C(F)(F)F ZINC000241810037 209019681 /nfs/dbraw/zinc/01/96/81/209019681.db2.gz SCOWZIJHRAUONF-OAHLLOKOSA-N 1 1 399.482 3.865 50 0 GHAAMO CC1(C)C[N@@H+](CC(=O)NCCc2nc3ccccc3s2)CC[C@H]1C(F)(F)F ZINC000241810037 209019685 /nfs/dbraw/zinc/01/96/85/209019685.db2.gz SCOWZIJHRAUONF-OAHLLOKOSA-N 1 1 399.482 3.865 50 0 GHAAMO COC(=O)c1ccc(CN2CC[N@@H+](CC[C@H](C)c3ccc(C)o3)CCC2=O)cc1 ZINC000299775043 209087177 /nfs/dbraw/zinc/08/71/77/209087177.db2.gz JTDPKUAORRIJNP-KRWDZBQOSA-N 1 1 398.503 3.603 50 0 GHAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(C(=O)c3ccsc3)C2)cc1OC ZINC000015063571 221327838 /nfs/dbraw/zinc/32/78/38/221327838.db2.gz MQKPRGUQZLBSRE-GOSISDBHSA-N 1 1 388.533 3.544 50 0 GHAAMO c1cc(C[NH+]2CCN(c3ncnc4sc5c(c43)CCCCC5)CC2)ccn1 ZINC000058170515 136154870 /nfs/dbraw/zinc/15/48/70/136154870.db2.gz PVEIKQKNFXUCQO-UHFFFAOYSA-N 1 1 379.533 3.677 50 0 GHAAMO CCCc1cc(N2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)nc(C)[nH+]1 ZINC000091657122 136176939 /nfs/dbraw/zinc/17/69/39/136176939.db2.gz OXDCWBMLEZXGRA-UHFFFAOYSA-N 1 1 393.535 3.542 50 0 GHAAMO Cc1cc(N2CCC(NC(=O)Nc3cc(-c4ccccc4)on3)CC2)nc(C)[nH+]1 ZINC000127220884 136192423 /nfs/dbraw/zinc/19/24/23/136192423.db2.gz BMSIJFUBZHBIJB-UHFFFAOYSA-N 1 1 392.463 3.539 50 0 GHAAMO O=C(c1cccc(-c2ccccc2F)c1)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000299759332 209082094 /nfs/dbraw/zinc/08/20/94/209082094.db2.gz GFEZKODMUQKZKQ-HXUWFJFHSA-N 1 1 382.479 3.554 50 0 GHAAMO CCCc1nnsc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000426699914 528780253 /nfs/dbraw/zinc/78/02/53/528780253.db2.gz KCBKEKNIJMQAFE-QFIPXVFZSA-N 1 1 398.576 3.661 50 0 GHAAMO CCc1cc2c(C[N@@H+](CC)C[C@H]3COc4ccccc4O3)cc(=O)oc2cc1O ZINC000012803241 570220969 /nfs/dbraw/zinc/22/09/69/570220969.db2.gz GYBAOZHXMRDMAG-KRWDZBQOSA-N 1 1 395.455 3.723 50 0 GHAAMO CC[C@@H](CNC(=O)Nc1cccnc1N1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000048237841 570222801 /nfs/dbraw/zinc/22/28/01/570222801.db2.gz XEHOENYWUJSWFA-FQEVSTJZSA-N 1 1 393.535 3.640 50 0 GHAAMO Cc1nn(C)c(C)c1CCC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048331575 570238440 /nfs/dbraw/zinc/23/84/40/570238440.db2.gz RTSLENBSLWHMBZ-HDICACEKSA-N 1 1 396.579 3.764 50 0 GHAAMO O=C(C[N@H+](Cc1ccco1)C1CCCC1)Nc1ccccc1C(=O)NC1CC1 ZINC000048369041 570248510 /nfs/dbraw/zinc/24/85/10/570248510.db2.gz CRBQLVYCLKPMNM-UHFFFAOYSA-N 1 1 381.476 3.555 50 0 GHAAMO O=C(C[N@@H+](Cc1ccco1)C1CCCC1)Nc1ccccc1C(=O)NC1CC1 ZINC000048369041 570248515 /nfs/dbraw/zinc/24/85/15/570248515.db2.gz CRBQLVYCLKPMNM-UHFFFAOYSA-N 1 1 381.476 3.555 50 0 GHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000049581070 570271052 /nfs/dbraw/zinc/27/10/52/570271052.db2.gz SUUXLLBBSOHMBH-MSOLQXFVSA-N 1 1 381.524 3.655 50 0 GHAAMO COc1ccc(C(=O)NC[C@H](c2cccn2C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000021151419 570292106 /nfs/dbraw/zinc/29/21/06/570292106.db2.gz QAFOHXAZCCRXEE-HSZRJFAPSA-N 1 1 389.499 3.563 50 0 GHAAMO COc1ccc(C(=O)NC[C@H](c2cccn2C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000021151419 570292108 /nfs/dbraw/zinc/29/21/08/570292108.db2.gz QAFOHXAZCCRXEE-HSZRJFAPSA-N 1 1 389.499 3.563 50 0 GHAAMO COc1cc(OC)c(C[NH+]2CCC(Oc3ccccc3F)CC2)c(OC)c1 ZINC000215841914 570292370 /nfs/dbraw/zinc/29/23/70/570292370.db2.gz SHQRTSUKVDOLSF-UHFFFAOYSA-N 1 1 375.440 3.895 50 0 GHAAMO CC(C)(C)C(=O)Nc1ccc(N2CCC[N@@H+](Cc3ccccc3F)CC2)nc1 ZINC000034681847 570300058 /nfs/dbraw/zinc/30/00/58/570300058.db2.gz FRSMGZSVMMWSDC-UHFFFAOYSA-N 1 1 384.499 3.918 50 0 GHAAMO CC(C)[C@@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000012328491 570315723 /nfs/dbraw/zinc/31/57/23/570315723.db2.gz POKBRWPJRQRDNJ-NZQKXSOJSA-N 1 1 393.531 3.851 50 0 GHAAMO O=C1NC2(CC[NH+](Cc3ccccc3Cl)CC2)N=C1c1ccc(Cl)cc1 ZINC000035430855 570357451 /nfs/dbraw/zinc/35/74/51/570357451.db2.gz ITYNGFXZMDZNLR-UHFFFAOYSA-N 1 1 388.298 3.905 50 0 GHAAMO O=C1C[C@H]([NH+]2CCC(CCc3ccccc3F)CC2)C(=O)N1c1ccc(F)cc1 ZINC000004772634 570404691 /nfs/dbraw/zinc/40/46/91/570404691.db2.gz XLDZHNJQBGAPOB-NRFANRHFSA-N 1 1 398.453 3.942 50 0 GHAAMO COc1ccc(CC[N@@H+](C)C[C@H](O)CO[C@H]2CCCc3ccccc32)cc1OC ZINC000241965572 570431890 /nfs/dbraw/zinc/43/18/90/570431890.db2.gz UTXJDGSIRZYDJO-UNMCSNQZSA-N 1 1 399.531 3.633 50 0 GHAAMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)NC(=O)NCCc1cccs1 ZINC000046586846 570449969 /nfs/dbraw/zinc/44/99/69/570449969.db2.gz GYCMKHXEZLLRSZ-CQSZACIVSA-N 1 1 385.489 3.556 50 0 GHAAMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)NC(=O)NCCc1cccs1 ZINC000046586846 570449973 /nfs/dbraw/zinc/44/99/73/570449973.db2.gz GYCMKHXEZLLRSZ-CQSZACIVSA-N 1 1 385.489 3.556 50 0 GHAAMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)c1 ZINC000029488234 570474837 /nfs/dbraw/zinc/47/48/37/570474837.db2.gz FQSOHQQSXKRCFU-NRFANRHFSA-N 1 1 379.504 3.726 50 0 GHAAMO COc1ccc(OCC[N@@H+]2CC=C(c3c(OC)cc(OC)cc3OC)CC2)cc1 ZINC000011060808 570480295 /nfs/dbraw/zinc/48/02/95/570480295.db2.gz NGYRHEDXHMNRTJ-UHFFFAOYSA-N 1 1 399.487 3.889 50 0 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399.485 3.807 50 0 GHAAMO O=C(CCc1ccncc1)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000012302218 570637030 /nfs/dbraw/zinc/63/70/30/570637030.db2.gz UUOXRKASSGGJQS-QHCPKHFHSA-N 1 1 399.485 3.807 50 0 GHAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)Cc1cccnc1 ZINC000012305707 570638688 /nfs/dbraw/zinc/63/86/88/570638688.db2.gz FDYKQJXGDAMZHU-OAQYLSRUSA-N 1 1 383.511 3.566 50 0 GHAAMO CCc1ccc(-c2cn3c(C(=O)N4CC[N@H+]5CCC[C@@H]5C4)csc3n2)cc1 ZINC000012305946 570638868 /nfs/dbraw/zinc/63/88/68/570638868.db2.gz DRTZJINSBOZXMI-QGZVFWFLSA-N 1 1 380.517 3.545 50 0 GHAAMO Cc1nc2sccn2c1C(=O)N[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012306697 570639480 /nfs/dbraw/zinc/63/94/80/570639480.db2.gz JDCVUQAMXUGTTA-GOSISDBHSA-N 1 1 382.533 3.531 50 0 GHAAMO COC(=O)Nc1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000072313588 570651768 /nfs/dbraw/zinc/65/17/68/570651768.db2.gz AYRJCXLMOMJKGR-MRXNPFEDSA-N 1 1 382.464 3.603 50 0 GHAAMO COC(=O)Nc1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 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COc1cc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1O ZINC000055543104 570696284 /nfs/dbraw/zinc/69/62/84/570696284.db2.gz IEVCXVCVSZYOSW-UHFFFAOYSA-N 1 1 396.409 3.750 50 0 GHAAMO CCC[NH+]1CCN(C(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)CC1 ZINC000058140371 570710521 /nfs/dbraw/zinc/71/05/21/570710521.db2.gz FBALSECMBBXQTF-UHFFFAOYSA-N 1 1 395.334 3.714 50 0 GHAAMO Cc1csc(SCC(=O)N[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)n1 ZINC000012762291 570711063 /nfs/dbraw/zinc/71/10/63/570711063.db2.gz ADIANNWZRIGMAQ-SFHVURJKSA-N 1 1 389.590 3.757 50 0 GHAAMO COc1cc(C[N@H+](C)CC(=O)N[C@@H](C)c2ccccc2)ccc1OC(F)F ZINC000007976970 570711618 /nfs/dbraw/zinc/71/16/18/570711618.db2.gz YVFNOAJQEOOENY-AWEZNQCLSA-N 1 1 378.419 3.606 50 0 GHAAMO COc1cc(C[N@@H+](C)CC(=O)N[C@@H](C)c2ccccc2)ccc1OC(F)F ZINC000007976970 570711621 /nfs/dbraw/zinc/71/16/21/570711621.db2.gz YVFNOAJQEOOENY-AWEZNQCLSA-N 1 1 378.419 3.606 50 0 GHAAMO CNC(=O)c1ccc(NC(=O)C[N@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000012795491 570715764 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CCSC[C@H]1CCC[N@H+]1C1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000206793003 570752720 /nfs/dbraw/zinc/75/27/20/570752720.db2.gz XBZDHWIJFYIZOT-QGZVFWFLSA-N 1 1 391.537 3.629 50 0 GHAAMO Cc1[nH+]ccn1CCN(C)c1ncc(-c2cncnc2)c(-c2ccc(C)cc2)n1 ZINC000065381954 570763106 /nfs/dbraw/zinc/76/31/06/570763106.db2.gz CSGHXDZHLHKXRO-UHFFFAOYSA-N 1 1 385.475 3.550 50 0 GHAAMO Cc1noc2nc(-c3ccc(Cl)cc3)cc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)c12 ZINC000013642205 570766134 /nfs/dbraw/zinc/76/61/34/570766134.db2.gz ORTYBRSSOJXZFX-INIZCTEOSA-N 1 1 396.878 3.772 50 0 GHAAMO Cc1cnn(C)c1NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2nccs2)cc1 ZINC000065398335 570766214 /nfs/dbraw/zinc/76/62/14/570766214.db2.gz NLHXFBZWBOMBDN-KRWDZBQOSA-N 1 1 381.505 3.774 50 0 GHAAMO Cc1cnn(C)c1NC(=O)c1ccc(C[N@H+]2CCC[C@H]2c2nccs2)cc1 ZINC000065398335 570766217 /nfs/dbraw/zinc/76/62/17/570766217.db2.gz NLHXFBZWBOMBDN-KRWDZBQOSA-N 1 1 381.505 3.774 50 0 GHAAMO C[N@@H+](Cc1ccc(C(=O)Nc2ccc(CO)cc2)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000065534966 570772774 /nfs/dbraw/zinc/77/27/74/570772774.db2.gz BFLJSJAZNREKBG-OAQYLSRUSA-N 1 1 382.504 3.821 50 0 GHAAMO O=C(C[C@H](c1ccsc1)n1cccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000524735419 570774091 /nfs/dbraw/zinc/77/40/91/570774091.db2.gz BEBMXOPDDDQUQS-OAQYLSRUSA-N 1 1 379.529 3.874 50 0 GHAAMO CCc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2c(Cl)n(C)nc2-c2cc(C)on2)C1 ZINC000067542173 570781397 /nfs/dbraw/zinc/78/13/97/570781397.db2.gz YDNICIQPOAVDCF-CQSZACIVSA-N 1 1 388.903 3.702 50 0 GHAAMO Cn1cc(C[NH+]2CCN(C(=O)Nc3ccc(F)cc3F)CC2)c2ccccc21 ZINC000065330061 570800952 /nfs/dbraw/zinc/80/09/52/570800952.db2.gz IBAGHFGQYXUZHP-UHFFFAOYSA-N 1 1 384.430 3.806 50 0 GHAAMO COc1ccc2nc3oc(C(=O)NCCC[N@H+]4CCC[C@@H](C)C4)cc3cc2c1 ZINC000065331043 570801486 /nfs/dbraw/zinc/80/14/86/570801486.db2.gz WQRVKEPYRYZXPE-OAHLLOKOSA-N 1 1 381.476 3.841 50 0 GHAAMO COc1ccc2nc3oc(C(=O)NCCC[N@H+]4CCC[C@H](C)C4)cc3cc2c1 ZINC000065331044 570801514 /nfs/dbraw/zinc/80/15/14/570801514.db2.gz WQRVKEPYRYZXPE-HNNXBMFYSA-N 1 1 381.476 3.841 50 0 GHAAMO CCOC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000032769211 570803865 /nfs/dbraw/zinc/80/38/65/570803865.db2.gz KJQMBEWMROVVRJ-SJLPKXTDSA-N 1 1 375.490 3.502 50 0 GHAAMO O=C(CCCCc1ccc(Br)cc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000065613536 570842606 /nfs/dbraw/zinc/84/26/06/570842606.db2.gz JBZNGGPHYGITPM-SFHVURJKSA-N 1 1 379.342 3.859 50 0 GHAAMO Cc1c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cnn1-c1cccc(C(F)(F)F)c1 ZINC000060567603 570855347 /nfs/dbraw/zinc/85/53/47/570855347.db2.gz ZEOBAGUPIGSBKK-ROUUACIJSA-N 1 1 392.425 3.556 50 0 GHAAMO CSc1ccc(C[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 ZINC000007495830 570856536 /nfs/dbraw/zinc/85/65/36/570856536.db2.gz LYWZDLZGALEWHE-HNNXBMFYSA-N 1 1 383.517 3.604 50 0 GHAAMO CSc1ccc(C[N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 ZINC000007495830 570856538 /nfs/dbraw/zinc/85/65/38/570856538.db2.gz LYWZDLZGALEWHE-HNNXBMFYSA-N 1 1 383.517 3.604 50 0 GHAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000103972905 570892319 /nfs/dbraw/zinc/89/23/19/570892319.db2.gz YLSGMJZIEQVVCE-QRWLVFNGSA-N 1 1 386.467 3.857 50 0 GHAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000103972905 570892320 /nfs/dbraw/zinc/89/23/20/570892320.db2.gz YLSGMJZIEQVVCE-QRWLVFNGSA-N 1 1 386.467 3.857 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803366 570918059 /nfs/dbraw/zinc/91/80/59/570918059.db2.gz GLCKDGRVVUHGKI-OXJNMPFZSA-N 1 1 385.533 3.749 50 0 GHAAMO CC[NH+](CC)[C@H](C(=O)NCCCn1ccnc1)c1cc(Cl)cc(Cl)c1 ZINC000089967850 570922269 /nfs/dbraw/zinc/92/22/69/570922269.db2.gz GOKJCOIBBIYEIK-KRWDZBQOSA-N 1 1 383.323 3.779 50 0 GHAAMO COc1c2c(cc3c1[C@@H](C[C@H](OC(C)=O)c1ccccc1)[N@@H+](C)CC3)OCO2 ZINC000002087396 570937775 /nfs/dbraw/zinc/93/77/75/570937775.db2.gz HOJWQTIDNXZUOL-MSOLQXFVSA-N 1 1 383.444 3.647 50 0 biogenic GHAAMO Cc1c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cnn1-c1cccc(C(F)(F)F)c1 ZINC000046993003 570938145 /nfs/dbraw/zinc/93/81/45/570938145.db2.gz ZEOBAGUPIGSBKK-ZWKOTPCHSA-N 1 1 392.425 3.556 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000252444217 570957125 /nfs/dbraw/zinc/95/71/25/570957125.db2.gz SSEJRHGWAKHJNH-LPHOPBHVSA-N 1 1 385.533 3.749 50 0 GHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc3ccc(F)cc3nc2C)CC1 ZINC000012733385 570977359 /nfs/dbraw/zinc/97/73/59/570977359.db2.gz GWZMUMVQBPXIJO-UHFFFAOYSA-N 1 1 377.463 3.949 50 0 GHAAMO C[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000252504466 570977923 /nfs/dbraw/zinc/97/79/23/570977923.db2.gz CBECBVPLNIGGLQ-STZQEDGTSA-N 1 1 386.584 3.632 50 0 GHAAMO C[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C[N@@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000252504466 570977925 /nfs/dbraw/zinc/97/79/25/570977925.db2.gz CBECBVPLNIGGLQ-STZQEDGTSA-N 1 1 386.584 3.632 50 0 GHAAMO FC(F)Oc1ccc(NC(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000023211680 570979856 /nfs/dbraw/zinc/97/98/56/570979856.db2.gz KVFRNVSKTWFZLZ-UHFFFAOYSA-N 1 1 377.460 3.803 50 0 GHAAMO COc1ccc2[nH]cc(C3=CC[N@H+](CC(=O)N(C)Cc4ccccc4)CC3)c2c1 ZINC000053055545 570981047 /nfs/dbraw/zinc/98/10/47/570981047.db2.gz YQRPHYISISDBAU-UHFFFAOYSA-N 1 1 389.499 3.924 50 0 GHAAMO COc1ccc2[nH]cc(C3=CC[N@@H+](CC(=O)N(C)Cc4ccccc4)CC3)c2c1 ZINC000053055545 570981052 /nfs/dbraw/zinc/98/10/52/570981052.db2.gz YQRPHYISISDBAU-UHFFFAOYSA-N 1 1 389.499 3.924 50 0 GHAAMO Cc1cccc(N2CCC(NC(=O)c3ccn(-c4cccc(Cl)c4)n3)CC2)[nH+]1 ZINC000116669151 835683421 /nfs/dbraw/zinc/68/34/21/835683421.db2.gz SPQBCSOJXDSMMX-UHFFFAOYSA-N 1 1 395.894 3.628 50 0 GHAAMO CCC[N@@H+](Cc1cnn(CC(F)F)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000295453376 838372213 /nfs/dbraw/zinc/37/22/13/838372213.db2.gz VHVNENZNWHGJQQ-UHFFFAOYSA-N 1 1 390.478 3.665 50 0 GHAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cccc4nccnc34)C2)cc1OC ZINC000019885177 839871644 /nfs/dbraw/zinc/87/16/44/839871644.db2.gz ISSWGQQLPJSTMK-SFHVURJKSA-N 1 1 391.471 3.742 50 0 GHAAMO CSCC[NH+]1CCN(C(=O)N[C@@H](c2cccs2)c2ccccc2C)CC1 ZINC000584884560 841159978 /nfs/dbraw/zinc/15/99/78/841159978.db2.gz YZGGVEVWKHLQOY-LJQANCHMSA-N 1 1 389.590 3.836 50 0 GHAAMO CCOC(=O)/C=C/c1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000061354106 861415087 /nfs/dbraw/zinc/41/50/87/861415087.db2.gz PWGJBUWGFREVIM-LVMGUKCRSA-N 1 1 387.524 3.897 50 0 GHAAMO Cc1nc(CN(C)[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3Cl)CC2)no1 ZINC000585084990 844792570 /nfs/dbraw/zinc/79/25/70/844792570.db2.gz FBAKZABKZUVAKJ-QGZVFWFLSA-N 1 1 380.895 3.700 50 0 GHAAMO COc1c2c(cc3c1[C@@H](C[C@@H](OC(C)=O)c1ccccc1)[N@@H+](C)CC3)OCO2 ZINC000004029528 862722382 /nfs/dbraw/zinc/72/23/82/862722382.db2.gz HOJWQTIDNXZUOL-QZTJIDSGSA-N 1 1 383.444 3.647 50 0 biogenic GHAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCc2cscn2)cc1 ZINC000008193094 856055491 /nfs/dbraw/zinc/05/54/91/856055491.db2.gz UWJCTUKSLCFBGA-LJQANCHMSA-N 1 1 393.512 3.726 50 0 GHAAMO O=C(C[N@H+]1CC[C@H]2CCCC[C@@H]2C1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000008267121 856090163 /nfs/dbraw/zinc/09/01/63/856090163.db2.gz IOJAONLESJWQFQ-QZTJIDSGSA-N 1 1 383.536 3.810 50 0 GHAAMO Cc1[nH+]ccn1CCCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 ZINC000067700841 856318253 /nfs/dbraw/zinc/31/82/53/856318253.db2.gz NWVNOXDKTXYFGJ-UHFFFAOYSA-N 1 1 397.866 3.911 50 0 GHAAMO O=S(=O)(Cc1cccc(Cl)c1)NC[C@@H](c1ccsc1)[NH+]1CCCC1 ZINC000008900248 856640195 /nfs/dbraw/zinc/64/01/95/856640195.db2.gz MATBCTFJGZGBTH-KRWDZBQOSA-N 1 1 384.954 3.658 50 0 GHAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)C[C@@H](C)c3ccccc3)cc2)CC1 ZINC000040115646 856668897 /nfs/dbraw/zinc/66/88/97/856668897.db2.gz XVPHGNOLEICKIB-HXUWFJFHSA-N 1 1 379.548 3.634 50 0 GHAAMO COC(=O)c1ccc(C[NH+]2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)o1 ZINC000070641643 857241091 /nfs/dbraw/zinc/24/10/91/857241091.db2.gz POHRNGFGMOOLGB-UHFFFAOYSA-N 1 1 385.395 3.635 50 0 GHAAMO O=C(C(=O)N1CCC([C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1)c1ccccc1 ZINC000011818014 857429331 /nfs/dbraw/zinc/42/93/31/857429331.db2.gz NJFDWOTUIZBTCQ-HSZRJFAPSA-N 1 1 390.527 3.673 50 0 GHAAMO COc1ccccc1CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C[C@@H]2CC=CCC2)C1 ZINC000011911098 857985170 /nfs/dbraw/zinc/98/51/70/857985170.db2.gz TUAKRZAWKQKAJT-CEMLEFRQSA-N 1 1 382.548 3.907 50 0 GHAAMO O=C(CCc1ccncc1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1F)C2 ZINC000012305682 859187754 /nfs/dbraw/zinc/18/77/54/859187754.db2.gz WJIPUYIGPYYPKN-HSZRJFAPSA-N 1 1 381.495 3.668 50 0 GHAAMO CC(C)(C)n1cc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cn1 ZINC000374816863 859500250 /nfs/dbraw/zinc/50/02/50/859500250.db2.gz GXSVNXGLQBYNDO-SFHVURJKSA-N 1 1 398.555 3.870 50 0 GHAAMO COc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3cccn3-c3cccnc3)C2)c1 ZINC000012303620 859830646 /nfs/dbraw/zinc/83/06/46/859830646.db2.gz NYMFQKAPKKMSEB-IBGZPJMESA-N 1 1 375.472 3.976 50 0 GHAAMO Cn1ncc(C2CC2)c1C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000612848667 859889548 /nfs/dbraw/zinc/88/95/48/859889548.db2.gz HRMLMWPQPKTDMG-UHFFFAOYSA-N 1 1 398.510 3.825 50 0 GHAAMO CC(C)(C)c1ccc(OCC(=O)N2CCC[N@H+](C3CCSCC3)CC2)cc1 ZINC000618256803 859971658 /nfs/dbraw/zinc/97/16/58/859971658.db2.gz XIZCCYJQKMDVDO-UHFFFAOYSA-N 1 1 390.593 3.793 50 0 GHAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+](C)Cc1cccc(Cl)c1 ZINC000007916942 860362446 /nfs/dbraw/zinc/36/24/46/860362446.db2.gz FZGKQWFXDZSYSU-INIZCTEOSA-N 1 1 387.911 3.532 50 0 GHAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000007916942 860362450 /nfs/dbraw/zinc/36/24/50/860362450.db2.gz FZGKQWFXDZSYSU-INIZCTEOSA-N 1 1 387.911 3.532 50 0 GHAAMO O[C@H](c1ccc(Br)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020792217 860645259 /nfs/dbraw/zinc/64/52/59/860645259.db2.gz RLTKQSKRESYILF-RTBURBONSA-N 1 1 376.294 3.599 50 0 GHAAMO CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000012387745 861101483 /nfs/dbraw/zinc/10/14/83/861101483.db2.gz AWXOUFDQYDFVAO-OAQYLSRUSA-N 1 1 380.492 3.803 50 0 GHAAMO CCc1ccc(C[N@H+]2CCC[C@H](CNC(=O)Cn3c(C)nc4ccccc43)C2)o1 ZINC000823527597 863122020 /nfs/dbraw/zinc/12/20/20/863122020.db2.gz MVCIJOFPBQFPTG-GOSISDBHSA-N 1 1 394.519 3.529 50 0 GHAAMO O=C(Cc1[nH]nc2ccccc21)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000827857609 865138123 /nfs/dbraw/zinc/13/81/23/865138123.db2.gz DKCNGIQWKLBPAK-QFIPXVFZSA-N 1 1 376.504 3.839 50 0 GHAAMO Cc1cccc(C[N@H+]2CCC[C@@H](c3nc(CCOCC4CCOCC4)no3)C2)c1 ZINC000581821924 870054629 /nfs/dbraw/zinc/05/46/29/870054629.db2.gz NAYAUDWYSRURKZ-OAQYLSRUSA-N 1 1 399.535 3.743 50 0 GHAAMO Cc1nc(-c2cc3c(s2)CC[N@@H+](C[C@@H](O)COCc2ccco2)C3)cs1 ZINC000180876393 879439177 /nfs/dbraw/zinc/43/91/77/879439177.db2.gz ZLPPEZCIFJDLJQ-OAHLLOKOSA-N 1 1 390.530 3.709 50 0 GHAAMO COc1ccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@]34CCOC4)n2)cc1 ZINC000874434529 883998931 /nfs/dbraw/zinc/99/89/31/883998931.db2.gz SRXVZCLKNNPYDL-REWPJTCUSA-N 1 1 391.471 3.751 50 0 GHAAMO CC[N@H+]1CCCC[C@@H]1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000104317537 904570671 /nfs/dbraw/zinc/57/06/71/904570671.db2.gz QVBRSUBKBMNDHQ-GOSISDBHSA-N 1 1 398.469 3.744 50 0 GHAAMO FC(F)(F)c1ccc(OCC[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000107298832 906383399 /nfs/dbraw/zinc/38/33/99/906383399.db2.gz MKHRIUYNMFRTTH-AWEZNQCLSA-N 1 1 380.414 3.502 50 0 GHAAMO CC(C)c1csc([C@@H]2CCC[N@H+](Cc3nc4ccccc4c(=O)n3C)C2)n1 ZINC000127805469 918286571 /nfs/dbraw/zinc/28/65/71/918286571.db2.gz FUOSICVOCMQINE-OAHLLOKOSA-N 1 1 382.533 3.893 50 0 GHAAMO CC(C)c1csc([C@@H]2CCC[N@@H+](Cc3nc4ccccc4c(=O)n3C)C2)n1 ZINC000127805469 918286579 /nfs/dbraw/zinc/28/65/79/918286579.db2.gz FUOSICVOCMQINE-OAHLLOKOSA-N 1 1 382.533 3.893 50 0 GHAAMO COc1ccc(CN2C[C@@H]3C[C@@H](c4cccc(F)c4F)[N@@H+]4CCC[C@@]34C2=O)cc1 ZINC000012711647 919299329 /nfs/dbraw/zinc/29/93/29/919299329.db2.gz YYHYVESGPCKQAG-GRWTVWFQSA-N 1 1 398.453 3.911 50 0 GHAAMO COc1ccc(CN2C[C@@H]3C[C@@H](c4cccc(F)c4F)[N@H+]4CCC[C@@]34C2=O)cc1 ZINC000012711647 919299342 /nfs/dbraw/zinc/29/93/42/919299342.db2.gz YYHYVESGPCKQAG-GRWTVWFQSA-N 1 1 398.453 3.911 50 0 GHAAMO Cc1nc(CC(=O)N2CCC[C@@H]3C[N@@H+](CCCc4ccccc4)CC[C@@H]32)cs1 ZINC000019301001 919575630 /nfs/dbraw/zinc/57/56/30/919575630.db2.gz CUYIJAWVTPGYNW-IRLDBZIGSA-N 1 1 397.588 3.940 50 0 GHAAMO COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000131838403 924152985 /nfs/dbraw/zinc/15/29/85/924152985.db2.gz ZMGWSXWYHJKXDW-OAQYLSRUSA-N 1 1 378.476 3.740 50 0 GHAAMO COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000131838403 924152994 /nfs/dbraw/zinc/15/29/94/924152994.db2.gz ZMGWSXWYHJKXDW-OAQYLSRUSA-N 1 1 378.476 3.740 50 0 GHAAMO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C(C)C)CC23CCCCC3)c(C)c1 ZINC000409420752 1031405293 /nfs/dbraw/zinc/40/52/93/1031405293.db2.gz PVXXYHAQCHTAMV-LJQANCHMSA-N 1 1 378.582 3.872 50 0 GHAAMO CCn1nc(C)c(C[N@H+]2CC[C@]3(OC)CC[C@H](Oc4ccccn4)C[C@H]23)c1C ZINC000426401900 231214943 /nfs/dbraw/zinc/21/49/43/231214943.db2.gz OXUCXHPWQUDWNF-RCZSKKKRSA-N 1 1 384.524 3.506 50 0 GHAAMO CCn1cc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3OC)C2)c(C)n1 ZINC000426376371 231209238 /nfs/dbraw/zinc/20/92/38/231209238.db2.gz MVPDBTBKIVHCGH-FQEVSTJZSA-N 1 1 384.568 3.607 50 0 GHAAMO 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375.457 3.839 50 0 GHAAMO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000007780515 571037726 /nfs/dbraw/zinc/03/77/26/571037726.db2.gz DBTMAMWNRCJJCX-KRWDZBQOSA-N 1 1 398.894 3.994 50 0 GHAAMO Cc1c[nH+]c(C[C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)C2)n1C(C)C ZINC000581805574 837695719 /nfs/dbraw/zinc/69/57/19/837695719.db2.gz CMNYXELIRRPWSI-KRWDZBQOSA-N 1 1 387.549 3.514 50 0 GHAAMO O=C(c1ccc(OC(F)(F)F)cc1)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225685396 861249872 /nfs/dbraw/zinc/24/98/72/861249872.db2.gz WFCKNWFLOUCVOY-SFHVURJKSA-N 1 1 390.405 3.858 50 0 GHAAMO OCC[C@H]1C[N@H+](C2C3CC4CC(C3)CC2C4)CCN1CCCc1ccccc1 ZINC000022926140 847232611 /nfs/dbraw/zinc/23/26/11/847232611.db2.gz FKNZXCZEEYPEQO-YGLAMEDYSA-N 1 1 382.592 3.813 50 0 GHAAMO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](C)c2ccccc2Br)c1 ZINC000057312359 861957524 /nfs/dbraw/zinc/95/75/24/861957524.db2.gz DBWBTDWPUIJGDT-LBPRGKRZSA-N 1 1 393.281 3.756 50 0 GHAAMO Cc1cnccc1CNC(=O)c1ccc([C@H]2CCC[N@H+]2C2CCOCC2)s1 ZINC000023214809 849147692 /nfs/dbraw/zinc/14/76/92/849147692.db2.gz CVHIZWUOBDAQAV-GOSISDBHSA-N 1 1 385.533 3.697 50 0 GHAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000057421402 862088140 /nfs/dbraw/zinc/08/81/40/862088140.db2.gz QEBZYWQOUDPXSM-CVEARBPZSA-N 1 1 387.911 3.751 50 0 GHAAMO CC[NH+]1CCN(C(=O)N[C@H](c2ccc(C)c(F)c2)C(Cl)(Cl)Cl)CC1 ZINC000057531546 862154618 /nfs/dbraw/zinc/15/46/18/862154618.db2.gz UGGVTFPKYZCPSO-CQSZACIVSA-N 1 1 396.721 3.893 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000057552577 862165675 /nfs/dbraw/zinc/16/56/75/862165675.db2.gz SCJIARQECCUUOU-AWEZNQCLSA-N 1 1 393.443 3.763 50 0 GHAAMO CCOC(=O)C1CC[NH+]([C@@H](C(=O)NC2CCCCC2)c2ccc(C)cc2)CC1 ZINC000058012643 862321787 /nfs/dbraw/zinc/32/17/87/862321787.db2.gz IOYLOXQOMZJVCF-OAQYLSRUSA-N 1 1 386.536 3.760 50 0 GHAAMO O=C1N(c2ccccc2)C[C@@H]2C[C@@H](c3cccn3-c3cccnc3)[N@H+]3CCC[C@@]123 ZINC000012448674 862405598 /nfs/dbraw/zinc/40/55/98/862405598.db2.gz KFHVOHWFUZCKSQ-OEOAZWSVSA-N 1 1 384.483 3.815 50 0 GHAAMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1C(=O)c1ccccc1 ZINC000008406520 856197444 /nfs/dbraw/zinc/19/74/44/856197444.db2.gz AQSRHQHWVWLJNN-NRFANRHFSA-N 1 1 384.479 3.922 50 0 GHAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1C(=O)c1ccccc1 ZINC000008406520 856197450 /nfs/dbraw/zinc/19/74/50/856197450.db2.gz AQSRHQHWVWLJNN-NRFANRHFSA-N 1 1 384.479 3.922 50 0 GHAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(Cl)s3)c2C(N)=O)C1 ZINC000004087203 862770231 /nfs/dbraw/zinc/77/02/31/862770231.db2.gz UZMNMRKKGLNTLA-UHFFFAOYSA-N 1 1 383.926 3.581 50 0 GHAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(Cl)s3)c2C(N)=O)C1 ZINC000004087203 862770241 /nfs/dbraw/zinc/77/02/41/862770241.db2.gz UZMNMRKKGLNTLA-UHFFFAOYSA-N 1 1 383.926 3.581 50 0 GHAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C(N)=O)C1 ZINC000004087077 862770283 /nfs/dbraw/zinc/77/02/83/862770283.db2.gz ZJXDKSAWKJFGJM-UHFFFAOYSA-N 1 1 398.315 3.784 50 0 GHAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C(N)=O)C1 ZINC000004087077 862770297 /nfs/dbraw/zinc/77/02/97/862770297.db2.gz ZJXDKSAWKJFGJM-UHFFFAOYSA-N 1 1 398.315 3.784 50 0 GHAAMO Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000040013026 856627896 /nfs/dbraw/zinc/62/78/96/856627896.db2.gz VWISOAOAQSXFOM-QFIPXVFZSA-N 1 1 382.552 3.604 50 0 GHAAMO Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000040013026 856627900 /nfs/dbraw/zinc/62/79/00/856627900.db2.gz VWISOAOAQSXFOM-QFIPXVFZSA-N 1 1 382.552 3.604 50 0 GHAAMO CC(C)(C)c1cn2nc(NCc3ccccc3C[NH+]3CCOCC3)sc2n1 ZINC000040039770 856637985 /nfs/dbraw/zinc/63/79/85/856637985.db2.gz UDYGEDIPSGNLQZ-UHFFFAOYSA-N 1 1 385.537 3.533 50 0 GHAAMO C[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)NCCc2ccccc2)C1 ZINC000008912265 856646304 /nfs/dbraw/zinc/64/63/04/856646304.db2.gz JGKRBZCHKVGYBA-UHFFFAOYSA-N 1 1 394.544 3.569 50 0 GHAAMO O=C(c1cc(COc2ccccc2)on1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000011662045 856877905 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KNJOATHEPPPLNN-UHFFFAOYSA-N 1 1 379.287 3.717 50 0 GHAAMO OCC[C@@H]1C[N@H+](Cc2cc3ccccc3[nH]2)CCN1Cc1ccc(F)c(F)c1 ZINC000020322141 207188880 /nfs/dbraw/zinc/18/88/80/207188880.db2.gz PMQVTMPRTQRIQH-LJQANCHMSA-N 1 1 385.458 3.515 50 0 GHAAMO OCC[C@@H]1C[N@@H+](Cc2cc3ccccc3[nH]2)CCN1Cc1ccc(F)c(F)c1 ZINC000020322141 207188884 /nfs/dbraw/zinc/18/88/84/207188884.db2.gz PMQVTMPRTQRIQH-LJQANCHMSA-N 1 1 385.458 3.515 50 0 GHAAMO O=C(c1nc2ccccn2c1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1)N1CCCC1 ZINC000020996814 207223487 /nfs/dbraw/zinc/22/34/87/207223487.db2.gz QUXKLBJRXOEQTN-GOSISDBHSA-N 1 1 392.478 3.699 50 0 GHAAMO COc1ccc(OC)c(C[N@@H+]2CCc3nc(Nc4ccc(F)cc4)ncc3C2)c1 ZINC000021038906 207224822 /nfs/dbraw/zinc/22/48/22/207224822.db2.gz QZXZLOQDMZKHMY-UHFFFAOYSA-N 1 1 394.450 3.935 50 0 GHAAMO COc1ccc(OC)c(C[N@H+]2CCc3nc(Nc4ccc(F)cc4)ncc3C2)c1 ZINC000021038906 207224826 /nfs/dbraw/zinc/22/48/26/207224826.db2.gz QZXZLOQDMZKHMY-UHFFFAOYSA-N 1 1 394.450 3.935 50 0 GHAAMO CC(C)[C@H](NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000022437590 207253124 /nfs/dbraw/zinc/25/31/24/207253124.db2.gz RMUDDQXNTZLGLC-QFIPXVFZSA-N 1 1 381.520 3.715 50 0 GHAAMO Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc(C(N)=O)s2)c(C)n1-c1cccnc1 ZINC000023366704 207275555 /nfs/dbraw/zinc/27/55/55/207275555.db2.gz NVKRZRJZYAZDBX-GOSISDBHSA-N 1 1 380.517 3.987 50 0 GHAAMO Cc1cc(C)n([C@H]2CC[N@H+](C3CCN(c4cccc(-c5cc[nH]n5)c4)CC3)C2)n1 ZINC000023338536 207275959 /nfs/dbraw/zinc/27/59/59/207275959.db2.gz HYVLTZKZQKANKF-QFIPXVFZSA-N 1 1 390.535 3.806 50 0 GHAAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](C[C@H](O)COC(C)(C)C)CC2 ZINC000024600999 207292718 /nfs/dbraw/zinc/29/27/18/207292718.db2.gz KTNAMCPZFFKBAY-CVDCTZTESA-N 1 1 399.531 3.827 50 0 GHAAMO CCOc1ccc(NC(=O)NCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000038572388 207310159 /nfs/dbraw/zinc/31/01/59/207310159.db2.gz UBHUWXXFFSUINO-OAQYLSRUSA-N 1 1 383.492 3.670 50 0 GHAAMO CCOc1ccc(NC(=O)NCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000038572388 207310162 /nfs/dbraw/zinc/31/01/62/207310162.db2.gz UBHUWXXFFSUINO-OAQYLSRUSA-N 1 1 383.492 3.670 50 0 GHAAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[C@@H]3c3ccncc3)cc2)C[C@@H](C)O1 ZINC000025094410 207300823 /nfs/dbraw/zinc/30/08/23/207300823.db2.gz UNUIJOJNELQMBK-JBYIUTFZSA-N 1 1 379.504 3.668 50 0 GHAAMO COc1ccc(OC[C@H](O)C[N@H+](Cc2ccco2)Cc2ccc(F)cc2)cc1 ZINC000028580907 207344861 /nfs/dbraw/zinc/34/48/61/207344861.db2.gz CCJMMUIWDDVQHQ-LJQANCHMSA-N 1 1 385.435 3.869 50 0 GHAAMO COc1ccc(OC[C@H](O)C[N@@H+](Cc2ccco2)Cc2ccc(F)cc2)cc1 ZINC000028580907 207344865 /nfs/dbraw/zinc/34/48/65/207344865.db2.gz CCJMMUIWDDVQHQ-LJQANCHMSA-N 1 1 385.435 3.869 50 0 GHAAMO Cc1ccc2c(=O)cc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)oc2c1 ZINC000028291285 207339410 /nfs/dbraw/zinc/33/94/10/207339410.db2.gz LSGCSDZPJTXHPK-INIZCTEOSA-N 1 1 382.485 3.730 50 0 GHAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(OC(F)(F)F)cc1 ZINC000032398916 207395671 /nfs/dbraw/zinc/39/56/71/207395671.db2.gz JXKBODDRBYYSCE-UHFFFAOYSA-N 1 1 378.394 3.763 50 0 GHAAMO COc1ccc(C[N@H+]2CCCC[C@H]2CCN2CCCC2=O)c(Cl)c1OC ZINC000077471479 208047406 /nfs/dbraw/zinc/04/74/06/208047406.db2.gz FMLVUXOIINUNNB-INIZCTEOSA-N 1 1 380.916 3.724 50 0 GHAAMO CC(C)CCN1C[C@]2(CCC[N@H+](Cc3nnc(-c4ccco4)o3)C2)CCC1=O ZINC000077408393 208044882 /nfs/dbraw/zinc/04/48/82/208044882.db2.gz LYZOAEBUHFAJIN-OAQYLSRUSA-N 1 1 386.496 3.580 50 0 GHAAMO CC(C)CCN1C[C@]2(CCC[N@@H+](Cc3nnc(-c4ccco4)o3)C2)CCC1=O ZINC000077408393 208044887 /nfs/dbraw/zinc/04/48/87/208044887.db2.gz LYZOAEBUHFAJIN-OAQYLSRUSA-N 1 1 386.496 3.580 50 0 GHAAMO Cc1[nH+]ccn1[C@H](C)C(=O)N1CCC(c2n[nH]cc2-c2ccccc2C)CC1 ZINC000082120434 208079789 /nfs/dbraw/zinc/07/97/89/208079789.db2.gz LZTQFNPUJJSVLQ-MRXNPFEDSA-N 1 1 377.492 3.857 50 0 GHAAMO COc1cccc(OC)c1C[N@H+]1CC[C@@]2(C1)CCCN(C1CCCCC1)C2=O ZINC000091745314 208134283 /nfs/dbraw/zinc/13/42/83/208134283.db2.gz WRFMCQAWCREVBW-HSZRJFAPSA-N 1 1 386.536 3.851 50 0 GHAAMO Cc1[nH+]ccn1CCCC(=O)N1CCC[C@](C)(Cc2ccc3c(c2)OCO3)C1 ZINC000091486992 208120045 /nfs/dbraw/zinc/12/00/45/208120045.db2.gz HVUJRLWSNDGZAM-JOCHJYFZSA-N 1 1 383.492 3.572 50 0 GHAAMO CCCn1ccnc1C[NH+]1CCC2(CC(=O)N(CCCc3ccccc3)C2)CC1 ZINC000095366700 208165110 /nfs/dbraw/zinc/16/51/10/208165110.db2.gz OIPHKZCDTXUVNW-UHFFFAOYSA-N 1 1 394.563 3.740 50 0 GHAAMO COc1cccc([C@@H](CNC(=O)c2ccc(C(C)=O)cc2F)[NH+]2CCCC2)c1 ZINC000095464464 208187499 /nfs/dbraw/zinc/18/74/99/208187499.db2.gz FSEIWBXFMNVBPN-OAQYLSRUSA-N 1 1 384.451 3.604 50 0 GHAAMO Cc1ccc([C@H](C)CC[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)o1 ZINC000095503329 208205337 /nfs/dbraw/zinc/20/53/37/208205337.db2.gz ACXINXULHXKMGY-MRXNPFEDSA-N 1 1 396.535 3.591 50 0 GHAAMO CCn1ccnc1C[NH+]1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000095528713 208226246 /nfs/dbraw/zinc/22/62/46/208226246.db2.gz ZHXUDQAGZBUDCK-UHFFFAOYSA-N 1 1 386.927 3.571 50 0 GHAAMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cnn(Cc3ccccc3)c2)C1 ZINC000095958317 208244543 /nfs/dbraw/zinc/24/45/43/208244543.db2.gz WNLNJCFMACBWIF-GOSISDBHSA-N 1 1 383.540 3.954 50 0 GHAAMO O=C1[C@H]2CC[C@H](C[N@@H+](Cc3ccc4ccccc4c3)C2)N1Cc1cscn1 ZINC000095531655 208228729 /nfs/dbraw/zinc/22/87/29/208228729.db2.gz VKCMRUQJJTXDQA-PZJWPPBQSA-N 1 1 377.513 3.919 50 0 GHAAMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cccc(C(=O)Nc4cccc(F)c4)c3)[C@@H]2C1 ZINC000095995533 208250138 /nfs/dbraw/zinc/25/01/38/208250138.db2.gz AVRMOIRYWDGVQC-MGPUTAFESA-N 1 1 396.466 3.636 50 0 GHAAMO CC(C)c1cc(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)nn1-c1ccccc1 ZINC000230206431 209006189 /nfs/dbraw/zinc/00/61/89/209006189.db2.gz DSPRTHWEBLWIDE-NQIIRXRSSA-N 1 1 380.536 3.990 50 0 biogenic GHAAMO Fc1ccc2[nH]c(C3CC[NH+](Cc4nnc(-c5cccnc5)o4)CC3)nc2c1 ZINC000244866622 209024949 /nfs/dbraw/zinc/02/49/49/209024949.db2.gz VZGRXEVJSCYXQX-UHFFFAOYSA-N 1 1 378.411 3.527 50 0 GHAAMO COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000248894934 209032803 /nfs/dbraw/zinc/03/28/03/209032803.db2.gz JAYOBIAOSOOKGP-DLBZAZTESA-N 1 1 393.487 3.893 50 0 GHAAMO COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000248894934 209032834 /nfs/dbraw/zinc/03/28/34/209032834.db2.gz JAYOBIAOSOOKGP-DLBZAZTESA-N 1 1 393.487 3.893 50 0 GHAAMO Cc1cc(NC(=O)N[C@H]2CCC[N@H+](Cc3cccnc3)C2)c(Cl)cc1F ZINC000299789291 209088517 /nfs/dbraw/zinc/08/85/17/209088517.db2.gz ZOGWXICSYIKIBF-HNNXBMFYSA-N 1 1 376.863 3.969 50 0 GHAAMO Cc1cc(NC(=O)N[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c(Cl)cc1F ZINC000299789291 209088521 /nfs/dbraw/zinc/08/85/21/209088521.db2.gz ZOGWXICSYIKIBF-HNNXBMFYSA-N 1 1 376.863 3.969 50 0 GHAAMO Cc1cc2oc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cc(=O)c2cc1C ZINC000015859925 221349236 /nfs/dbraw/zinc/34/92/36/221349236.db2.gz JZXJERGNXGNTJY-KRWDZBQOSA-N 1 1 380.444 3.570 50 0 GHAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(F)cc2)c(OC)c1 ZINC000016382329 221361507 /nfs/dbraw/zinc/36/15/07/221361507.db2.gz VMGNISGCRKABAB-FQEVSTJZSA-N 1 1 386.467 3.638 50 0 GHAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(F)cc2)c(OC)c1 ZINC000016382329 221361509 /nfs/dbraw/zinc/36/15/09/221361509.db2.gz VMGNISGCRKABAB-FQEVSTJZSA-N 1 1 386.467 3.638 50 0 GHAAMO Cc1ccccc1N1CCN(C(=O)C2=CC[N@@H+](Cc3cccc(F)c3)CC2)CC1 ZINC000064818110 136157930 /nfs/dbraw/zinc/15/79/30/136157930.db2.gz WNHBLDFVUWSFMI-UHFFFAOYSA-N 1 1 393.506 3.615 50 0 GHAAMO c1cn(Cc2cscn2)c([C@@H]2CCCN(c3ncnc4ccsc43)C2)[nH+]1 ZINC000095506298 136180133 /nfs/dbraw/zinc/18/01/33/136180133.db2.gz VLSWMFYRDPJUCE-CYBMUJFWSA-N 1 1 382.518 3.777 50 0 GHAAMO O[C@@H](c1ccc2c(c1)C[N@@H+](Cc1cccc3nccnc13)CCO2)c1ccccn1 ZINC000299759594 209082832 /nfs/dbraw/zinc/08/28/32/209082832.db2.gz PAVGMLRHFPHVDE-DEOSSOPVSA-N 1 1 398.466 3.501 50 0 GHAAMO O[C@@H](c1ccc2c(c1)C[N@H+](Cc1cccc3nccnc13)CCO2)c1ccccn1 ZINC000299759594 209082835 /nfs/dbraw/zinc/08/28/35/209082835.db2.gz PAVGMLRHFPHVDE-DEOSSOPVSA-N 1 1 398.466 3.501 50 0 GHAAMO Cc1ccccc1-c1cccc(NC(=O)NCC[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000299768661 209084122 /nfs/dbraw/zinc/08/41/22/209084122.db2.gz OQODNMMBLWIAKT-LJQANCHMSA-N 1 1 380.536 3.810 50 0 GHAAMO Cc1oc(-c2ccc(C)cc2)nc1C[N@H+]1CCC[C@H](c2ccn(CCO)n2)C1 ZINC000426465119 534521987 /nfs/dbraw/zinc/52/19/87/534521987.db2.gz GSAIGLQKEGVNGC-IBGZPJMESA-N 1 1 380.492 3.527 50 0 GHAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3cccnc3Cl)cc2Cl)CC1 ZINC000000809780 521699557 /nfs/dbraw/zinc/69/95/57/521699557.db2.gz IDFCMVFLXBOGRA-UHFFFAOYSA-N 1 1 379.291 3.783 50 0 GHAAMO O=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000426370210 534684017 /nfs/dbraw/zinc/68/40/17/534684017.db2.gz BKYFEORQGOXRTM-MRXNPFEDSA-N 1 1 375.394 3.688 50 0 GHAAMO COc1cc(N2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C2CC2)C3)ncn1 ZINC000095368302 536826336 /nfs/dbraw/zinc/82/63/36/536826336.db2.gz VJXKCIGRKHKCMO-IBGZPJMESA-N 1 1 378.520 3.724 50 0 GHAAMO COc1ccc2c(C)cc(N3CCN(Cc4ccc(C)cc4)C(=O)C3)[nH+]c2c1 ZINC000077454936 536963506 /nfs/dbraw/zinc/96/35/06/536963506.db2.gz HACYUCALJHVIRS-UHFFFAOYSA-N 1 1 375.472 3.709 50 0 GHAAMO COc1cccc(-c2ccc(N3CCC([N@H+]4CCN(C)[C@H](C)C4)CC3)cc2)c1 ZINC000063883063 537065281 /nfs/dbraw/zinc/06/52/81/537065281.db2.gz HJBAFFNSMJKJHZ-LJQANCHMSA-N 1 1 379.548 3.967 50 0 GHAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)C1 ZINC000048326580 570238105 /nfs/dbraw/zinc/23/81/05/570238105.db2.gz WOVXVMNGIQGSTE-QGZVFWFLSA-N 1 1 378.476 3.594 50 0 GHAAMO O=C(C[NH+]1CCC(c2nc(-c3cccc(F)c3)no2)CC1)Nc1ccccc1 ZINC000049403316 570264591 /nfs/dbraw/zinc/26/45/91/570264591.db2.gz PBOQMAYFGCOQBM-UHFFFAOYSA-N 1 1 380.423 3.694 50 0 GHAAMO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000012867237 570269315 /nfs/dbraw/zinc/26/93/15/570269315.db2.gz NLIYNTVVUUDGJU-CQSZACIVSA-N 1 1 399.882 3.561 50 0 GHAAMO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000012867237 570269317 /nfs/dbraw/zinc/26/93/17/570269317.db2.gz NLIYNTVVUUDGJU-CQSZACIVSA-N 1 1 399.882 3.561 50 0 GHAAMO O=C([C@H]1CCCO1)N1CC[NH+](Cc2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000012885857 570285462 /nfs/dbraw/zinc/28/54/62/570285462.db2.gz REEWEYLNAQSGSA-JOCHJYFZSA-N 1 1 389.499 3.658 50 0 GHAAMO CNC(=O)c1ccc(/C=C/C(=O)OC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000072310755 570305961 /nfs/dbraw/zinc/30/59/61/570305961.db2.gz WQWRLGDHOOIMMJ-RBZOQEBVSA-N 1 1 392.499 3.657 50 0 GHAAMO Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1csc2ccccc21)[NH+](C)C ZINC000575620052 570368744 /nfs/dbraw/zinc/36/87/44/570368744.db2.gz IFRQOJGLMDFCCG-KRWDZBQOSA-N 1 1 392.521 3.930 50 0 GHAAMO O=C(c1ccc(N2CCCC2)cc1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000221311657 570393150 /nfs/dbraw/zinc/39/31/50/570393150.db2.gz WACVIVLIOLKZBE-UHFFFAOYSA-N 1 1 389.543 3.602 50 0 GHAAMO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CCCn2c(=O)oc3ccccc32)cn1 ZINC000072291816 570484438 /nfs/dbraw/zinc/48/44/38/570484438.db2.gz YZSAJOAZPHHHSD-NRFANRHFSA-N 1 1 394.450 3.579 50 0 GHAAMO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)c(Br)c1OC ZINC000064638844 570508819 /nfs/dbraw/zinc/50/88/19/570508819.db2.gz PBZIMYMHIPQQLF-ZDUSSCGKSA-N 1 1 396.285 3.537 50 0 GHAAMO COc1ccc(C[N@H+]2CCC[C@H](c3nc(C)no3)C2)c(Br)c1OC ZINC000064638844 570508822 /nfs/dbraw/zinc/50/88/22/570508822.db2.gz PBZIMYMHIPQQLF-ZDUSSCGKSA-N 1 1 396.285 3.537 50 0 GHAAMO CCc1csc(-c2ccc(S(=O)(=O)NCC[N@@H+]3CCCC[C@@H]3C)s2)n1 ZINC000064755859 570534436 /nfs/dbraw/zinc/53/44/36/570534436.db2.gz WYEZEHZUIZLSIY-ZDUSSCGKSA-N 1 1 399.607 3.587 50 0 GHAAMO CCc1csc(-c2ccc(S(=O)(=O)NCC[N@H+]3CCCC[C@@H]3C)s2)n1 ZINC000064755859 570534439 /nfs/dbraw/zinc/53/44/39/570534439.db2.gz WYEZEHZUIZLSIY-ZDUSSCGKSA-N 1 1 399.607 3.587 50 0 GHAAMO COc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(F)cc2F)CC(C)C)cc1 ZINC000036099635 570538193 /nfs/dbraw/zinc/53/81/93/570538193.db2.gz GUPOCQLTHDWDSD-SFHVURJKSA-N 1 1 379.447 3.871 50 0 GHAAMO COc1ccc(C[N@H+](Cc2ccco2)C[C@@H](O)COCc2ccccc2)cc1 ZINC000036102103 570538916 /nfs/dbraw/zinc/53/89/16/570538916.db2.gz NDLJEHNZJMHBIN-OAQYLSRUSA-N 1 1 381.472 3.868 50 0 GHAAMO C[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146564 570549386 /nfs/dbraw/zinc/54/93/86/570549386.db2.gz CTNLFIFIQBFLDM-LIRRHRJNSA-N 1 1 376.859 3.855 50 0 GHAAMO CC(C)c1[nH+]ccn1CC1CCN(C(=O)C2(c3ccccc3)CCOCC2)CC1 ZINC000062017624 570556669 /nfs/dbraw/zinc/55/66/69/570556669.db2.gz MDNBWKNIOJBYQW-UHFFFAOYSA-N 1 1 395.547 3.994 50 0 GHAAMO O=C(C[N@@H+]1CC[C@H](n2cncn2)C1)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000225417150 570572078 /nfs/dbraw/zinc/57/20/78/570572078.db2.gz JNMLJRRKADNYRC-INIZCTEOSA-N 1 1 397.866 3.609 50 0 GHAAMO O=C(C[N@H+]1CC[C@H](n2cncn2)C1)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000225417150 570572079 /nfs/dbraw/zinc/57/20/79/570572079.db2.gz JNMLJRRKADNYRC-INIZCTEOSA-N 1 1 397.866 3.609 50 0 GHAAMO CCC[N@@H+]1CCc2nnc([C@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000011814430 570583779 /nfs/dbraw/zinc/58/37/79/570583779.db2.gz VXTFXNAPGJULGL-FQEVSTJZSA-N 1 1 397.567 3.680 50 0 GHAAMO CCOC(=O)N1CCC([N@H+]2CCc3[nH]nc(-c4ccc(Cl)cc4)c3C2)CC1 ZINC000011819685 570586256 /nfs/dbraw/zinc/58/62/56/570586256.db2.gz MPPXJLZCUVBJQL-UHFFFAOYSA-N 1 1 388.899 3.709 50 0 GHAAMO CN1CCC([N@@H+]2CCC[C@@H]2C(=O)Nc2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000011879796 570591177 /nfs/dbraw/zinc/59/11/77/570591177.db2.gz ADIYSMBSBJTUMU-JOCHJYFZSA-N 1 1 381.495 3.990 50 0 GHAAMO CN1CCC([N@H+]2CCC[C@@H]2C(=O)Nc2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000011879796 570591182 /nfs/dbraw/zinc/59/11/82/570591182.db2.gz ADIYSMBSBJTUMU-JOCHJYFZSA-N 1 1 381.495 3.990 50 0 GHAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3cc[nH]n3)C2)cc1 ZINC000011936218 570593966 /nfs/dbraw/zinc/59/39/66/570593966.db2.gz WGUWRGAONMGPEQ-SFHVURJKSA-N 1 1 390.487 3.936 50 0 GHAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)cc1 ZINC000011936218 570593974 /nfs/dbraw/zinc/59/39/74/570593974.db2.gz WGUWRGAONMGPEQ-SFHVURJKSA-N 1 1 390.487 3.936 50 0 GHAAMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccc(OC)c(O)c2)C1 ZINC000012072779 570604188 /nfs/dbraw/zinc/60/41/88/570604188.db2.gz IYFPYMYWKWHKAS-QHCPKHFHSA-N 1 1 383.488 3.789 50 0 GHAAMO COC(=O)c1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)cc1 ZINC000012074595 570604608 /nfs/dbraw/zinc/60/46/08/570604608.db2.gz NAGUYFHZVLGEOL-DEOSSOPVSA-N 1 1 398.547 3.982 50 0 GHAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N(C)C)[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000012099436 570608589 /nfs/dbraw/zinc/60/85/89/570608589.db2.gz WDATUTKTMHZDQI-UXHICEINSA-N 1 1 388.508 3.658 50 0 GHAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N(C)C)[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000012099436 570608591 /nfs/dbraw/zinc/60/85/91/570608591.db2.gz WDATUTKTMHZDQI-UXHICEINSA-N 1 1 388.508 3.658 50 0 GHAAMO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000005499412 570614793 /nfs/dbraw/zinc/61/47/93/570614793.db2.gz GBZFOGVNOLRSEP-QWHCGFSZSA-N 1 1 375.444 3.543 50 0 GHAAMO Fc1cccc(CN2CCC([C@@H]3CC[N@@H+](CCCn4cccn4)C3)CC2)c1F ZINC000012203927 570625696 /nfs/dbraw/zinc/62/56/96/570625696.db2.gz WDVCSJDEWSKRAT-LJQANCHMSA-N 1 1 388.506 3.786 50 0 GHAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3ccccc3F)C2)cc1 ZINC000036341491 570625910 /nfs/dbraw/zinc/62/59/10/570625910.db2.gz YUEUSDFXXSVRDB-QFIPXVFZSA-N 1 1 395.478 3.998 50 0 GHAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3ccccc3F)C2)cc1 ZINC000036341492 570625989 /nfs/dbraw/zinc/62/59/89/570625989.db2.gz YUEUSDFXXSVRDB-JOCHJYFZSA-N 1 1 395.478 3.998 50 0 GHAAMO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cccc(C)n3)C2)c1 ZINC000012318069 570642479 /nfs/dbraw/zinc/64/24/79/570642479.db2.gz FISWKQWMKURVPQ-IBGZPJMESA-N 1 1 381.520 3.707 50 0 GHAAMO CC(C)c1ncc(Cl)c(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000058407524 570648623 /nfs/dbraw/zinc/64/86/23/570648623.db2.gz AFHUEHXLTUNVBM-QGZVFWFLSA-N 1 1 386.927 3.895 50 0 GHAAMO C[N@H+]1CCC[C@H](C(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)C1 ZINC000012448018 570667258 /nfs/dbraw/zinc/66/72/58/570667258.db2.gz BUHDBFLSQAECLK-HNNXBMFYSA-N 1 1 393.409 3.851 50 0 GHAAMO C[C@H](CCc1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000054967113 570678883 /nfs/dbraw/zinc/67/88/83/570678883.db2.gz SBELNCDVOOOJFD-QGZVFWFLSA-N 1 1 392.952 3.668 50 0 GHAAMO CC(C)c1ccc(CN2CCC[C@]3(CC[N@@H+](Cc4ccc(CO)o4)C3)C2=O)cc1 ZINC000012573577 570681904 /nfs/dbraw/zinc/68/19/04/570681904.db2.gz QMAUCPUHBWGOEJ-XMMPIXPASA-N 1 1 396.531 3.910 50 0 GHAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)C(=O)c3cc(C)oc3C)C2)cc1 ZINC000012580489 570683938 /nfs/dbraw/zinc/68/39/38/570683938.db2.gz WJSPKSFNNSBOLW-FQEVSTJZSA-N 1 1 384.520 3.932 50 0 GHAAMO CCOc1cc(Cl)c(C[N@@H+](C)C[C@@H]2CC(=O)N(C3CCCC3)C2)cc1OC ZINC000055283089 570690177 /nfs/dbraw/zinc/69/01/77/570690177.db2.gz APWXYKZMVNLMIG-HNNXBMFYSA-N 1 1 394.943 3.970 50 0 GHAAMO O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1ccc[nH]c1=S ZINC000058008382 570706884 /nfs/dbraw/zinc/70/68/84/570706884.db2.gz HGCRHYUCKKWSFG-UHFFFAOYSA-N 1 1 395.450 3.784 50 0 GHAAMO Cc1c(O)ccc2c(C[N@H+]3CCCC[C@@H]3[C@H](O)c3ccccc3)cc(=O)oc12 ZINC000058182615 570717438 /nfs/dbraw/zinc/71/74/38/570717438.db2.gz XDXUQXVIUSCPPV-DENIHFKCSA-N 1 1 379.456 3.895 50 0 GHAAMO Cc1ccc(C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C[C@H]2CCCO2)o1 ZINC000245228717 570738840 /nfs/dbraw/zinc/73/88/40/570738840.db2.gz DACNBNGKZFVVEA-IEBWSBKVSA-N 1 1 379.884 3.662 50 0 GHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000013010511 570741917 /nfs/dbraw/zinc/74/19/17/570741917.db2.gz IAEHSBOBCSPEPJ-IBGZPJMESA-N 1 1 380.488 3.957 50 0 GHAAMO CCCc1noc(-c2cccnc2N2CCC[N@@H+](Cc3cccc(F)c3)CC2)n1 ZINC000065257932 570759020 /nfs/dbraw/zinc/75/90/20/570759020.db2.gz UGHDSRDGVCKAHU-UHFFFAOYSA-N 1 1 395.482 3.936 50 0 GHAAMO Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cccc4c3OCO4)C2)o1 ZINC000013596482 570761633 /nfs/dbraw/zinc/76/16/33/570761633.db2.gz LJRVLJSDASHGDA-KRWDZBQOSA-N 1 1 384.476 3.625 50 0 GHAAMO CC(=O)Nc1ccccc1NC(=O)C[N@H+](Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000067447111 570780143 /nfs/dbraw/zinc/78/01/43/570780143.db2.gz NUQSDAGGXHKYEH-UHFFFAOYSA-N 1 1 376.460 3.729 50 0 GHAAMO CC(=O)Nc1ccccc1NC(=O)C[N@@H+](Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000067447111 570780146 /nfs/dbraw/zinc/78/01/46/570780146.db2.gz NUQSDAGGXHKYEH-UHFFFAOYSA-N 1 1 376.460 3.729 50 0 GHAAMO Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)C3(Cn4ccnc4)CC3)C2)cc1 ZINC000067472976 570780603 /nfs/dbraw/zinc/78/06/03/570780603.db2.gz HFIAYRALQNJPHA-LJQANCHMSA-N 1 1 389.503 3.768 50 0 GHAAMO CNc1cc[nH+]c(NCc2nc(-c3ccccn3)c(-c3cccc(F)c3)[nH]2)n1 ZINC000067757907 570790031 /nfs/dbraw/zinc/79/00/31/570790031.db2.gz QSSLHAURGNNLBW-UHFFFAOYSA-N 1 1 375.411 3.722 50 0 GHAAMO CNc1cc[nH+]c(NCc2nc(-c3cccc(F)c3)c(-c3ccccn3)[nH]2)n1 ZINC000067757907 570790032 /nfs/dbraw/zinc/79/00/32/570790032.db2.gz QSSLHAURGNNLBW-UHFFFAOYSA-N 1 1 375.411 3.722 50 0 GHAAMO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000013805140 570791387 /nfs/dbraw/zinc/79/13/87/570791387.db2.gz GBZFOGVNOLRSEP-CHWSQXEVSA-N 1 1 375.444 3.543 50 0 GHAAMO C[NH+]1CCN(c2ncnc3cc(-c4ccc(Br)cc4)sc32)CC1 ZINC000032806195 570822657 /nfs/dbraw/zinc/82/26/57/570822657.db2.gz CDSBBSFPNKFFHT-UHFFFAOYSA-N 1 1 389.322 3.873 50 0 GHAAMO CCc1[nH]nc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)c1C ZINC000071707925 570843138 /nfs/dbraw/zinc/84/31/38/570843138.db2.gz CPCNUJGRTRAAET-FQEVSTJZSA-N 1 1 386.515 3.792 50 0 GHAAMO CCc1[nH]c2ccc(CNC(=O)[C@@H](c3cccnc3)[NH+]3CCCC3)cc2c1C ZINC000071712288 570843280 /nfs/dbraw/zinc/84/32/80/570843280.db2.gz MZKKBJQUGGWPLW-JOCHJYFZSA-N 1 1 376.504 3.887 50 0 GHAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2c3ccccc3C[C@H]2C)c(OC)c1 ZINC000037205264 570847718 /nfs/dbraw/zinc/84/77/18/570847718.db2.gz VWEANBTXIRWGNR-IIBYNOLFSA-N 1 1 380.488 3.819 50 0 GHAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2c3ccccc3C[C@H]2C)c(OC)c1 ZINC000037205264 570847722 /nfs/dbraw/zinc/84/77/22/570847722.db2.gz VWEANBTXIRWGNR-IIBYNOLFSA-N 1 1 380.488 3.819 50 0 GHAAMO CC(C)c1noc(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)n1 ZINC000071755064 570848647 /nfs/dbraw/zinc/84/86/47/570848647.db2.gz KCZPRHBSJIECQR-SFHVURJKSA-N 1 1 388.487 3.591 50 0 GHAAMO CC(C)c1noc(C[N@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)n1 ZINC000071755064 570848649 /nfs/dbraw/zinc/84/86/49/570848649.db2.gz KCZPRHBSJIECQR-SFHVURJKSA-N 1 1 388.487 3.591 50 0 GHAAMO CC(=O)Nc1ccccc1O[C@@H]1CC[N@@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000071769311 570851962 /nfs/dbraw/zinc/85/19/62/570851962.db2.gz ATVOZEGBFWPOKH-LJQANCHMSA-N 1 1 384.451 3.900 50 0 GHAAMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OCc3ccccc3)CC2)cc1OC ZINC000032851175 570854537 /nfs/dbraw/zinc/85/45/37/570854537.db2.gz NTCFXLSWAJPUSC-QGZVFWFLSA-N 1 1 398.503 3.712 50 0 GHAAMO CC[N@H+]1CCC[C@](C(=O)NCc2cccc(OC)c2OC)(c2ccccc2)CC1 ZINC000065226036 570859370 /nfs/dbraw/zinc/85/93/70/570859370.db2.gz VFWPMWZVCGNVRO-XMMPIXPASA-N 1 1 396.531 3.764 50 0 GHAAMO CN(C(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000072134347 570869303 /nfs/dbraw/zinc/86/93/03/570869303.db2.gz RJPJMJLLUSGMAT-QGZVFWFLSA-N 1 1 385.439 3.683 50 0 GHAAMO CN(C(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000072134347 570869309 /nfs/dbraw/zinc/86/93/09/570869309.db2.gz RJPJMJLLUSGMAT-QGZVFWFLSA-N 1 1 385.439 3.683 50 0 GHAAMO Cc1ncsc1CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000170619564 570876945 /nfs/dbraw/zinc/87/69/45/570876945.db2.gz UNPZOZCQHYYOQZ-CVEARBPZSA-N 1 1 398.450 3.848 50 0 GHAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)ccc1OC ZINC000004556421 570882935 /nfs/dbraw/zinc/88/29/35/570882935.db2.gz DDJCAWYHBRJQEH-GOSISDBHSA-N 1 1 387.505 3.962 50 0 GHAAMO CCOC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000104898342 570907236 /nfs/dbraw/zinc/90/72/36/570907236.db2.gz XWIIZZNJNMVLTP-NQIIRXRSSA-N 1 1 394.515 3.556 50 0 GHAAMO COCCC[N@H+]1CCc2nc(SCc3c(F)cccc3Cl)[nH]c(=O)c2C1 ZINC000033287228 570955417 /nfs/dbraw/zinc/95/54/17/570955417.db2.gz ZHXYXCWCYFSUCM-UHFFFAOYSA-N 1 1 397.903 3.662 50 0 GHAAMO CCC[NH+](CCC)CN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O ZINC000033291608 570959186 /nfs/dbraw/zinc/95/91/86/570959186.db2.gz OUVRNDHPRODTMQ-ATVHPVEESA-N 1 1 378.494 3.820 50 0 GHAAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)COc2ccc(Br)cc2)C1 ZINC000107089438 570970874 /nfs/dbraw/zinc/97/08/74/570970874.db2.gz XBSSSFIVOMMIFY-UXLLHSPISA-N 1 1 395.341 3.692 50 0 GHAAMO COc1cccc(C(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)c1 ZINC000033318322 570973456 /nfs/dbraw/zinc/97/34/56/570973456.db2.gz VRUCFLFLGHGXLC-UHFFFAOYSA-N 1 1 377.448 3.856 50 0 GHAAMO COc1cccc(C(=O)Nc2ccc(Nc3cc(N(C)C)[nH+]c(C)n3)cc2)c1 ZINC000033318322 570973459 /nfs/dbraw/zinc/97/34/59/570973459.db2.gz VRUCFLFLGHGXLC-UHFFFAOYSA-N 1 1 377.448 3.856 50 0 GHAAMO CCC(=O)c1ccc(OCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000170654887 570999690 /nfs/dbraw/zinc/99/96/90/570999690.db2.gz VHAOXTBGMUNSPU-WIYYLYMNSA-N 1 1 394.515 3.827 50 0 GHAAMO c1ccc(CCc2nnc3n2CC[N@H+](Cc2ccc4ncccc4c2)CC3)cc1 ZINC000023399459 836939937 /nfs/dbraw/zinc/93/99/37/836939937.db2.gz NPTSUIFKJXEGCY-UHFFFAOYSA-N 1 1 383.499 3.670 50 0 GHAAMO COc1ccc(/C=C\C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1OC ZINC000098005593 838499274 /nfs/dbraw/zinc/49/92/74/838499274.db2.gz UIMXYJQKYPOSQA-XFFZJAGNSA-N 1 1 398.478 3.591 50 0 GHAAMO COc1ccc(/C=C\C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1OC ZINC000098005593 838499281 /nfs/dbraw/zinc/49/92/81/838499281.db2.gz UIMXYJQKYPOSQA-XFFZJAGNSA-N 1 1 398.478 3.591 50 0 GHAAMO O[C@@]1(c2ccccn2)CCOC2(CC[NH+](Cc3cccc(Cl)c3F)CC2)C1 ZINC000257177927 838737558 /nfs/dbraw/zinc/73/75/58/838737558.db2.gz YLQWHRZVPVZTIL-NRFANRHFSA-N 1 1 390.886 3.907 50 0 GHAAMO O[C@]1(c2ccccn2)CCOC2(CC[NH+](Cc3cccc(Cl)c3F)CC2)C1 ZINC000257177929 838737744 /nfs/dbraw/zinc/73/77/44/838737744.db2.gz YLQWHRZVPVZTIL-OAQYLSRUSA-N 1 1 390.886 3.907 50 0 GHAAMO COc1ccc(-c2csc3ncn(C[C@H]4CCCC[N@H+]4C)c(=O)c23)cc1OC ZINC000584885226 841161924 /nfs/dbraw/zinc/16/19/24/841161924.db2.gz NRJAULWZYFPHNP-OAHLLOKOSA-N 1 1 399.516 3.627 50 0 GHAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)NCc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000584898352 841182564 /nfs/dbraw/zinc/18/25/64/841182564.db2.gz RULRYSVJMAXESL-CQSZACIVSA-N 1 1 388.899 3.763 50 0 GHAAMO COC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1Br ZINC000057315523 861959031 /nfs/dbraw/zinc/95/90/31/861959031.db2.gz XRBGYQYGUSQSQG-GFCCVEGCSA-N 1 1 391.265 3.525 50 0 GHAAMO C[C@@H](C1CC1)[N@@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1ccccc1 ZINC000003362506 862366787 /nfs/dbraw/zinc/36/67/87/862366787.db2.gz PVKHDPAWZXCHNA-AWEZNQCLSA-N 1 1 397.544 3.575 50 0 GHAAMO O=C(CCc1ccncc1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000012448231 862401635 /nfs/dbraw/zinc/40/16/35/862401635.db2.gz RJYURSLLGKVKBO-HSZRJFAPSA-N 1 1 399.485 3.807 50 0 GHAAMO C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000067443094 856279864 /nfs/dbraw/zinc/27/98/64/856279864.db2.gz WMVSZTOWUOAVLY-CQSZACIVSA-N 1 1 383.883 3.589 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000067443093 856280029 /nfs/dbraw/zinc/28/00/29/856280029.db2.gz WMVSZTOWUOAVLY-AWEZNQCLSA-N 1 1 383.883 3.589 50 0 GHAAMO CC(C)NC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000068860314 856610056 /nfs/dbraw/zinc/61/00/56/856610056.db2.gz NQJMHSQRIDRBEZ-INIZCTEOSA-N 1 1 380.492 3.602 50 0 GHAAMO CC(C)NC(=O)[C@H](C)[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000068860314 856610072 /nfs/dbraw/zinc/61/00/72/856610072.db2.gz NQJMHSQRIDRBEZ-INIZCTEOSA-N 1 1 380.492 3.602 50 0 GHAAMO Cc1c(-c2cccc(Cl)c2)nn2c1nc(C)cc2NCCC[NH+]1CCOCC1 ZINC000040216726 856697687 /nfs/dbraw/zinc/69/76/87/856697687.db2.gz JQSVSIKLYUFBLV-UHFFFAOYSA-N 1 1 399.926 3.801 50 0 GHAAMO CC(C)Oc1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1CO ZINC000011775791 857329471 /nfs/dbraw/zinc/32/94/71/857329471.db2.gz AFTCPNXDOWZFCA-XMMPIXPASA-N 1 1 383.532 3.783 50 0 GHAAMO COc1ccc(N[C@@H]2CCC[N@@H+](Cc3cccn3-c3ccccn3)C2)cc1OC ZINC000011820572 857423232 /nfs/dbraw/zinc/42/32/32/857423232.db2.gz GSYYBMBWWYPTJI-LJQANCHMSA-N 1 1 392.503 3.966 50 0 GHAAMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)Nc1ncn(C2CCCCC2)n1 ZINC000184506004 858947878 /nfs/dbraw/zinc/94/78/78/858947878.db2.gz MQYSLMXCNFWFDL-IBGZPJMESA-N 1 1 382.512 3.569 50 0 GHAAMO Cc1ncsc1C[N@@H+]1CCC[C@@H](COc2ccccc2C(=O)NC(C)C)C1 ZINC000169765105 859745926 /nfs/dbraw/zinc/74/59/26/859745926.db2.gz FUVQBZACIHAASG-QGZVFWFLSA-N 1 1 387.549 3.881 50 0 GHAAMO 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3.518 50 0 GHAAMO CC(C)c1ccc(C[N@@H+](CC(=O)N2CCN(c3ccccn3)CC2)C2CC2)cc1 ZINC000007797995 882446374 /nfs/dbraw/zinc/44/63/74/882446374.db2.gz LKPFJPPCSZQYDU-UHFFFAOYSA-N 1 1 392.547 3.518 50 0 GHAAMO Clc1cccc(-c2nc(C[N@@H+]3CCC[C@@H](CN4CCOCC4)C3)co2)c1 ZINC000069855911 871615551 /nfs/dbraw/zinc/61/55/51/871615551.db2.gz JMCQCNZHLZWMMU-INIZCTEOSA-N 1 1 375.900 3.539 50 0 GHAAMO Clc1cccc(-c2nc(C[N@H+]3CCC[C@@H](CN4CCOCC4)C3)co2)c1 ZINC000069855911 871615560 /nfs/dbraw/zinc/61/55/60/871615560.db2.gz JMCQCNZHLZWMMU-INIZCTEOSA-N 1 1 375.900 3.539 50 0 GHAAMO COc1ccccc1N1CC[C@@H]([NH+]2CCC(Nc3cccc(C)c3)CC2)C1=O ZINC000151658734 875745775 /nfs/dbraw/zinc/74/57/75/875745775.db2.gz BHYLOZUULJXMRP-OAQYLSRUSA-N 1 1 379.504 3.685 50 0 GHAAMO Cc1cc(C)cc(OCc2noc(C[NH2+][C@@H]3CCc4ccccc4OC3)n2)c1 ZINC000585080166 897023513 /nfs/dbraw/zinc/02/35/13/897023513.db2.gz AJWZYHHBYRZOHN-GOSISDBHSA-N 1 1 379.460 3.749 50 0 GHAAMO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1c(C)nn(C)c1OCC(F)(F)F)CCO2 ZINC000187545186 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378.472 3.741 50 0 GHAAMO COc1ccccc1N1CC[NH+](Cc2cc(=O)oc3c(C)cc(C)cc23)CC1 ZINC000054147565 206278703 /nfs/dbraw/zinc/27/87/03/206278703.db2.gz MQFWJUBRZOZZLG-UHFFFAOYSA-N 1 1 378.472 3.741 50 0 GHAAMO Cc1sc(NC(=O)c2ccco2)c(C[NH+]2CCN(c3ccccn3)CC2)c1C ZINC000000950080 206337187 /nfs/dbraw/zinc/33/71/87/206337187.db2.gz JVCOZJLKHRVZMW-UHFFFAOYSA-N 1 1 396.516 3.927 50 0 GHAAMO CN(C)C(=O)c1ccc(NC(=O)C[NH+]2CCC(CCc3ccccc3)CC2)cc1 ZINC000011155463 206821836 /nfs/dbraw/zinc/82/18/36/206821836.db2.gz DJSHSAARPPXWBH-UHFFFAOYSA-N 1 1 393.531 3.672 50 0 GHAAMO C[N@@H+](CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)C1CCCCC1 ZINC000014234067 207016662 /nfs/dbraw/zinc/01/66/62/207016662.db2.gz JDCWJWCBZPCXPF-UHFFFAOYSA-N 1 1 377.488 3.704 50 0 GHAAMO O=C([C@@H]1CCCO1)N1CCC[C@@H]2C[N@@H+](Cc3cc4ccccc4s3)CC[C@@H]21 ZINC000014951197 207033129 /nfs/dbraw/zinc/03/31/29/207033129.db2.gz LZNQBUYTFRXZBV-HOJAQTOUSA-N 1 1 384.545 3.893 50 0 GHAAMO CN(C)c1nc(Cl)c(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)s1 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570661699 /nfs/dbraw/zinc/66/16/99/570661699.db2.gz CFDQPNOUSYMIQI-HSZRJFAPSA-N 1 1 399.535 3.930 50 0 GHAAMO O=C1N(C2CCCC2)C[C@@H]2C[C@@H](c3cccn3-c3ccccn3)[N@H+]3CCC[C@@]123 ZINC000012434923 570661802 /nfs/dbraw/zinc/66/18/02/570661802.db2.gz KJADEQRQJUJVKZ-NYDSKATKSA-N 1 1 376.504 3.553 50 0 GHAAMO CN(C(=O)c1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012440846 570664462 /nfs/dbraw/zinc/66/44/62/570664462.db2.gz MPQFZMNZEVZXJQ-HXUWFJFHSA-N 1 1 380.488 3.585 50 0 GHAAMO O=C(NCc1ccccn1)C1CCN(C2CC[NH+](C3CCCCCC3)CC2)CC1 ZINC000012448198 570667314 /nfs/dbraw/zinc/66/73/14/570667314.db2.gz OMSLUNBWJGUZKK-UHFFFAOYSA-N 1 1 398.595 3.597 50 0 GHAAMO COc1c(C)cc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(OCCO)cc3)C2)cc1C ZINC000012478431 570674175 /nfs/dbraw/zinc/67/41/75/570674175.db2.gz HLEFHIHJHOIUPX-FQEVSTJZSA-N 1 1 397.515 3.778 50 0 GHAAMO CCn1nc(C)c(C[N@H+](CCOC)Cc2cc(F)c(OC)c(Cl)c2)c1C ZINC000055118925 570683593 /nfs/dbraw/zinc/68/35/93/570683593.db2.gz SJDASJLKKQPALC-UHFFFAOYSA-N 1 1 383.895 3.970 50 0 GHAAMO CCn1nc(C)c(C[N@@H+](CCOC)Cc2cc(F)c(OC)c(Cl)c2)c1C ZINC000055118925 570683594 /nfs/dbraw/zinc/68/35/94/570683594.db2.gz SJDASJLKKQPALC-UHFFFAOYSA-N 1 1 383.895 3.970 50 0 GHAAMO COCc1cc(C[N@H+]2CCC[C@@](CO)(CCOc3ccccc3)C2)ccc1OC ZINC000012586566 570685624 /nfs/dbraw/zinc/68/56/24/570685624.db2.gz WYKPLQGJIQXHMV-XMMPIXPASA-N 1 1 399.531 3.885 50 0 GHAAMO COCC[N@H+]1CC[C@H](CN(C)C(=O)c2cccc(NCc3ccc(C)cc3)c2)C1 ZINC000055197463 570686763 /nfs/dbraw/zinc/68/67/63/570686763.db2.gz WASDEVFGMMTJQA-OAQYLSRUSA-N 1 1 395.547 3.647 50 0 GHAAMO COc1ccccc1CCC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012594966 570688737 /nfs/dbraw/zinc/68/87/37/570688737.db2.gz MAGJQLRBUBVCIG-HXUWFJFHSA-N 1 1 384.495 3.890 50 0 GHAAMO COc1ccccc1CCC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012594966 570688741 /nfs/dbraw/zinc/68/87/41/570688741.db2.gz MAGJQLRBUBVCIG-HXUWFJFHSA-N 1 1 384.495 3.890 50 0 GHAAMO CC(C)Cn1c2ccccc2nc1C[NH+]1CCC(n2cc(C3CC3)nn2)CC1 ZINC000055252579 570688929 /nfs/dbraw/zinc/68/89/29/570688929.db2.gz OEDRJVNCKOTNOL-UHFFFAOYSA-N 1 1 378.524 3.998 50 0 GHAAMO CCC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(NCc3cccnc3)c2C)C1 ZINC000055308022 570690658 /nfs/dbraw/zinc/69/06/58/570690658.db2.gz PNSXDLDLGVWDKP-FQEVSTJZSA-N 1 1 380.536 3.854 50 0 GHAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012635877 570694095 /nfs/dbraw/zinc/69/40/95/570694095.db2.gz TVYORWMBEHMXEO-SFHVURJKSA-N 1 1 389.952 3.887 50 0 GHAAMO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](CCCn1ccnc1)Cc1ccncc1 ZINC000063869474 570752293 /nfs/dbraw/zinc/75/22/93/570752293.db2.gz SJCQNBZDIOXHRA-UHFFFAOYSA-N 1 1 380.540 3.939 50 0 GHAAMO CC(C)(C)C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cnc(-c4ccco4)nc3)C2)C1 ZINC000067772463 570790551 /nfs/dbraw/zinc/79/05/51/570790551.db2.gz RTDQCYOCOMZVMK-QFIPXVFZSA-N 1 1 382.508 3.597 50 0 GHAAMO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000032754404 570797387 /nfs/dbraw/zinc/79/73/87/570797387.db2.gz LXIMRLMMRNTMLW-JOCHJYFZSA-N 1 1 379.504 3.607 50 0 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394.515 3.720 50 0 GHAAMO O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000071750489 570846846 /nfs/dbraw/zinc/84/68/46/570846846.db2.gz AXMBKBXPSRMAAO-QHCPKHFHSA-N 1 1 378.516 3.581 50 0 GHAAMO CCCn1ccnc1C[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071763793 570850856 /nfs/dbraw/zinc/85/08/56/570850856.db2.gz ZORWYMITLYIHPL-FQEVSTJZSA-N 1 1 386.515 3.691 50 0 GHAAMO CCCn1ccnc1C[N@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071763793 570850860 /nfs/dbraw/zinc/85/08/60/570850860.db2.gz ZORWYMITLYIHPL-FQEVSTJZSA-N 1 1 386.515 3.691 50 0 GHAAMO CC(=O)Nc1ccccc1O[C@H]1CC[N@@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000071769312 570852032 /nfs/dbraw/zinc/85/20/32/570852032.db2.gz ATVOZEGBFWPOKH-IBGZPJMESA-N 1 1 384.451 3.900 50 0 GHAAMO CCc1cc(N2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)nc(C)[nH+]1 ZINC000071777294 570853132 /nfs/dbraw/zinc/85/31/32/570853132.db2.gz TYTBIYQLJXKCOS-HXUWFJFHSA-N 1 1 384.499 3.750 50 0 GHAAMO COc1c(C)c[nH+]c(CN2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)c1C ZINC000071777255 570853439 /nfs/dbraw/zinc/85/34/39/570853439.db2.gz MWZMVGANSHDEGS-KRWDZBQOSA-N 1 1 382.460 3.531 50 0 GHAAMO COc1c(C)cnc(C[N@@H+]2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)c1C ZINC000071777255 570853440 /nfs/dbraw/zinc/85/34/40/570853440.db2.gz MWZMVGANSHDEGS-KRWDZBQOSA-N 1 1 382.460 3.531 50 0 GHAAMO COc1c(C)cnc(C[N@H+]2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)c1C ZINC000071777255 570853441 /nfs/dbraw/zinc/85/34/41/570853441.db2.gz MWZMVGANSHDEGS-KRWDZBQOSA-N 1 1 382.460 3.531 50 0 GHAAMO CN(C)C(=O)CC[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000072128169 570867620 /nfs/dbraw/zinc/86/76/20/570867620.db2.gz OFKCMYXXPPCASZ-LJQANCHMSA-N 1 1 381.520 3.741 50 0 GHAAMO CC(C)[C@@H]1CN(C(=O)CCc2ccncc2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000072128420 570868111 /nfs/dbraw/zinc/86/81/11/570868111.db2.gz GNIXSMMVWZTGCZ-QFIPXVFZSA-N 1 1 383.511 3.912 50 0 GHAAMO CN(C(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000072134348 570869437 /nfs/dbraw/zinc/86/94/37/570869437.db2.gz RJPJMJLLUSGMAT-KRWDZBQOSA-N 1 1 385.439 3.683 50 0 GHAAMO CN(C(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000072134348 570869439 /nfs/dbraw/zinc/86/94/39/570869439.db2.gz RJPJMJLLUSGMAT-KRWDZBQOSA-N 1 1 385.439 3.683 50 0 GHAAMO O=C1NCCN1c1ccc(C[N@@H+]2CCCC[C@@H]2CCc2cccc(O)c2)cc1 ZINC000072143679 570870668 /nfs/dbraw/zinc/87/06/68/570870668.db2.gz DERQALRWFPISKW-HXUWFJFHSA-N 1 1 379.504 3.909 50 0 GHAAMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1Br ZINC000032912078 570915052 /nfs/dbraw/zinc/91/50/52/570915052.db2.gz GDRRSNVRKKJLSV-INIZCTEOSA-N 1 1 391.284 3.983 50 0 GHAAMO CC[C@@H](CO)[N@@H+](CCCO[C@H]1CCOC1)Cc1ccc(Cl)cc1Cl ZINC000106922351 570968508 /nfs/dbraw/zinc/96/85/08/570968508.db2.gz JJASTCMBNUTBMJ-IRXDYDNUSA-N 1 1 376.324 3.762 50 0 GHAAMO CC(C)n1cc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc2c1=O ZINC000079192046 835894733 /nfs/dbraw/zinc/89/47/33/835894733.db2.gz OJEIXPHBOXDCNR-LAUBAEHRSA-N 1 1 381.520 3.577 50 0 biogenic GHAAMO O=C(/C=C\c1cccc(Br)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000097676038 836595784 /nfs/dbraw/zinc/59/57/84/836595784.db2.gz QKOZHYPYWRXREA-KTKRTIGZSA-N 1 1 385.305 3.807 50 0 GHAAMO Cc1ccc(NC(=O)N2CCCC[C@H]2CC[NH+]2CCOCC2)c2cccnc12 ZINC000299789078 840782988 /nfs/dbraw/zinc/78/29/88/840782988.db2.gz WPTUMLSCOSOQGO-SFHVURJKSA-N 1 1 382.508 3.652 50 0 GHAAMO O=C(c1ccc2c(c1)C[N@@H+](Cc1ccc3cc[nH]c3c1)CCO2)N1CCCC1 ZINC000675017500 840877152 /nfs/dbraw/zinc/87/71/52/840877152.db2.gz DFLMMQPNKMUMRS-UHFFFAOYSA-N 1 1 375.472 3.799 50 0 GHAAMO O=C(c1ccc2c(c1)C[N@H+](Cc1ccc3cc[nH]c3c1)CCO2)N1CCCC1 ZINC000675017500 840877163 /nfs/dbraw/zinc/87/71/63/840877163.db2.gz DFLMMQPNKMUMRS-UHFFFAOYSA-N 1 1 375.472 3.799 50 0 GHAAMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)C1 ZINC000161306057 847499585 /nfs/dbraw/zinc/49/95/85/847499585.db2.gz SBBQIQPIHVXHJF-LBPRGKRZSA-N 1 1 380.275 3.862 50 0 GHAAMO COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)C[NH+]2CCCCC2)c1 ZINC000079112485 849304142 /nfs/dbraw/zinc/30/41/42/849304142.db2.gz MHKOJNDTBYODLS-LJQANCHMSA-N 1 1 383.517 3.920 50 0 GHAAMO Cc1ccc2nc([C@H]([NH2+]C3CCN(C(=O)c4ccccn4)CC3)C(C)C)[nH]c2c1 ZINC000820711206 862093609 /nfs/dbraw/zinc/09/36/09/862093609.db2.gz GIFNVZOHRLBHTA-OAQYLSRUSA-N 1 1 391.519 3.858 50 0 GHAAMO CCOC(=O)c1c(NC(=O)[C@H](C)[NH2+]Cc2ccco2)sc2c1CC[C@@H](C)C2 ZINC000003292319 862314854 /nfs/dbraw/zinc/31/48/54/862314854.db2.gz MAVYPFZMAMHYOF-OLZOCXBDSA-N 1 1 390.505 3.759 50 0 GHAAMO CCOc1ccc(C[N@@H+](C)C[C@@H](O)COc2cccc(Br)c2)cc1 ZINC000003401572 862389020 /nfs/dbraw/zinc/38/90/20/862389020.db2.gz UDKMKYPBOFYDPM-QGZVFWFLSA-N 1 1 394.309 3.720 50 0 GHAAMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)C1 ZINC000054805094 853549096 /nfs/dbraw/zinc/54/90/96/853549096.db2.gz PEBBLOZXCGOYMC-QGZVFWFLSA-N 1 1 397.567 3.962 50 0 GHAAMO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ccc(C)[nH]c4=O)C3)C2)c1 ZINC000012707699 856177923 /nfs/dbraw/zinc/17/79/23/856177923.db2.gz YXYDOEFCVYZBBR-QHCPKHFHSA-N 1 1 379.504 3.532 50 0 GHAAMO Cc1ccc([C@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1 ZINC000038629450 856218698 /nfs/dbraw/zinc/21/86/98/856218698.db2.gz KPGJESWKARFPTF-KRWDZBQOSA-N 1 1 386.439 3.595 50 0 GHAAMO CC[C@@H](CO)[N@@H+](Cc1ccco1)Cc1ccccc1OCCCn1ccnc1 ZINC000822623008 862788187 /nfs/dbraw/zinc/78/81/87/862788187.db2.gz INDPHNIKAZDAJG-FQEVSTJZSA-N 1 1 383.492 3.718 50 0 GHAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)C[C@H](C)c3ccccc3)cc2)CC1 ZINC000040115648 856668849 /nfs/dbraw/zinc/66/88/49/856668849.db2.gz XVPHGNOLEICKIB-FQEVSTJZSA-N 1 1 379.548 3.634 50 0 GHAAMO O[C@@H](COc1ccc(Cl)cc1)C[N@@H+](Cc1ccccc1F)C[C@H]1CCCO1 ZINC000245229429 856749416 /nfs/dbraw/zinc/74/94/16/856749416.db2.gz XQKHOAUOPJKDJT-UYAOXDASSA-N 1 1 393.886 3.900 50 0 GHAAMO O[C@@H](COc1ccc(Cl)cc1)C[N@H+](Cc1ccccc1F)C[C@H]1CCCO1 ZINC000245229429 856749422 /nfs/dbraw/zinc/74/94/22/856749422.db2.gz XQKHOAUOPJKDJT-UYAOXDASSA-N 1 1 393.886 3.900 50 0 GHAAMO C[C@@H]1CN(C(=O)c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)CC[N@@H+]1C ZINC000011760109 858925423 /nfs/dbraw/zinc/92/54/23/858925423.db2.gz NMTWSFXUZWBLLD-CQSZACIVSA-N 1 1 383.879 3.848 50 0 GHAAMO C[C@@H]1CN(C(=O)c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)CC[N@H+]1C ZINC000011760109 858925432 /nfs/dbraw/zinc/92/54/32/858925432.db2.gz NMTWSFXUZWBLLD-CQSZACIVSA-N 1 1 383.879 3.848 50 0 GHAAMO Cc1cccc(C[N@@H+]2CCC[C@H](c3nc(C(C)C)no3)CCNC(=O)CC2)c1 ZINC000257179281 859509565 /nfs/dbraw/zinc/50/95/65/859509565.db2.gz IIJWHZSWDWQLRF-IBGZPJMESA-N 1 1 384.524 3.777 50 0 GHAAMO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)no3)CCNC(=O)CC2)s1 ZINC000257181130 859579088 /nfs/dbraw/zinc/57/90/88/859579088.db2.gz MLULHWVMSDCOBV-MRXNPFEDSA-N 1 1 390.553 3.839 50 0 GHAAMO CC(C)C(=O)N1CCC2(CC1)C[C@@H]([N@@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776694 859773664 /nfs/dbraw/zinc/77/36/64/859773664.db2.gz DETJEQPDYUGISN-NRFANRHFSA-N 1 1 388.527 3.986 50 0 GHAAMO O=C(C1CCC1)N1CCOc2ccc(C[N@H+]3CCc4ccccc4C3)cc2C1 ZINC000169777132 859774255 /nfs/dbraw/zinc/77/42/55/859774255.db2.gz RMFSJOXYNKEEEY-UHFFFAOYSA-N 1 1 376.500 3.766 50 0 GHAAMO CC(=O)N1CCC([C@H]2CC[N@@H+](Cc3cc(F)cc(Br)c3)C2)CC1 ZINC000169781510 859777599 /nfs/dbraw/zinc/77/75/99/859777599.db2.gz NRQSEFOLQBUOED-INIZCTEOSA-N 1 1 383.305 3.669 50 0 GHAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(C(F)F)c1F ZINC000527720433 859868215 /nfs/dbraw/zinc/86/82/15/859868215.db2.gz LILGCJLESLHLAU-UHFFFAOYSA-N 1 1 378.394 3.526 50 0 GHAAMO CCC[N@@H+](C)CC1(O)CCC2(CCN(C(=O)c3sc(C)nc3C)CC2)CC1 ZINC000257191884 860161343 /nfs/dbraw/zinc/16/13/43/860161343.db2.gz QCJBQTWEMXUOSE-UHFFFAOYSA-N 1 1 393.597 3.629 50 0 GHAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=O)c2cccc(Cl)c2)CC1 ZINC000022460202 861127792 /nfs/dbraw/zinc/12/77/92/861127792.db2.gz KFOGXLJGVWEUII-KXBFYZLASA-N 1 1 391.968 3.899 50 0 GHAAMO CCc1nc(C)c(C[N@H+]2CCC[C@@H](CNC(=O)c3ccc4ncsc4c3)C2)[nH]1 ZINC000823550018 863126291 /nfs/dbraw/zinc/12/62/91/863126291.db2.gz PESWCDHNTFWPJS-HNNXBMFYSA-N 1 1 397.548 3.532 50 0 GHAAMO COc1ccc2c(cc(C(=O)N[C@@H]3CCC[N@@H+](Cc4cccs4)C3)n2C)c1 ZINC000824758529 864131959 /nfs/dbraw/zinc/13/19/59/864131959.db2.gz JEHXHFKGBXMHNU-MRXNPFEDSA-N 1 1 383.517 3.643 50 0 GHAAMO Cc1c[nH+]c(C[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3F)C2)n1C(C)C ZINC000575317661 865992764 /nfs/dbraw/zinc/99/27/64/865992764.db2.gz VBEBTRKCUPHOTB-KRWDZBQOSA-N 1 1 393.528 3.696 50 0 GHAAMO Cc1ccc(C(=O)N2CCC3(CC2)C[C@H]([N@@H+](C)Cc2ccccc2)CCO3)cn1 ZINC000581784069 869982767 /nfs/dbraw/zinc/98/27/67/869982767.db2.gz BDQPGIOXGVBPJI-JOCHJYFZSA-N 1 1 393.531 3.676 50 0 GHAAMO O=C(c1c[nH]c2ccccc12)N1CC([N@@H+](Cc2ccccc2)C2CCOCC2)C1 ZINC000581794611 870012441 /nfs/dbraw/zinc/01/24/41/870012441.db2.gz IEHCVGCUWYRTSH-UHFFFAOYSA-N 1 1 389.499 3.674 50 0 GHAAMO Cc1c[nH+]c(C[C@H]2CCCN(C(=O)c3ccncc3)C2)n1Cc1ccc(F)cc1 ZINC000581816679 870045955 /nfs/dbraw/zinc/04/59/55/870045955.db2.gz KEJSGRDNTOFHSW-LJQANCHMSA-N 1 1 392.478 3.869 50 0 GHAAMO Cc1cccc(C[N@H+]2CCC[C@H](c3nc(CCOCC4CCOCC4)no3)C2)c1 ZINC000581821921 870054423 /nfs/dbraw/zinc/05/44/23/870054423.db2.gz NAYAUDWYSRURKZ-NRFANRHFSA-N 1 1 399.535 3.743 50 0 GHAAMO O=C(N[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000670455886 893544735 /nfs/dbraw/zinc/54/47/35/893544735.db2.gz LRRNPXTYZRSPFZ-AWEZNQCLSA-N 1 1 385.464 3.535 50 0 GHAAMO Cc1cc(C)cc(OCc2noc(C[NH2+][C@H]3CCc4ccccc4OC3)n2)c1 ZINC000585080167 897023828 /nfs/dbraw/zinc/02/38/28/897023828.db2.gz AJWZYHHBYRZOHN-SFHVURJKSA-N 1 1 379.460 3.749 50 0 GHAAMO Cc1noc(C)c1COc1ccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)cc1 ZINC000585084636 897173205 /nfs/dbraw/zinc/17/32/05/897173205.db2.gz XCYMECCOGPIQQP-UHFFFAOYSA-N 1 1 396.466 3.727 50 0 GHAAMO Cc1cnccc1OC1CC[NH+](CC(=O)N(C)Cc2ccc(Cl)cc2)CC1 ZINC000585084850 897197835 /nfs/dbraw/zinc/19/78/35/897197835.db2.gz XQCJKHAHISZTDF-UHFFFAOYSA-N 1 1 387.911 3.545 50 0 GHAAMO Cc1nn(C)c(Oc2cccnc2)c1CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192919947 904347469 /nfs/dbraw/zinc/34/74/69/904347469.db2.gz PUAXNEHQNJLWNB-HXUWFJFHSA-N 1 1 391.519 3.528 50 0 GHAAMO Fc1ccc(C[N@H+]2CCCN(Cc3cc4c(cc3Cl)OCO4)CC2)cc1 ZINC000952966325 904644388 /nfs/dbraw/zinc/64/43/88/904644388.db2.gz IVYOTVMMAKIDKW-UHFFFAOYSA-N 1 1 376.859 3.916 50 0 GHAAMO CC(=O)Nc1ccccc1SCC(=O)Nc1ccccc1Cn1cc[nH+]c1C ZINC000952976835 904655922 /nfs/dbraw/zinc/65/59/22/904655922.db2.gz UYIJPJAWDKPWOB-UHFFFAOYSA-N 1 1 394.500 3.929 50 0 GHAAMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@]2(c3ccc(F)cc3)CC2(C)C)cc1 ZINC000952982000 904667227 /nfs/dbraw/zinc/66/72/27/904667227.db2.gz KVYPMSUYYXMFRK-QFIPXVFZSA-N 1 1 383.467 3.632 50 0 GHAAMO c1coc(-c2ncc(CNC[C@H]3CCC[N@H+](CCc4ccccc4)C3)cn2)c1 ZINC000952988450 904674146 /nfs/dbraw/zinc/67/41/46/904674146.db2.gz RJALSZMVIYTHCD-HXUWFJFHSA-N 1 1 376.504 3.781 50 0 GHAAMO O=C(Nc1cccnc1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000128197397 919155268 /nfs/dbraw/zinc/15/52/68/919155268.db2.gz GGKRNIXVYUAGBH-UHFFFAOYSA-N 1 1 389.297 3.630 50 0 GHAAMO Cc1ccc(OC[C@H]2C[C@@H](C(=O)N3CCCC3)C[N@@H+](Cc3ccccc3)C2)cn1 ZINC000014538718 919332188 /nfs/dbraw/zinc/33/21/88/919332188.db2.gz AIKVKBDKWZQOFK-FCHUYYIVSA-N 1 1 393.531 3.530 50 0 GHAAMO O=C(NCc1ccccc1)[C@@H]1CCCN(C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000014976377 919352487 /nfs/dbraw/zinc/35/24/87/919352487.db2.gz WRKDTFJERUMZPH-OAQYLSRUSA-N 1 1 383.580 3.812 50 0 GHAAMO COc1cc([C@@H]2C[C@H]3CN(c4ccccc4OC)C(=O)[C@]34CCC[N@H+]24)ccc1F ZINC000020859737 919664836 /nfs/dbraw/zinc/66/48/36/919664836.db2.gz AKNHIOJVPQVUNK-NVVBAYIOSA-N 1 1 396.462 3.785 50 0 GHAAMO COc1cc([C@@H]2C[C@H]3CN(c4ccccc4OC)C(=O)[C@]34CCC[N@@H+]24)ccc1F ZINC000020859737 919664847 /nfs/dbraw/zinc/66/48/47/919664847.db2.gz AKNHIOJVPQVUNK-NVVBAYIOSA-N 1 1 396.462 3.785 50 0 GHAAMO COc1ccc(CN2CC[N@@H+](CCCc3ccccc3)[C@H](CCO)C2)cc1C ZINC000039413053 919711255 /nfs/dbraw/zinc/71/12/55/919711255.db2.gz ZHQRKHOYQVNIHA-HSZRJFAPSA-N 1 1 382.548 3.505 50 0 GHAAMO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000129994135 922299626 /nfs/dbraw/zinc/29/96/26/922299626.db2.gz JRPZBXAQHKTIPD-UHFFFAOYSA-N 1 1 390.487 3.732 50 0 GHAAMO c1nc(N2CCCC2)sc1C[N@H+]1CCC[C@H](Nc2ccc3c(c2)OCO3)C1 ZINC000055368731 924041057 /nfs/dbraw/zinc/04/10/57/924041057.db2.gz YSSSTKAJRFGPHL-INIZCTEOSA-N 1 1 386.521 3.549 50 0 GHAAMO COCC1(C2CCC2)CN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000664208873 930492261 /nfs/dbraw/zinc/49/22/61/930492261.db2.gz ANACNORFYICFNZ-APWZRJJASA-N 1 1 391.581 3.589 50 0 GHAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000241383314 231038980 /nfs/dbraw/zinc/03/89/80/231038980.db2.gz MUFAMUXOGVQUJP-IRXDYDNUSA-N 1 1 385.533 3.645 50 0 GHAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@H]1c1cccs1 ZINC000241383314 231038982 /nfs/dbraw/zinc/03/89/82/231038982.db2.gz MUFAMUXOGVQUJP-IRXDYDNUSA-N 1 1 385.533 3.645 50 0 GHAAMO C(=C/c1ccccc1)\C[NH+]1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000002061508 206397761 /nfs/dbraw/zinc/39/77/61/206397761.db2.gz KDHZTZSKBYULCZ-JXMROGBWSA-N 1 1 396.498 3.651 50 0 GHAAMO CCCC[N@@H+](CC)CCNC(=O)c1cc2c(s1)c1ccccc1n(C)c2=O ZINC000005022432 206584717 /nfs/dbraw/zinc/58/47/17/206584717.db2.gz PBZPZRBFYOUOBJ-UHFFFAOYSA-N 1 1 385.533 3.605 50 0 GHAAMO Cc1[nH+]ccn1CCN(C)C(=O)C[C@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000012301091 206879795 /nfs/dbraw/zinc/87/97/95/206879795.db2.gz MFLCCVJIKFHTMQ-HXUWFJFHSA-N 1 1 391.471 3.601 50 0 GHAAMO COc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1OC ZINC000012776375 206936254 /nfs/dbraw/zinc/93/62/54/206936254.db2.gz QDWKHDOKBFIUIS-SFHVURJKSA-N 1 1 388.895 3.924 50 0 GHAAMO Cc1ccc2c(c1)cc(C[N@H+]1CCC[C@H](O)C1)c(=O)n2Cc1ccccc1Cl ZINC000014968781 207034606 /nfs/dbraw/zinc/03/46/06/207034606.db2.gz XFUGTWXHGIWCLX-FQEVSTJZSA-N 1 1 396.918 3.968 50 0 GHAAMO C[C@H]1C[N@@H+](CCC(=O)NCc2ccccc2C(F)(F)F)Cc2ccccc2O1 ZINC000014999885 207040828 /nfs/dbraw/zinc/04/08/28/207040828.db2.gz RBEORYAYZWGLGK-HNNXBMFYSA-N 1 1 392.421 3.995 50 0 GHAAMO C[C@@H](CNC(=O)c1ccncc1)Oc1cccc(C[N@@H+](C)Cc2cccs2)c1 ZINC000014985864 207038002 /nfs/dbraw/zinc/03/80/02/207038002.db2.gz APTKCPBNNSFBIS-KRWDZBQOSA-N 1 1 395.528 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C[NH+]1CCN([C@H](CNC(=O)Nc2ccc(Cl)cc2)c2cccs2)CC1 ZINC000022424466 207253690 /nfs/dbraw/zinc/25/36/90/207253690.db2.gz IOXWULBWANHKOX-MRXNPFEDSA-N 1 1 378.929 3.512 50 0 GHAAMO c1cnn(Cc2ccccc2CN[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c1 ZINC000022926086 207264424 /nfs/dbraw/zinc/26/44/24/207264424.db2.gz OLQLLPFRJYNOOL-XMMPIXPASA-N 1 1 386.543 3.653 50 0 GHAAMO c1cnn(Cc2ccccc2CN[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c1 ZINC000022926086 207264427 /nfs/dbraw/zinc/26/44/27/207264427.db2.gz OLQLLPFRJYNOOL-XMMPIXPASA-N 1 1 386.543 3.653 50 0 GHAAMO O=C(CCc1ncc(-c2ccccc2)o1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000023076464 207268414 /nfs/dbraw/zinc/26/84/14/207268414.db2.gz OBSSPRNZAOEAEF-FQEVSTJZSA-N 1 1 375.472 3.665 50 0 GHAAMO Cn1nccc1C(=O)N1CCC[C@@H]2C[N@@H+](Cc3cc4ccccc4s3)CC[C@@H]21 ZINC000023338101 207275437 /nfs/dbraw/zinc/27/54/37/207275437.db2.gz CONJDRKZDAOYKG-MJGOQNOKSA-N 1 1 394.544 3.762 50 0 GHAAMO O=C(CC[NH+]1CCN(Cc2ccc(Cl)s2)CC1)Nc1cccc(F)c1 ZINC000022934034 207264777 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50 0 GHAAMO CCn1nc(C(C)C)cc1C(=O)N(C)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072422052 208021481 /nfs/dbraw/zinc/02/14/81/208021481.db2.gz NNNMXFRWWDKOAL-HXUWFJFHSA-N 1 1 382.552 3.806 50 0 GHAAMO CCN(C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1)C1CCCC1 ZINC000082092618 208076305 /nfs/dbraw/zinc/07/63/05/208076305.db2.gz NGHSOOIGXHIIPS-OAQYLSRUSA-N 1 1 398.595 3.549 50 0 GHAAMO CCC[N@H+]1CCCn2nc(CNC(=O)Nc3cc(Cl)ccc3C)cc2C1 ZINC000082108190 208080362 /nfs/dbraw/zinc/08/03/62/208080362.db2.gz FKCHGNZVWWZJKX-UHFFFAOYSA-N 1 1 375.904 3.782 50 0 GHAAMO CC(=O)c1[nH]c(C)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)c1C ZINC000095369129 208166517 /nfs/dbraw/zinc/16/65/17/208166517.db2.gz ROEVUADKTVSALX-VQTJNVASSA-N 1 1 379.504 3.571 50 0 GHAAMO C[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CCc3ccncc3)CC2)C1 ZINC000095379032 208172291 /nfs/dbraw/zinc/17/22/91/208172291.db2.gz BPLLYLNNXJJKFG-QFIPXVFZSA-N 1 1 377.532 3.742 50 0 GHAAMO Cc1ccc(C[N@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000095384823 208174304 /nfs/dbraw/zinc/17/43/04/208174304.db2.gz DVCGUCQFMSDOEX-TUACAJSNSA-N 1 1 376.500 3.786 50 0 GHAAMO Cc1c(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)oc2ccccc12 ZINC000091974152 208145254 /nfs/dbraw/zinc/14/52/54/208145254.db2.gz VGMINJZUBVIDJU-IEBWSBKVSA-N 1 1 375.472 3.873 50 0 GHAAMO COCCN1C[C@]2(CCC[N@@H+](Cc3cccc4c(C)c(C)[nH]c43)C2)CCC1=O ZINC000092061752 208146908 /nfs/dbraw/zinc/14/69/08/208146908.db2.gz HVWQMTDFRYLRRH-HSZRJFAPSA-N 1 1 383.536 3.636 50 0 GHAAMO O=C(COc1ccc2ccccc2c1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000095349626 208155047 /nfs/dbraw/zinc/15/50/47/208155047.db2.gz QCCSIICVWFQTFZ-OAQYLSRUSA-N 1 1 388.511 3.899 50 0 GHAAMO CCc1ccc(C[N@H+]2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CCN3CC2)nc1 ZINC000095387875 208175903 /nfs/dbraw/zinc/17/59/03/208175903.db2.gz WUNCTAVEKWZMIC-RBZQAINGSA-N 1 1 377.532 3.715 50 0 GHAAMO CCc1ccc(CN2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)nc1 ZINC000095387875 208175906 /nfs/dbraw/zinc/17/59/06/208175906.db2.gz WUNCTAVEKWZMIC-RBZQAINGSA-N 1 1 377.532 3.715 50 0 GHAAMO COc1cc2c(cc1CN1C[C@H]3CC[C@@H]1C[N@@H+](Cc1ccccn1)C3)CCC2 ZINC000095391923 208177946 /nfs/dbraw/zinc/17/79/46/208177946.db2.gz RSZHDMHGMJYIJI-FDDCHVKYSA-N 1 1 377.532 3.675 50 0 GHAAMO CC(C)c1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C2Cc4ccccc4C2)C3)no1 ZINC000095391998 208179229 /nfs/dbraw/zinc/17/92/29/208179229.db2.gz CIXAACWXWYAPHW-QFBILLFUSA-N 1 1 379.504 3.502 50 0 GHAAMO COc1ccc(C2=CCN(C(=O)[C@H](c3ccccc3)[NH+]3CCSCC3)C2)cc1 ZINC000095456659 208186864 /nfs/dbraw/zinc/18/68/64/208186864.db2.gz USQYRISLUIUMMD-QFIPXVFZSA-N 1 1 394.540 3.711 50 0 GHAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)c1cc(Cl)cn1C ZINC000095500224 208202504 /nfs/dbraw/zinc/20/25/04/208202504.db2.gz HDLAAKCNUNCZGW-KRWDZBQOSA-N 1 1 391.918 3.844 50 0 GHAAMO Cc1c[nH]c(C(=O)N(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000095517005 208217067 /nfs/dbraw/zinc/21/70/67/208217067.db2.gz QDADWEAENFLPDO-FQEVSTJZSA-N 1 1 395.551 3.800 50 0 GHAAMO CCOC(=O)CCN1CCC([NH2+][C@@H](c2ccccc2)c2ccccc2OC)CC1 ZINC000095986467 208247991 /nfs/dbraw/zinc/24/79/91/208247991.db2.gz FDENVDXISMMRBZ-DEOSSOPVSA-N 1 1 396.531 3.792 50 0 GHAAMO CCc1c(C(=O)N2CC[NH+](CC)CC2)c(CC(C)C)nn1-c1ccccc1C ZINC000096299829 208304420 /nfs/dbraw/zinc/30/44/20/208304420.db2.gz CHIWSGRPVIJGEP-UHFFFAOYSA-N 1 1 382.552 3.719 50 0 GHAAMO O=c1occ(C[NH+]2CCCCCC2)c([O-])c1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000101373447 208391559 /nfs/dbraw/zinc/39/15/59/208391559.db2.gz ULYPMYDQNRDGJO-IBGZPJMESA-N 1 1 382.504 3.711 50 0 GHAAMO CCC(=O)N[C@H](C)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000023181668 208865504 /nfs/dbraw/zinc/86/55/04/208865504.db2.gz WNUHFYDYCLADRY-IIBYNOLFSA-N 1 1 387.549 3.535 50 0 GHAAMO Cc1nc2cc(NC(=O)NCC[N@H+]3CC[C@@H](c4ccccc4C)C3)ccc2[nH]1 ZINC000299781369 209088087 /nfs/dbraw/zinc/08/80/87/209088087.db2.gz DJIIRFWNHKZJEJ-QGZVFWFLSA-N 1 1 377.492 3.791 50 0 GHAAMO Cc1nc2ccc(NC(=O)NCC[N@@H+]3CC[C@@H](c4ccccc4C)C3)cc2[nH]1 ZINC000299781369 209088092 /nfs/dbraw/zinc/08/80/92/209088092.db2.gz DJIIRFWNHKZJEJ-QGZVFWFLSA-N 1 1 377.492 3.791 50 0 GHAAMO Cc1nc2ccc(NC(=O)NCC[N@H+]3CC[C@@H](c4ccccc4C)C3)cc2[nH]1 ZINC000299781369 209088097 /nfs/dbraw/zinc/08/80/97/209088097.db2.gz DJIIRFWNHKZJEJ-QGZVFWFLSA-N 1 1 377.492 3.791 50 0 GHAAMO Cc1cc[nH+]c(N2CCN(c3cc(-c4ccc(F)cc4)nc4ccnn43)CC2)c1 ZINC000072435619 136170234 /nfs/dbraw/zinc/17/02/34/136170234.db2.gz AGILBYQMCVQRJW-UHFFFAOYSA-N 1 1 388.450 3.565 50 0 GHAAMO CCCc1nc(N2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)cc(C)[nH+]1 ZINC000092003842 136177430 /nfs/dbraw/zinc/17/74/30/136177430.db2.gz LSPNFRJNEWAOHV-UHFFFAOYSA-N 1 1 393.535 3.542 50 0 GHAAMO O[C@H](c1ccc2c(c1)C[N@@H+](Cc1cccc3nccnc13)CCO2)c1ccccn1 ZINC000299759597 209082878 /nfs/dbraw/zinc/08/28/78/209082878.db2.gz PAVGMLRHFPHVDE-XMMPIXPASA-N 1 1 398.466 3.501 50 0 GHAAMO O[C@H](c1ccc2c(c1)C[N@H+](Cc1cccc3nccnc13)CCO2)c1ccccn1 ZINC000299759597 209082883 /nfs/dbraw/zinc/08/28/83/209082883.db2.gz PAVGMLRHFPHVDE-XMMPIXPASA-N 1 1 398.466 3.501 50 0 GHAAMO CCOc1cc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)ccc1OC ZINC000299769584 209084971 /nfs/dbraw/zinc/08/49/71/209084971.db2.gz QOVIDYDNAUCOQX-HBMCJLEFSA-N 1 1 394.515 3.936 50 0 GHAAMO Cc1ccccc1NC(=O)C[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000065184097 222107931 /nfs/dbraw/zinc/10/79/31/222107931.db2.gz GDEBCAZQNOMZET-UHFFFAOYSA-N 1 1 376.460 3.863 50 0 GHAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000012810568 570225034 /nfs/dbraw/zinc/22/50/34/570225034.db2.gz AINYWAMGPLPKAU-NRFANRHFSA-N 1 1 393.512 3.874 50 0 GHAAMO COCCn1cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c2ccccc21 ZINC000048302668 570234806 /nfs/dbraw/zinc/23/48/06/570234806.db2.gz CWOOOUZUVPEBBS-OAQYLSRUSA-N 1 1 399.922 3.974 50 0 GHAAMO CCOc1ccccc1C[N@@H+]1CCN(C/C=C/c2ccc(F)cc2)C[C@H]1CCO ZINC000105266293 570260579 /nfs/dbraw/zinc/26/05/79/570260579.db2.gz BDOSGKZJBGALKS-AWUSRGSFSA-N 1 1 398.522 3.806 50 0 GHAAMO CCOc1ccccc1C[N@H+]1CCN(C/C=C/c2ccc(F)cc2)C[C@H]1CCO ZINC000105266293 570260580 /nfs/dbraw/zinc/26/05/80/570260580.db2.gz BDOSGKZJBGALKS-AWUSRGSFSA-N 1 1 398.522 3.806 50 0 GHAAMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012284678 570281556 /nfs/dbraw/zinc/28/15/56/570281556.db2.gz JXHACHHWWUVFLH-ICSRJNTNSA-N 1 1 379.504 3.557 50 0 GHAAMO COc1cccc(C(=O)N2CC[NH+]([C@@H](C)Cc3nc4ccccc4s3)CC2)c1 ZINC000175416183 570282660 /nfs/dbraw/zinc/28/26/60/570282660.db2.gz LBQNFKPOOJRBFO-INIZCTEOSA-N 1 1 395.528 3.694 50 0 GHAAMO O=S(=O)(CC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1ccc(Br)cc1 ZINC000069873821 570312965 /nfs/dbraw/zinc/31/29/65/570312965.db2.gz LVJFBSWJALYWKC-MRXNPFEDSA-N 1 1 394.334 3.712 50 0 GHAAMO O=S(=O)(CC[N@H+]1CC[C@@H](c2ccccc2)C1)c1ccc(Br)cc1 ZINC000069873821 570312967 /nfs/dbraw/zinc/31/29/67/570312967.db2.gz LVJFBSWJALYWKC-MRXNPFEDSA-N 1 1 394.334 3.712 50 0 GHAAMO COc1cccc(NC(=O)CN2CC[NH+](Cc3csc4ccccc34)CC2)c1 ZINC000022931903 570337027 /nfs/dbraw/zinc/33/70/27/570337027.db2.gz SRHVORBDDQRLTE-UHFFFAOYSA-N 1 1 395.528 3.666 50 0 GHAAMO CCNC(=O)N[C@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1 ZINC000034855574 570341521 /nfs/dbraw/zinc/34/15/21/570341521.db2.gz KYHMMXHZESODQC-ZHRRBRCNSA-N 1 1 397.519 3.511 50 0 GHAAMO CCNC(=O)N[C@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1 ZINC000034855574 570341522 /nfs/dbraw/zinc/34/15/22/570341522.db2.gz KYHMMXHZESODQC-ZHRRBRCNSA-N 1 1 397.519 3.511 50 0 GHAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+](C)C[C@H](O)c4ccc(O)cc4)[C@H]3C=C12 ZINC000035361977 570344492 /nfs/dbraw/zinc/34/44/92/570344492.db2.gz UIYOCYWELGJUCX-ILEMCGPMSA-N 1 1 399.531 3.672 50 0 biogenic GHAAMO O[C@@H](Cc1ccccc1)c1cc2n(n1)CC[N@H+](C/C=C/c1ccc(F)cc1)C2 ZINC000220678659 570390426 /nfs/dbraw/zinc/39/04/26/570390426.db2.gz NDIHGKDUOGHFQN-ILHLOOHCSA-N 1 1 377.463 3.827 50 0 GHAAMO O[C@@H](Cc1ccccc1)c1cc2n(n1)CC[N@@H+](C/C=C/c1ccc(F)cc1)C2 ZINC000220678659 570390429 /nfs/dbraw/zinc/39/04/29/570390429.db2.gz NDIHGKDUOGHFQN-ILHLOOHCSA-N 1 1 377.463 3.827 50 0 GHAAMO CCc1ccccc1N1C(=O)C[C@@H](Nc2ccc([NH+]3CCCCC3)cc2)C1=O ZINC000004810477 570407406 /nfs/dbraw/zinc/40/74/06/570407406.db2.gz NFKFYOVWZRQPED-HXUWFJFHSA-N 1 1 377.488 3.983 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000222201002 570407486 /nfs/dbraw/zinc/40/74/86/570407486.db2.gz GOSAUHSDKWUBLU-SCLBCKFNSA-N 1 1 394.393 3.852 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000222201002 570407490 /nfs/dbraw/zinc/40/74/90/570407490.db2.gz GOSAUHSDKWUBLU-SCLBCKFNSA-N 1 1 394.393 3.852 50 0 GHAAMO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000241897339 570431742 /nfs/dbraw/zinc/43/17/42/570431742.db2.gz TXUKVVDUCZWXEL-JXFKEZNVSA-N 1 1 398.478 3.953 50 0 GHAAMO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000241897339 570431745 /nfs/dbraw/zinc/43/17/45/570431745.db2.gz TXUKVVDUCZWXEL-JXFKEZNVSA-N 1 1 398.478 3.953 50 0 GHAAMO O=C(CN1CCC[N@@H+](CC2CCCCC2)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000054318771 570495258 /nfs/dbraw/zinc/49/52/58/570495258.db2.gz GJFAKODHDMCBKW-UHFFFAOYSA-N 1 1 398.595 3.813 50 0 GHAAMO COc1cccc(C[N@@H+](CCC(C)C)C[C@H](O)COc2ccccc2)c1OC ZINC000036097271 570535471 /nfs/dbraw/zinc/53/54/71/570535471.db2.gz CTIWBLHFDMTRSS-FQEVSTJZSA-N 1 1 387.520 3.992 50 0 GHAAMO CC[C@H](C)NC(=O)CC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000040416121 570575378 /nfs/dbraw/zinc/57/53/78/570575378.db2.gz HJKNCPSXCUHDIE-FQEVSTJZSA-N 1 1 379.548 3.698 50 0 GHAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)Cc2cccc(C)c2)C1 ZINC000011754069 570581482 /nfs/dbraw/zinc/58/14/82/570581482.db2.gz OBDYWWAOJKYVIW-JOCHJYFZSA-N 1 1 394.559 3.959 50 0 GHAAMO CN(C(=O)CCC(=O)c1ccc(F)cc1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000011815525 570583837 /nfs/dbraw/zinc/58/38/37/570583837.db2.gz XHLXMBGWOFQWAJ-JOCHJYFZSA-N 1 1 396.506 3.954 50 0 GHAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1cccnc1OC ZINC000011879195 570590513 /nfs/dbraw/zinc/59/05/13/570590513.db2.gz BRDVWLDYZWOOEP-LJQANCHMSA-N 1 1 399.510 3.646 50 0 GHAAMO CCCCN(C)C(=O)[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000039438065 570591377 /nfs/dbraw/zinc/59/13/77/570591377.db2.gz QQQZSAHEMIPLIG-JOCHJYFZSA-N 1 1 385.596 3.664 50 0 GHAAMO O=C(CC[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1)NCc1ccc(F)c(F)c1 ZINC000011957003 570595858 /nfs/dbraw/zinc/59/58/58/570595858.db2.gz YYHHNZKKCSDIIV-INIZCTEOSA-N 1 1 388.458 3.979 50 0 GHAAMO c1c(C[N@H+]2CCOc3ccc(CN4CCOCC4)cc3C2)oc2ccccc12 ZINC000011974031 570596974 /nfs/dbraw/zinc/59/69/74/570596974.db2.gz ZOUVWGXYSVRJPC-UHFFFAOYSA-N 1 1 378.472 3.660 50 0 GHAAMO c1c(C[N@@H+]2CCOc3ccc(CN4CCOCC4)cc3C2)oc2ccccc12 ZINC000011974031 570596977 /nfs/dbraw/zinc/59/69/77/570596977.db2.gz ZOUVWGXYSVRJPC-UHFFFAOYSA-N 1 1 378.472 3.660 50 0 GHAAMO Cc1cccc(-n2cc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c(-c3cccc(F)c3)n2)c1 ZINC000011997359 570597444 /nfs/dbraw/zinc/59/74/44/570597444.db2.gz CFVZFSUPQJQOFF-GOSISDBHSA-N 1 1 392.478 3.684 50 0 GHAAMO CC(C)(C)CN1CCC[C@@]2(CC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)C1=O ZINC000012022235 570598725 /nfs/dbraw/zinc/59/87/25/570598725.db2.gz FVLUYXNPTZOSAU-QFIPXVFZSA-N 1 1 382.508 3.597 50 0 GHAAMO CCOc1ccccc1NC(=O)[C@@H](Sc1nc(N)cc(N)[nH+]1)c1ccccc1 ZINC000006831836 570635670 /nfs/dbraw/zinc/63/56/70/570635670.db2.gz CBBXDBUXUVTUSV-SFHVURJKSA-N 1 1 395.488 3.512 50 0 GHAAMO COc1cccc([C@H](C)N(C)C(=O)c2cc(Cn3cc[nH+]c3C(C)C)n[nH]2)c1 ZINC000012302958 570637037 /nfs/dbraw/zinc/63/70/37/570637037.db2.gz JQFPBUQMEVRRRS-HNNXBMFYSA-N 1 1 381.480 3.620 50 0 GHAAMO CC[NH+]1CCN([C@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)CC1 ZINC000022929805 570647214 /nfs/dbraw/zinc/64/72/14/570647214.db2.gz RYDVWYACHVLBNW-FQEVSTJZSA-N 1 1 387.911 3.666 50 0 GHAAMO O=c1cc(-c2ccccc2Cl)nc(-c2ccc(C[N@H+]3CCCOCC3)cc2)[nH]1 ZINC000048255128 570656626 /nfs/dbraw/zinc/65/66/26/570656626.db2.gz KCOAXMWESKTDFP-UHFFFAOYSA-N 1 1 395.890 3.980 50 0 GHAAMO O=c1cc(-c2ccccc2Cl)nc(-c2ccc(C[N@@H+]3CCC[C@@H]3CO)cc2)[nH]1 ZINC000048428315 570658415 /nfs/dbraw/zinc/65/84/15/570658415.db2.gz JPWRHLAEDNQOBI-QGZVFWFLSA-N 1 1 395.890 3.714 50 0 GHAAMO Cc1ccc(C)c(OCc2cc(C(=O)N3CCC[C@@]4(CCC[N@H+](C)C4)C3)no2)c1 ZINC000012431110 570659742 /nfs/dbraw/zinc/65/97/42/570659742.db2.gz MRVZBRXRXXKZAC-HSZRJFAPSA-N 1 1 397.519 3.818 50 0 GHAAMO Cc1c(O)ccc2c(C[N@H+]3CCCC[C@H]3[C@@H](O)c3ccccc3)cc(=O)oc12 ZINC000229766192 570666644 /nfs/dbraw/zinc/66/66/44/570666644.db2.gz XDXUQXVIUSCPPV-UGKGYDQZSA-N 1 1 379.456 3.895 50 0 GHAAMO COc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c(OC)c1 ZINC000012507325 570675273 /nfs/dbraw/zinc/67/52/73/570675273.db2.gz KJBVBBKOUWYLTN-QGZVFWFLSA-N 1 1 388.895 3.752 50 0 GHAAMO COc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c(OC)c1 ZINC000012507325 570675277 /nfs/dbraw/zinc/67/52/77/570675277.db2.gz KJBVBBKOUWYLTN-QGZVFWFLSA-N 1 1 388.895 3.752 50 0 GHAAMO Cc1noc(C)c1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(C)c1)C2 ZINC000012572109 570681347 /nfs/dbraw/zinc/68/13/47/570681347.db2.gz MIWSDLZVTHXDKH-HSZRJFAPSA-N 1 1 381.520 3.657 50 0 GHAAMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cc1 ZINC000012580235 570683195 /nfs/dbraw/zinc/68/31/95/570683195.db2.gz AKGSFGDXCAFDRC-LJQANCHMSA-N 1 1 390.487 3.732 50 0 GHAAMO C[N@H+](Cc1cc2ccccc2c(=O)[nH]1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000154628834 570685366 /nfs/dbraw/zinc/68/53/66/570685366.db2.gz JJCYOORXEQFBRI-RBUKOAKNSA-N 1 1 389.282 3.925 50 0 GHAAMO C[N@@H+](Cc1cc2ccccc2c(=O)[nH]1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000154628834 570685367 /nfs/dbraw/zinc/68/53/67/570685367.db2.gz JJCYOORXEQFBRI-RBUKOAKNSA-N 1 1 389.282 3.925 50 0 GHAAMO CC[NH+]1CCN(C(=O)c2c(NC(=O)c3ccccc3)sc3c2CCCC3)CC1 ZINC000055250674 570688894 /nfs/dbraw/zinc/68/88/94/570688894.db2.gz XZVSQBWWWUGUEZ-UHFFFAOYSA-N 1 1 397.544 3.657 50 0 GHAAMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4cnccn4)C3)C2)cc1 ZINC000012710849 570702066 /nfs/dbraw/zinc/70/20/66/570702066.db2.gz HFFKMYIVEPMHDU-QHCPKHFHSA-N 1 1 378.520 3.728 50 0 GHAAMO OC[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000012715621 570704180 /nfs/dbraw/zinc/70/41/80/570704180.db2.gz KPSMRBZGOPFMET-HSZRJFAPSA-N 1 1 379.479 3.829 50 0 GHAAMO COc1cc(NC(=O)CC[C@@H]2CCC[N@@H+](CCCSC)C2)cc(OC)c1 ZINC000012718359 570705350 /nfs/dbraw/zinc/70/53/50/570705350.db2.gz SWTKJGIYYRDFMH-INIZCTEOSA-N 1 1 380.554 3.888 50 0 GHAAMO Cc1cccc(-n2cc(C[N@H+]3CCCN(C=O)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000012762652 570711201 /nfs/dbraw/zinc/71/12/01/570711201.db2.gz KZXGJMWXXBWIAH-UHFFFAOYSA-N 1 1 392.478 3.651 50 0 GHAAMO CCOC(=O)c1sc2[nH]c([C@@H](C)[NH2+]C3CCC(C)CC3)nc(=O)c2c1C ZINC000058156680 570711289 /nfs/dbraw/zinc/71/12/89/570711289.db2.gz KYSHVUDMJSIKME-YXMLORGKSA-N 1 1 377.510 3.699 50 0 GHAAMO CCn1cc(CC[NH+]2CCN(C(=O)c3cc(C)cc(C)c3)CC2)c2cccnc21 ZINC000065164649 570720266 /nfs/dbraw/zinc/72/02/66/570720266.db2.gz ROXFFRBMWLFCRO-UHFFFAOYSA-N 1 1 390.531 3.674 50 0 GHAAMO CSc1ccccc1NC(=O)CC[NH+]1CCN(Cc2cccs2)CC1 ZINC000022932552 570732598 /nfs/dbraw/zinc/73/25/98/570732598.db2.gz GEYMORPJPVHRTP-UHFFFAOYSA-N 1 1 375.563 3.616 50 0 GHAAMO COc1cccc(C[N@H+](C)CC(=O)Nc2cc(C)nn2-c2ccccc2C)c1 ZINC000012976833 570735073 /nfs/dbraw/zinc/73/50/73/570735073.db2.gz TUEJJGJQTUBJAV-UHFFFAOYSA-N 1 1 378.476 3.568 50 0 GHAAMO COc1cccc(C[N@@H+](C)CC(=O)Nc2cc(C)nn2-c2ccccc2C)c1 ZINC000012976833 570735075 /nfs/dbraw/zinc/73/50/75/570735075.db2.gz TUEJJGJQTUBJAV-UHFFFAOYSA-N 1 1 378.476 3.568 50 0 GHAAMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCOc2ccc(F)cc2)cc1Cl ZINC000015101708 570736171 /nfs/dbraw/zinc/73/61/71/570736171.db2.gz KQHIMHLXOQBTQO-CYBMUJFWSA-N 1 1 380.847 3.826 50 0 GHAAMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCOc2ccc(F)cc2)cc1Cl ZINC000015101708 570736173 /nfs/dbraw/zinc/73/61/73/570736173.db2.gz KQHIMHLXOQBTQO-CYBMUJFWSA-N 1 1 380.847 3.826 50 0 GHAAMO CC[N@@H+](CCNC(=O)CCc1cc2ccc(C)cc2[nH]c1=O)Cc1ccccc1 ZINC000065245618 570747100 /nfs/dbraw/zinc/74/71/00/570747100.db2.gz WIRXVLDSVVAGJN-UHFFFAOYSA-N 1 1 391.515 3.820 50 0 GHAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccc(F)c1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000052456197 570749924 /nfs/dbraw/zinc/74/99/24/570749924.db2.gz XPEIDVALRBKKRD-XMSQKQJNSA-N 1 1 381.495 3.605 50 0 GHAAMO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000052456197 570749926 /nfs/dbraw/zinc/74/99/26/570749926.db2.gz XPEIDVALRBKKRD-XMSQKQJNSA-N 1 1 381.495 3.605 50 0 GHAAMO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000036663890 570783682 /nfs/dbraw/zinc/78/36/82/570783682.db2.gz RMJNLOWQRFEQEO-SFHVURJKSA-N 1 1 394.906 3.838 50 0 GHAAMO CC[N@@H+](C)[C@H](C)C(=O)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000067713746 570787223 /nfs/dbraw/zinc/78/72/23/570787223.db2.gz XEYIZQISIKSZPF-GFCCVEGCSA-N 1 1 381.398 3.585 50 0 GHAAMO COc1ccc(-c2nc(C[N@@H+]3CCC(=O)NC[C@H]3C)c(C)o2)c2ccccc12 ZINC000071315714 570832292 /nfs/dbraw/zinc/83/22/92/570832292.db2.gz KYYOSKSYFNPOIS-CQSZACIVSA-N 1 1 379.460 3.522 50 0 GHAAMO COc1ccc(-c2nc(C[N@H+]3CCC(=O)NC[C@H]3C)c(C)o2)c2ccccc12 ZINC000071315714 570832297 /nfs/dbraw/zinc/83/22/97/570832297.db2.gz KYYOSKSYFNPOIS-CQSZACIVSA-N 1 1 379.460 3.522 50 0 GHAAMO Cc1cccc2nc(C(=O)N3CC[NH+](Cc4cccc5ccccc54)CC3)cn21 ZINC000012530731 570833740 /nfs/dbraw/zinc/83/37/40/570833740.db2.gz MGXSGMAAWCGXBS-UHFFFAOYSA-N 1 1 384.483 3.754 50 0 GHAAMO CC(C)c1noc(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)n1 ZINC000071755065 570848641 /nfs/dbraw/zinc/84/86/41/570848641.db2.gz KCZPRHBSJIECQR-GOSISDBHSA-N 1 1 388.487 3.591 50 0 GHAAMO CC(C)c1noc(C[N@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)n1 ZINC000071755065 570848643 /nfs/dbraw/zinc/84/86/43/570848643.db2.gz KCZPRHBSJIECQR-GOSISDBHSA-N 1 1 388.487 3.591 50 0 GHAAMO CC(=O)c1ccccc1-c1ccc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cn1 ZINC000071762534 570850466 /nfs/dbraw/zinc/85/04/66/570850466.db2.gz LWQYSMSNAGGCIX-GOSISDBHSA-N 1 1 379.504 3.659 50 0 GHAAMO CCc1cnc(N2CC[NH+]([C@H](C)c3ccc(OC)c(NC(C)=O)c3)CC2)s1 ZINC000170602793 570861978 /nfs/dbraw/zinc/86/19/78/570861978.db2.gz XNLXROOFTRKDKU-CQSZACIVSA-N 1 1 388.537 3.556 50 0 GHAAMO Cc1ccccc1C[N@@H+]1CCCn2nc(CN(C)CC[C@@H]3CCCCO3)cc2C1 ZINC000072133552 570868747 /nfs/dbraw/zinc/86/87/47/570868747.db2.gz XLOQMPIROSFMLM-DEOSSOPVSA-N 1 1 396.579 3.988 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(c4ccnc(SC)n4)C3)C2)c1 ZINC000072159321 570875261 /nfs/dbraw/zinc/87/52/61/570875261.db2.gz OXZWYZYGYBJIKF-NRFANRHFSA-N 1 1 384.549 3.700 50 0 GHAAMO COCC1(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)CCC1 ZINC000072162766 570875655 /nfs/dbraw/zinc/87/56/55/570875655.db2.gz IQYFQXAUJPEOOQ-FQEVSTJZSA-N 1 1 376.516 3.701 50 0 GHAAMO C[C@H]1CCC[N@H+]1Cc1cc2n(n1)CCN(Cc1coc(-c3ccccc3)n1)C2 ZINC000072166928 570876221 /nfs/dbraw/zinc/87/62/21/570876221.db2.gz HEHDZIRLGODZFN-KRWDZBQOSA-N 1 1 377.492 3.538 50 0 GHAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(-c2cc(F)ccc2Cl)cc1 ZINC000534656815 570915864 /nfs/dbraw/zinc/91/58/64/570915864.db2.gz OUELAZOYBIXJMI-UHFFFAOYSA-N 1 1 376.859 3.598 50 0 GHAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Nc1ccc(OC)cc1 ZINC000263586206 570918091 /nfs/dbraw/zinc/91/80/91/570918091.db2.gz RGLAPJIXASBEOH-GHTZIAJQSA-N 1 1 389.540 3.830 50 0 biogenic GHAAMO C[N@H+]1CCC[C@H]1CCNC(=O)c1cccc(-c2cc3ccccc3[nH]c2=O)c1 ZINC000534676183 570922444 /nfs/dbraw/zinc/92/24/44/570922444.db2.gz MNVFVKCLJIHRGF-IBGZPJMESA-N 1 1 375.472 3.822 50 0 GHAAMO C[NH+]1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2F)CC1 ZINC000004053823 570925878 /nfs/dbraw/zinc/92/58/78/570925878.db2.gz WVVAXIYEFMURNB-UHFFFAOYSA-N 1 1 393.915 3.962 50 0 GHAAMO O=C1N[C@H](c2ccncc2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000004091844 570933983 /nfs/dbraw/zinc/93/39/83/570933983.db2.gz ZEZMYEUJLGBNPL-IBGZPJMESA-N 1 1 376.485 3.556 50 0 GHAAMO O=C1N[C@H](c2ccncc2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000004091844 570933984 /nfs/dbraw/zinc/93/39/84/570933984.db2.gz ZEZMYEUJLGBNPL-IBGZPJMESA-N 1 1 376.485 3.556 50 0 GHAAMO CNC(=O)C1CC[NH+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000023200123 570966363 /nfs/dbraw/zinc/96/63/63/570966363.db2.gz CPQZZCZSGWKDRW-UHFFFAOYSA-N 1 1 383.439 3.787 50 0 GHAAMO CC[N@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1ccc2[nH]ccc2c1 ZINC000252490240 570970785 /nfs/dbraw/zinc/97/07/85/570970785.db2.gz KMWZJQQXBKEYMR-UHFFFAOYSA-N 1 1 390.487 3.521 50 0 GHAAMO CC[N@@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1ccc2[nH]ccc2c1 ZINC000252490240 570970790 /nfs/dbraw/zinc/97/07/90/570970790.db2.gz KMWZJQQXBKEYMR-UHFFFAOYSA-N 1 1 390.487 3.521 50 0 GHAAMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000011366239 570986928 /nfs/dbraw/zinc/98/69/28/570986928.db2.gz XXENCWHFRJDFCF-UHFFFAOYSA-N 1 1 383.444 3.846 50 0 GHAAMO OCC[C@H]1C[N@@H+](Cc2c[nH]c3ccccc23)CCN1Cc1ccc(F)c(F)c1 ZINC000023373696 836821064 /nfs/dbraw/zinc/82/10/64/836821064.db2.gz APBINBCZRMVJCW-SFHVURJKSA-N 1 1 385.458 3.515 50 0 GHAAMO COc1cccc(C[N@H+]2CCCCCNC(=O)C[C@H]2c2ccccc2)c1OC ZINC000257181301 838807419 /nfs/dbraw/zinc/80/74/19/838807419.db2.gz MULSSWGPPQCBQT-FQEVSTJZSA-N 1 1 382.504 3.937 50 0 GHAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(Cc3cccc(C)n3)C2)cc1OC ZINC000020539958 839953315 /nfs/dbraw/zinc/95/33/15/839953315.db2.gz SZZXTIMATUOOAR-OAQYLSRUSA-N 1 1 383.536 3.546 50 0 GHAAMO C[N@@H+](Cc1ccc2c[nH]nc2c1)[C@H]1CCCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000660124831 840305000 /nfs/dbraw/zinc/30/50/00/840305000.db2.gz KXQKQJJQGJOUDF-NRFANRHFSA-N 1 1 388.519 3.926 50 0 GHAAMO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000055405784 861192229 /nfs/dbraw/zinc/19/22/29/861192229.db2.gz YXWHAUKPJBUSEA-KBPBESRZSA-N 1 1 392.906 3.823 50 0 GHAAMO CCN1CCCn2nc([C@@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)cc2C1=O ZINC000675006163 840845067 /nfs/dbraw/zinc/84/50/67/840845067.db2.gz GZXHDTRRBQFISZ-QGZVFWFLSA-N 1 1 386.927 3.782 50 0 GHAAMO COc1ccccc1CNC(=O)[C@@H]1OCC[N@@H+](C2CCCC2)[C@H]1c1ccccc1 ZINC000675011633 840860814 /nfs/dbraw/zinc/86/08/14/840860814.db2.gz VABJJJCQLONLOP-XZOQPEGZSA-N 1 1 394.515 3.696 50 0 GHAAMO O=C(Cc1ccc(Br)cc1)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225686328 861249518 /nfs/dbraw/zinc/24/95/18/861249518.db2.gz MFYUNFIUVVHGHR-FQEVSTJZSA-N 1 1 399.332 3.651 50 0 GHAAMO Cc1ccc2nc([C@@H]([NH2+]C3CCN(C(=O)c4ccccn4)CC3)C(C)C)[nH]c2c1 ZINC000820711201 862093832 /nfs/dbraw/zinc/09/38/32/862093832.db2.gz GIFNVZOHRLBHTA-NRFANRHFSA-N 1 1 391.519 3.858 50 0 GHAAMO C[N@H+](CC(=O)NC(=O)NC1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000057449495 862098943 /nfs/dbraw/zinc/09/89/43/862098943.db2.gz DHQNPHLQMFXWKQ-UHFFFAOYSA-N 1 1 379.504 3.866 50 0 GHAAMO C[N@@H+](CC(=O)NC(=O)NC1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000057449495 862098957 /nfs/dbraw/zinc/09/89/57/862098957.db2.gz DHQNPHLQMFXWKQ-UHFFFAOYSA-N 1 1 379.504 3.866 50 0 GHAAMO COc1ccc(Cl)cc1NC(=S)N1CCC([N@@H+](C)C[C@H]2CCCO2)CC1 ZINC000003058319 862152703 /nfs/dbraw/zinc/15/27/03/862152703.db2.gz VLTXACOKBKDETJ-MRXNPFEDSA-N 1 1 397.972 3.621 50 0 GHAAMO C[N@@H+]1CCN(C(=O)CCCc2nc(-c3ccccc3)no2)[C@@H](c2ccccc2)C1 ZINC000030030360 862204662 /nfs/dbraw/zinc/20/46/62/862204662.db2.gz XXTCXOZYIJIQKK-HXUWFJFHSA-N 1 1 390.487 3.575 50 0 GHAAMO C[N@H+]1CCN(C(=O)CCCc2nc(-c3ccccc3)no2)[C@@H](c2ccccc2)C1 ZINC000030030360 862204678 /nfs/dbraw/zinc/20/46/78/862204678.db2.gz XXTCXOZYIJIQKK-HXUWFJFHSA-N 1 1 390.487 3.575 50 0 GHAAMO CCOC(=O)c1c(NC(=O)[C@@H](C)[NH2+]Cc2ccco2)sc2c1CC[C@H](C)C2 ZINC000003292308 862314698 /nfs/dbraw/zinc/31/46/98/862314698.db2.gz MAVYPFZMAMHYOF-QWHCGFSZSA-N 1 1 390.505 3.759 50 0 GHAAMO Cc1cc(NC(=O)C[N@H+](C)CCOc2ccccc2)ccc1Br ZINC000003323063 862341184 /nfs/dbraw/zinc/34/11/84/862341184.db2.gz MKQKBSCRKSUBOY-UHFFFAOYSA-N 1 1 377.282 3.707 50 0 GHAAMO Cc1cc(NC(=O)C[N@@H+](C)CCOc2ccccc2)ccc1Br ZINC000003323063 862341204 /nfs/dbraw/zinc/34/12/04/862341204.db2.gz MKQKBSCRKSUBOY-UHFFFAOYSA-N 1 1 377.282 3.707 50 0 GHAAMO C[C@@H](NC(=O)CSc1nc(C[NH+](C)C)nc2ccccc21)c1ccccc1 ZINC000031619141 862633048 /nfs/dbraw/zinc/63/30/48/862633048.db2.gz UIZZANZASJMLMD-OAHLLOKOSA-N 1 1 380.517 3.661 50 0 GHAAMO COc1cc(C)c(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1OC ZINC000008157379 856019774 /nfs/dbraw/zinc/01/97/74/856019774.db2.gz SUHAAHLAVXXBOK-MRXNPFEDSA-N 1 1 385.508 3.537 50 0 GHAAMO COc1cc(C)c(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1OC ZINC000008157379 856019780 /nfs/dbraw/zinc/01/97/80/856019780.db2.gz SUHAAHLAVXXBOK-MRXNPFEDSA-N 1 1 385.508 3.537 50 0 GHAAMO O=C(CN1CCC[C@H]1c1cccs1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000008341057 856131674 /nfs/dbraw/zinc/13/16/74/856131674.db2.gz KTDMKRMUGHALRX-FQEVSTJZSA-N 1 1 383.561 3.666 50 0 GHAAMO COc1cc2c(cc1O)[C@@H](CCc1cc(OC)c(OC)c(OC)c1)[N@@H+](C)CC2 ZINC000004557442 856462556 /nfs/dbraw/zinc/46/25/56/856462556.db2.gz HQDCEIRENZLSPH-QGZVFWFLSA-N 1 1 387.476 3.588 50 0 GHAAMO Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000040013052 856628104 /nfs/dbraw/zinc/62/81/04/856628104.db2.gz WKKCSLDWKGDGKJ-UHFFFAOYSA-N 1 1 390.531 3.670 50 0 GHAAMO O=S(=O)(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)c1cccc(F)c1 ZINC000008901377 856640973 /nfs/dbraw/zinc/64/09/73/856640973.db2.gz XSPVVHLBKZVYOT-GOSISDBHSA-N 1 1 382.526 3.783 50 0 GHAAMO COc1ccc(CC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000040107128 856664265 /nfs/dbraw/zinc/66/42/65/856664265.db2.gz GNGVAHDJZAYRNY-SFHVURJKSA-N 1 1 396.531 3.795 50 0 GHAAMO CC[C@@H](C)C[NH+]1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000011661298 856877026 /nfs/dbraw/zinc/87/70/26/856877026.db2.gz QCQRJHRHRSFASV-HXUWFJFHSA-N 1 1 385.596 3.568 50 0 GHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 ZINC000009305888 857093923 /nfs/dbraw/zinc/09/39/23/857093923.db2.gz IZVNIWZADSCVHW-GOSISDBHSA-N 1 1 390.483 3.983 50 0 GHAAMO CC(C)Oc1ccc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1CO ZINC000011775786 857329343 /nfs/dbraw/zinc/32/93/43/857329343.db2.gz AFTCPNXDOWZFCA-DEOSSOPVSA-N 1 1 383.532 3.783 50 0 GHAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(C(=O)C3=CCCCC3)C2)cc1OC ZINC000011957487 858287450 /nfs/dbraw/zinc/28/74/50/858287450.db2.gz YFFYJFQPJKWKQX-HXUWFJFHSA-N 1 1 386.536 3.670 50 0 GHAAMO Cc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccc(C(C)C)cc2)C3=O)cn1 ZINC000012302287 859186709 /nfs/dbraw/zinc/18/67/09/859186709.db2.gz VSQLUTMWABIBAD-DEOSSOPVSA-N 1 1 392.547 3.923 50 0 GHAAMO O[C@]1(c2ccccn2)CCOC2(CC[NH+](Cc3c(F)cccc3Cl)CC2)C1 ZINC000257174047 859304101 /nfs/dbraw/zinc/30/41/01/859304101.db2.gz BRSNHBLROYWWCR-OAQYLSRUSA-N 1 1 390.886 3.907 50 0 GHAAMO CC(C)Oc1ccc(C[N@@H+](C)[C@H]2CCc3nnc(C4CCOCC4)n3CC2)cc1 ZINC000257173936 859313194 /nfs/dbraw/zinc/31/31/94/859313194.db2.gz ALYIAWQDJWPXDN-FQEVSTJZSA-N 1 1 398.551 3.796 50 0 GHAAMO CCn1nc(C)cc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCCc1ccccc1)C2 ZINC000012744675 859548251 /nfs/dbraw/zinc/54/82/51/859548251.db2.gz NOKHMNVFMUVTRQ-XMMPIXPASA-N 1 1 394.563 3.772 50 0 GHAAMO CC(C)[N@H+]1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000257181068 859574366 /nfs/dbraw/zinc/57/43/66/859574366.db2.gz FDSZMWIYDUKSRH-NRFANRHFSA-N 1 1 384.545 3.923 50 0 GHAAMO Cn1cnnc1Sc1ccc(C[N@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)o1 ZINC000012298269 859761905 /nfs/dbraw/zinc/76/19/05/859761905.db2.gz RSYLQLFAIGSZLF-INIZCTEOSA-N 1 1 387.484 3.775 50 0 GHAAMO CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCC[N@@H+](Cc2cc(C)n[nH]2)C1 ZINC000012300143 859783158 /nfs/dbraw/zinc/78/31/58/859783158.db2.gz AETUDTDXXICRQA-HXUWFJFHSA-N 1 1 375.900 3.760 50 0 GHAAMO CSc1cccc([C@@H]2C[C@H]3CN(Cc4cccnc4)C(=O)[C@]34CCC[N@@H+]24)c1 ZINC000012301657 859825325 /nfs/dbraw/zinc/82/53/25/859825325.db2.gz OAEGMAUMVYDWSL-VCOUNFBDSA-N 1 1 379.529 3.742 50 0 GHAAMO CC(=O)c1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)s1 ZINC000012386936 861095630 /nfs/dbraw/zinc/09/56/30/861095630.db2.gz OJYBYATWZRQIRD-SFHVURJKSA-N 1 1 382.529 3.655 50 0 GHAAMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 ZINC000184416052 864459781 /nfs/dbraw/zinc/45/97/81/864459781.db2.gz DRJWOKKPKWIXTJ-KRWDZBQOSA-N 1 1 398.555 3.903 50 0 GHAAMO CC(C)c1nccn1[C@H](C)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCC2)cc1 ZINC000828052277 865175341 /nfs/dbraw/zinc/17/53/41/865175341.db2.gz PZSFUDMGDZPVMC-QGZVFWFLSA-N 1 1 397.523 3.631 50 0 GHAAMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCC(OCCc2ccccc2)CC1 ZINC000174183300 865539579 /nfs/dbraw/zinc/53/95/79/865539579.db2.gz QEFMWHHGTPVCDE-QFIPXVFZSA-N 1 1 399.579 3.684 50 0 GHAAMO CC(C)C[N@@H+](Cc1cccnc1)C1CN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000581776649 869968354 /nfs/dbraw/zinc/96/83/54/869968354.db2.gz ZNDKLFUXRIOXPU-UHFFFAOYSA-N 1 1 390.531 3.865 50 0 GHAAMO CC[NH+](CC)[C@H]1CCOC2(CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)C1 ZINC000581784091 869982553 /nfs/dbraw/zinc/98/25/53/869982553.db2.gz CFQPJFMPNTZRLI-IBGZPJMESA-N 1 1 396.535 3.572 50 0 GHAAMO c1ccc(-c2nc(-c3ccncc3)no2)c(O[C@@H]2CC[N@H+](Cc3cccnc3)C2)c1 ZINC000581790135 870005346 /nfs/dbraw/zinc/00/53/46/870005346.db2.gz LMHBFYVCPCGPKI-LJQANCHMSA-N 1 1 399.454 3.847 50 0 GHAAMO Cc1c[nH+]c(C[C@H]2CCCN(C(=O)C3CCOCC3)C2)n1Cc1ccc(F)cc1 ZINC000581816425 870046018 /nfs/dbraw/zinc/04/60/18/870046018.db2.gz BZEWOKCYSNEXJL-LJQANCHMSA-N 1 1 399.510 3.587 50 0 GHAAMO Cc1c[nH+]c(C[C@H]2CCCN(S(=O)(=O)c3cccc(F)c3)C2)n1C(C)C ZINC000575317332 873792660 /nfs/dbraw/zinc/79/26/60/873792660.db2.gz GERBWLIOZWLVTF-MRXNPFEDSA-N 1 1 379.501 3.555 50 0 GHAAMO Cc1cccc(N2CCC(N3CC[N@H+](C4CCCCC4)[C@H](CCO)C3)CC2)c1C ZINC000036385599 904470590 /nfs/dbraw/zinc/47/05/90/904470590.db2.gz NQXNYDGQYLLNIY-XMMPIXPASA-N 1 1 399.623 3.974 50 0 GHAAMO Cc1cccc(N2CCC([N@@H+]3CCN(C4CCCCC4)[C@H](CCO)C3)CC2)c1C ZINC000036385599 904470594 /nfs/dbraw/zinc/47/05/94/904470594.db2.gz NQXNYDGQYLLNIY-XMMPIXPASA-N 1 1 399.623 3.974 50 0 GHAAMO Cc1cccc(N2CCC([N@H+]3CCN(C4CCCCC4)[C@H](CCO)C3)CC2)c1C ZINC000036385599 904470597 /nfs/dbraw/zinc/47/05/97/904470597.db2.gz NQXNYDGQYLLNIY-XMMPIXPASA-N 1 1 399.623 3.974 50 0 GHAAMO O=C(/C=C\c1ccc(F)c(Cl)c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000096943898 915261955 /nfs/dbraw/zinc/26/19/55/915261955.db2.gz NGEWDONNLSEIQN-VURMDHGXSA-N 1 1 388.870 3.641 50 0 GHAAMO Cc1nc(-c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)cc2)n[nH]1 ZINC000468941874 919304894 /nfs/dbraw/zinc/30/48/94/919304894.db2.gz KYRWRWZCVIKHTK-FQEVSTJZSA-N 1 1 375.476 3.773 50 0 GHAAMO O=C(c1ccc(F)cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2Cc3ccccc3C2)C1 ZINC000014988965 919352042 /nfs/dbraw/zinc/35/20/42/919352042.db2.gz CWHOFIQKCBBXHN-OFNKIYASSA-N 1 1 378.491 3.920 50 0 GHAAMO Cc1ccc(S(=O)(=O)C[C@H](C[NH+]2CCC(C)CC2)N2CCC(C)CC2)cc1 ZINC000019363727 210244813 /nfs/dbraw/zinc/24/48/13/210244813.db2.gz XNAOGRWKUALYNB-NRFANRHFSA-N 1 1 392.609 3.601 50 0 GHAAMO CCn1cc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccc(OC)cc3)C2)c(C)n1 ZINC000426575098 231242600 /nfs/dbraw/zinc/24/26/00/231242600.db2.gz XISQUZYQYWUZHM-OAQYLSRUSA-N 1 1 384.568 3.607 50 0 GHAAMO Cn1cnnc1Sc1ccc(CN2CCC[C@@H]([N@@H+](C)Cc3ccccc3)C2)o1 ZINC000019226400 210233651 /nfs/dbraw/zinc/23/36/51/210233651.db2.gz OKXJAJFRGNEJCS-GOSISDBHSA-N 1 1 397.548 3.656 50 0 GHAAMO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000016342686 210189507 /nfs/dbraw/zinc/18/95/07/210189507.db2.gz JSTYNTRHAALTTJ-HXUWFJFHSA-N 1 1 399.922 3.746 50 0 GHAAMO CCN1C[C@@H](C[N@H+](C)Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)CC1=O ZINC000015075160 210150574 /nfs/dbraw/zinc/15/05/74/210150574.db2.gz XGNJXDYTWYVUDM-GOSISDBHSA-N 1 1 396.535 3.538 50 0 GHAAMO CCN1C[C@@H](C[N@@H+](C)Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)CC1=O ZINC000015075160 210150580 /nfs/dbraw/zinc/15/05/80/210150580.db2.gz XGNJXDYTWYVUDM-GOSISDBHSA-N 1 1 396.535 3.538 50 0 GHAAMO O=C(NC[C@H]1CCC[N@H+](C2CCOCC2)C1)c1ccc(-c2ccccc2)cc1 ZINC000015065952 210147090 /nfs/dbraw/zinc/14/70/90/210147090.db2.gz JZWONTFQZSJORR-LJQANCHMSA-N 1 1 378.516 3.974 50 0 GHAAMO CSc1nc(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3F)C2)cs1 ZINC000014967613 210135094 /nfs/dbraw/zinc/13/50/94/210135094.db2.gz HCSKGIWYHFHGFR-AWEZNQCLSA-N 1 1 379.526 3.741 50 0 GHAAMO CSc1nc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)cs1 ZINC000014967613 210135098 /nfs/dbraw/zinc/13/50/98/210135098.db2.gz HCSKGIWYHFHGFR-AWEZNQCLSA-N 1 1 379.526 3.741 50 0 GHAAMO Cn1cc(C[N@@H+](C)C[C@@H]2COCCO2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000014962877 210133162 /nfs/dbraw/zinc/13/31/62/210133162.db2.gz KIDCIRJOAMEBIX-JOCHJYFZSA-N 1 1 383.536 3.982 50 0 GHAAMO COc1ccc(C(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c(O)c1 ZINC000013003738 210046305 /nfs/dbraw/zinc/04/63/05/210046305.db2.gz QJILURDBDLYMCC-UHFFFAOYSA-N 1 1 397.862 3.565 50 0 GHAAMO COCC[N@H+](CC(=O)Nc1ccc(Br)cc1C)Cc1ccccc1 ZINC000012984374 210040113 /nfs/dbraw/zinc/04/01/13/210040113.db2.gz MPEHYAXHMZFLQW-UHFFFAOYSA-N 1 1 391.309 3.845 50 0 GHAAMO COCC[N@@H+](CC(=O)Nc1ccc(Br)cc1C)Cc1ccccc1 ZINC000012984374 210040118 /nfs/dbraw/zinc/04/01/18/210040118.db2.gz MPEHYAXHMZFLQW-UHFFFAOYSA-N 1 1 391.309 3.845 50 0 GHAAMO Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000012810131 210012419 /nfs/dbraw/zinc/01/24/19/210012419.db2.gz OWAWBUYPOYIYBY-FQEVSTJZSA-N 1 1 392.484 3.544 50 0 GHAAMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@H](CN4CCCC4=O)C3)c(C)o2)cc1 ZINC000012762227 210005482 /nfs/dbraw/zinc/00/54/82/210005482.db2.gz ACNHMRGHBVWJNG-SFHVURJKSA-N 1 1 397.519 3.883 50 0 GHAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000012756769 210003842 /nfs/dbraw/zinc/00/38/42/210003842.db2.gz YLSGMJZIEQVVCE-YWZLYKJASA-N 1 1 386.467 3.857 50 0 GHAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000012756769 210003847 /nfs/dbraw/zinc/00/38/47/210003847.db2.gz YLSGMJZIEQVVCE-YWZLYKJASA-N 1 1 386.467 3.857 50 0 GHAAMO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000002902533 209397399 /nfs/dbraw/zinc/39/73/99/209397399.db2.gz ZGDQIDPOCBAYJK-JOCHJYFZSA-N 1 1 392.499 3.672 50 0 GHAAMO CCOc1cccc(N2C(=O)C[C@H]([NH+]3CCC(Cc4ccccc4)CC3)C2=O)c1 ZINC000000842568 209271691 /nfs/dbraw/zinc/27/16/91/209271691.db2.gz IQIKCSZVQKHYRN-QFIPXVFZSA-N 1 1 392.499 3.672 50 0 GHAAMO CC(C)CC[N@H+]1CCN(Cc2nc(-c3ccc(F)cc3)cs2)C[C@H]1CCO ZINC000036385589 209192441 /nfs/dbraw/zinc/19/24/41/209192441.db2.gz HIQFZJIVNAEVQP-LJQANCHMSA-N 1 1 391.556 3.864 50 0 GHAAMO COc1cc(OC)c(OC)cc1CN1CC[C@@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC000055271065 212058447 /nfs/dbraw/zinc/05/84/47/212058447.db2.gz SNGVLOYLBTVVQU-QHCPKHFHSA-N 1 1 388.552 3.800 50 0 GHAAMO O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000299784094 212037853 /nfs/dbraw/zinc/03/78/53/212037853.db2.gz LFVZLKVFVUVSKM-FQEVSTJZSA-N 1 1 376.504 3.666 50 0 GHAAMO O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000299784094 212037857 /nfs/dbraw/zinc/03/78/57/212037857.db2.gz LFVZLKVFVUVSKM-FQEVSTJZSA-N 1 1 376.504 3.666 50 0 GHAAMO O=C(CCc1ccco1)NCC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000299791067 212039586 /nfs/dbraw/zinc/03/95/86/212039586.db2.gz DDVRXRADCNZZEF-QHCPKHFHSA-N 1 1 390.483 3.964 50 0 GHAAMO CCC[NH+]1CCC(CC(=O)NC[C@@H](c2ccccc2F)N2CCCC2)CC1 ZINC000097288808 211362728 /nfs/dbraw/zinc/36/27/28/211362728.db2.gz HDMQHGKRZFRZLL-NRFANRHFSA-N 1 1 375.532 3.591 50 0 GHAAMO CC[NH+]1CCN(C(=O)C[C@H](c2c[nH]c3ccccc32)c2ccccc2OC)CC1 ZINC000096276714 211329456 /nfs/dbraw/zinc/32/94/56/211329456.db2.gz VANUZXASJWQVMN-FQEVSTJZSA-N 1 1 391.515 3.863 50 0 GHAAMO CN(Cc1cncn1C)C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000095524901 211271065 /nfs/dbraw/zinc/27/10/65/211271065.db2.gz AOMSUXCDESICKJ-SFHVURJKSA-N 1 1 394.485 3.825 50 0 GHAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3nnc(C)o3)C2)cc1Cl ZINC000095524348 211270241 /nfs/dbraw/zinc/27/02/41/211270241.db2.gz OIPKRTVSRRAASB-AWEZNQCLSA-N 1 1 392.887 3.671 50 0 GHAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3nnc(C)o3)C2)cc1Cl ZINC000095524348 211270243 /nfs/dbraw/zinc/27/02/43/211270243.db2.gz OIPKRTVSRRAASB-AWEZNQCLSA-N 1 1 392.887 3.671 50 0 GHAAMO C/C(=C\c1ccccc1)C[NH+]1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 ZINC000095522526 211270065 /nfs/dbraw/zinc/27/00/65/211270065.db2.gz MJUVTOKOQFWAHD-OBGWFSINSA-N 1 1 390.531 3.599 50 0 GHAAMO CCc1cc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)on1 ZINC000095510482 211260523 /nfs/dbraw/zinc/26/05/23/211260523.db2.gz JJUMUIJARPCDBI-OAHLLOKOSA-N 1 1 391.462 3.824 50 0 GHAAMO FC(F)[C@H](CCc1ccccc1)[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000095467432 211245624 /nfs/dbraw/zinc/24/56/24/211245624.db2.gz AJWRVBOUCYTQQD-ROUUACIJSA-N 1 1 380.504 3.978 50 0 GHAAMO Cc1cc(C(=O)N2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)c(C)o1 ZINC000095377903 211232521 /nfs/dbraw/zinc/23/25/21/211232521.db2.gz DQEMXCRUOXWFMM-IOMROCGXSA-N 1 1 386.442 3.877 50 0 GHAAMO CCn1ccc2ccc(C[N@H+]3C[C@H]4CC[C@@H]3CN(Cc3[nH]cnc3C)C4)cc21 ZINC000095380599 211232015 /nfs/dbraw/zinc/23/20/15/211232015.db2.gz RBPMMZVAOXZBHF-PZJWPPBQSA-N 1 1 377.536 3.789 50 0 GHAAMO Cc1ccc(C2(C(=O)N3C[C@H]4CC[C@@H]3C[N@@H+](Cc3cccnc3)C4)CC2)cc1 ZINC000095362434 211226365 /nfs/dbraw/zinc/22/63/65/211226365.db2.gz FMILXFBQPUJQIR-RBBKRZOGSA-N 1 1 375.516 3.545 50 0 GHAAMO Fc1ccc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)c(F)c1 ZINC000095362652 211226029 /nfs/dbraw/zinc/22/60/29/211226029.db2.gz QXADLQFFVPWBHE-CDNPAEQRSA-N 1 1 398.453 3.756 50 0 GHAAMO Fc1ccc(C[N@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)c(F)c1 ZINC000095362652 211226032 /nfs/dbraw/zinc/22/60/32/211226032.db2.gz QXADLQFFVPWBHE-CDNPAEQRSA-N 1 1 398.453 3.756 50 0 GHAAMO C[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CCc3cccnc3)CC2)C1 ZINC000095363384 211225643 /nfs/dbraw/zinc/22/56/43/211225643.db2.gz DRGLDPIOKRGQBA-QFIPXVFZSA-N 1 1 377.532 3.742 50 0 GHAAMO Cc1cc(C)c(C[N@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cc1C ZINC000091625889 211199647 /nfs/dbraw/zinc/19/96/47/211199647.db2.gz HKEVQCBNVCFTQS-UHFFFAOYSA-N 1 1 380.536 3.631 50 0 GHAAMO C[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)Cc3cccc(O)c3)CC2)C1 ZINC000091575456 211197422 /nfs/dbraw/zinc/19/74/22/211197422.db2.gz DXVYWMNVCMFQGO-OAQYLSRUSA-N 1 1 378.516 3.663 50 0 GHAAMO COCc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000089375077 211179701 /nfs/dbraw/zinc/17/97/01/211179701.db2.gz NVQGKKMMXKJDQH-UGSOOPFHSA-N 1 1 380.847 3.641 50 0 GHAAMO COCc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000089375077 211179704 /nfs/dbraw/zinc/17/97/04/211179704.db2.gz NVQGKKMMXKJDQH-UGSOOPFHSA-N 1 1 380.847 3.641 50 0 GHAAMO O=C(c1cc(-c2ccsc2)n[nH]1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000077488090 211136607 /nfs/dbraw/zinc/13/66/07/211136607.db2.gz RFCVYECHJMPAJT-UHFFFAOYSA-N 1 1 384.480 3.625 50 0 GHAAMO O=C(c1cc(-c2ccsc2)n[nH]1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000077488090 211136611 /nfs/dbraw/zinc/13/66/11/211136611.db2.gz RFCVYECHJMPAJT-UHFFFAOYSA-N 1 1 384.480 3.625 50 0 GHAAMO COc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2F)C3)c1 ZINC000076961907 211126635 /nfs/dbraw/zinc/12/66/35/211126635.db2.gz LEDVOUHVMFLQJU-HSZRJFAPSA-N 1 1 382.479 3.963 50 0 GHAAMO COc1ccc(-n2cc(CN3CC[N@@H+](C)[C@H](C)C3)c(-c3cccc(F)c3)n2)cc1 ZINC000072478099 211125133 /nfs/dbraw/zinc/12/51/33/211125133.db2.gz WTDJZNXVYWNJNR-QGZVFWFLSA-N 1 1 394.494 3.823 50 0 GHAAMO COc1ccc(-c2nc3c(C)cccc3cc2C[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000072462831 211122447 /nfs/dbraw/zinc/12/24/47/211122447.db2.gz GKABDJOACXHYCS-HXUWFJFHSA-N 1 1 375.472 3.669 50 0 GHAAMO CC(C)Oc1cccc2c1c(NC(=O)[C@@H]1CCC[N@@H+]1C)nn2Cc1ccccc1 ZINC000072436678 211120074 /nfs/dbraw/zinc/12/00/74/211120074.db2.gz XQZDPVBVRILOLY-IBGZPJMESA-N 1 1 392.503 3.905 50 0 GHAAMO CC(C)Oc1cccc2c1c(NC(=O)[C@@H]1CCC[N@H+]1C)nn2Cc1ccccc1 ZINC000072436678 211120078 /nfs/dbraw/zinc/12/00/78/211120078.db2.gz XQZDPVBVRILOLY-IBGZPJMESA-N 1 1 392.503 3.905 50 0 GHAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000072433267 211118239 /nfs/dbraw/zinc/11/82/39/211118239.db2.gz LSPPZPGLJFJTNK-LJQANCHMSA-N 1 1 389.499 3.916 50 0 GHAAMO CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000072308077 211086615 /nfs/dbraw/zinc/08/66/15/211086615.db2.gz ZLOFYIJDCVMYED-UHFFFAOYSA-N 1 1 381.520 3.752 50 0 GHAAMO Cc1ncsc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071761130 211058189 /nfs/dbraw/zinc/05/81/89/211058189.db2.gz PSDGBOLTKKREMP-GOSISDBHSA-N 1 1 375.513 3.963 50 0 GHAAMO C[C@@](O)(C[NH+]1CCN(CCc2cccs2)CC1)c1cccc(C(F)(F)F)c1 ZINC000069930302 211040771 /nfs/dbraw/zinc/04/07/71/211040771.db2.gz AZZJZOFZQUTBBZ-LJQANCHMSA-N 1 1 398.494 3.835 50 0 GHAAMO CCc1ccc(S(=O)(=O)N2CCC(Cn3cc[nH+]c3C(C)C)CC2)s1 ZINC000090560534 211035083 /nfs/dbraw/zinc/03/50/83/211035083.db2.gz OZLYIQBQGYZXGR-UHFFFAOYSA-N 1 1 381.567 3.731 50 0 GHAAMO Cc1oc(-c2ccccc2C)nc1CN1CC[NH+](CCc2ccncc2)CC1 ZINC000067743503 211019920 /nfs/dbraw/zinc/01/99/20/211019920.db2.gz AHCRRBOLHGFPOJ-UHFFFAOYSA-N 1 1 376.504 3.714 50 0 GHAAMO CC1(C)C[C@H](C[N@H+]2CCCn3nc(-c4nc5ccccc5[nH]4)cc3C2)CCO1 ZINC000067725330 211019846 /nfs/dbraw/zinc/01/98/46/211019846.db2.gz KOYGXNSUGSJABA-MRXNPFEDSA-N 1 1 379.508 3.837 50 0 GHAAMO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)C1 ZINC000067714587 211016970 /nfs/dbraw/zinc/01/69/70/211016970.db2.gz OPYJMTNYAIJHRU-MRXNPFEDSA-N 1 1 381.398 3.721 50 0 GHAAMO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)C1 ZINC000067714587 211016975 /nfs/dbraw/zinc/01/69/75/211016975.db2.gz OPYJMTNYAIJHRU-MRXNPFEDSA-N 1 1 381.398 3.721 50 0 GHAAMO C[NH+](C)[C@H](CNC(=O)Nc1cccc(-c2nc(C3CC3)no2)c1)c1ccco1 ZINC000058307126 210917399 /nfs/dbraw/zinc/91/73/99/210917399.db2.gz RXNJUTPVICLKIW-MRXNPFEDSA-N 1 1 381.436 3.631 50 0 GHAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(C)cc3o2)[NH+]2CCCC2)o1 ZINC000021659786 210387323 /nfs/dbraw/zinc/38/73/23/210387323.db2.gz CVAZFQDJYJDTJT-QGZVFWFLSA-N 1 1 380.444 3.570 50 0 GHAAMO COc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)c(OC)c1 ZINC000020889911 210367162 /nfs/dbraw/zinc/36/71/62/210367162.db2.gz OBNPSJLOXYPYTG-SFHVURJKSA-N 1 1 383.492 3.656 50 0 GHAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000020322277 210326923 /nfs/dbraw/zinc/32/69/23/210326923.db2.gz ALCMGIDWIGHRIN-QFIPXVFZSA-N 1 1 379.548 3.524 50 0 GHAAMO COCC[NH+]1CCN(C(=O)C[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020204671 210320411 /nfs/dbraw/zinc/32/04/11/210320411.db2.gz MMWZHKIMFFNQGD-NRFANRHFSA-N 1 1 386.923 3.653 50 0 GHAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)CCc2cn[nH]c2)c1 ZINC000020205848 210320504 /nfs/dbraw/zinc/32/05/04/210320504.db2.gz HAENZBNUOAHNMV-UHFFFAOYSA-N 1 1 387.487 3.946 50 0 GHAAMO CN(Cc1cccn1-c1ccccn1)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000019811213 210299962 /nfs/dbraw/zinc/29/99/62/210299962.db2.gz FWEZEOKMPDJLPU-JOCHJYFZSA-N 1 1 386.543 3.936 50 0 GHAAMO O=C(c1cc(F)ccc1F)[C@@H]1CCC[N@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000019758836 210293878 /nfs/dbraw/zinc/29/38/78/210293878.db2.gz NCCHJIFOUINBBT-MRXNPFEDSA-N 1 1 399.441 3.589 50 0 GHAAMO O=C(c1cc(F)ccc1F)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000019758836 210293884 /nfs/dbraw/zinc/29/38/84/210293884.db2.gz NCCHJIFOUINBBT-MRXNPFEDSA-N 1 1 399.441 3.589 50 0 GHAAMO C/C(=C\c1ccco1)C[NH+]1CCN(c2cc(C)nc(-c3cccnc3)n2)CC1 ZINC000065432978 533412785 /nfs/dbraw/zinc/41/27/85/533412785.db2.gz VAOWLDHWZRQTBG-GHRIWEEISA-N 1 1 375.476 3.666 50 0 GHAAMO Clc1cccc(N2CCN([C@@H]3CCC[N@@H+](CCc4ccccn4)C3)CC2)c1 ZINC000072170228 136167393 /nfs/dbraw/zinc/16/73/93/136167393.db2.gz RNIOXMGSBXGLAN-JOCHJYFZSA-N 1 1 384.955 3.564 50 0 GHAAMO Clc1cccc(N2CC[NH+]([C@@H]3CCCN(CCc4ccccn4)C3)CC2)c1 ZINC000072170228 136167394 /nfs/dbraw/zinc/16/73/94/136167394.db2.gz RNIOXMGSBXGLAN-JOCHJYFZSA-N 1 1 384.955 3.564 50 0 GHAAMO CCCc1cc(N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)nc(C)n1 ZINC000095520467 136181098 /nfs/dbraw/zinc/18/10/98/136181098.db2.gz IFKYCFWCAPYZJU-UHFFFAOYSA-N 1 1 376.508 3.761 50 0 GHAAMO Cn1cc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c(-c2ccccc2F)n1 ZINC000096431889 136187010 /nfs/dbraw/zinc/18/70/10/136187010.db2.gz CRORHMNMBFYGEX-UHFFFAOYSA-N 1 1 385.874 3.597 50 0 GHAAMO Clc1cccc(N2CCN([C@H]3CCC[N@H+](C4CCSCC4)C3)CC2)c1 ZINC000020777028 136202756 /nfs/dbraw/zinc/20/27/56/136202756.db2.gz WIANNOGDISDQRX-FQEVSTJZSA-N 1 1 380.001 3.822 50 0 GHAAMO CC[N@H+](Cc1ccccc1)Cc1ccc(C(=O)N[C@H](C)c2cccs2)c(=O)[nH]1 ZINC000067588232 222150370 /nfs/dbraw/zinc/15/03/70/222150370.db2.gz AMXJCGBSZCFSHJ-MRXNPFEDSA-N 1 1 395.528 3.950 50 0 GHAAMO CC(C)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CC=C(c4ccccc4)CC3)C2)CC1 ZINC000019219647 519670289 /nfs/dbraw/zinc/67/02/89/519670289.db2.gz VSZKIEMCMYXRHK-HSZRJFAPSA-N 1 1 395.591 3.887 50 0 GHAAMO CC(C)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CC=C(c4ccccc4)CC3)C2)CC1 ZINC000019219647 519670290 /nfs/dbraw/zinc/67/02/90/519670290.db2.gz VSZKIEMCMYXRHK-HSZRJFAPSA-N 1 1 395.591 3.887 50 0 GHAAMO O=C(C[N@H+]1CC[C@H]2CCCC[C@H]2C1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000247762801 570240104 /nfs/dbraw/zinc/24/01/04/570240104.db2.gz IOJAONLESJWQFQ-MSOLQXFVSA-N 1 1 383.536 3.810 50 0 GHAAMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)CCCc2ccccc2)C[C@H](C)O1 ZINC000048358226 570243253 /nfs/dbraw/zinc/24/32/53/570243253.db2.gz LSLWCZOSXVAVIC-PMACEKPBSA-N 1 1 380.532 3.935 50 0 GHAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccccc1Cl ZINC000012284502 570281774 /nfs/dbraw/zinc/28/17/74/570281774.db2.gz XTMXYLYLPIFSMT-IRXDYDNUSA-N 1 1 399.922 3.868 50 0 GHAAMO COc1cc(OC)c(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cc1Cl ZINC000215357351 570287710 /nfs/dbraw/zinc/28/77/10/570287710.db2.gz WYERVJJJHJENDG-UHFFFAOYSA-N 1 1 379.859 3.980 50 0 GHAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cncc(-c3cc(OC)ccc3OC)c2)C1 ZINC000034670400 570293465 /nfs/dbraw/zinc/29/34/65/570293465.db2.gz BGHQZBBQCLWUKC-KRWDZBQOSA-N 1 1 384.476 3.541 50 0 GHAAMO Cc1ccccc1NC(=O)CN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000022932746 570337631 /nfs/dbraw/zinc/33/76/31/570337631.db2.gz KNEKTULJRBRYDW-UHFFFAOYSA-N 1 1 379.529 3.966 50 0 GHAAMO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004860316 570349821 /nfs/dbraw/zinc/34/98/21/570349821.db2.gz WAUKQBSIVYNPOP-HZSPNIEDSA-N 1 1 389.471 3.789 50 0 GHAAMO C[C@@H]1C[N@H+](CCCNC(=O)c2cc3c(s2)-c2ccccc2CC3)C[C@H](C)O1 ZINC000023509020 570364374 /nfs/dbraw/zinc/36/43/74/570364374.db2.gz VUTXEHARMAKYLU-IYBDPMFKSA-N 1 1 384.545 3.743 50 0 GHAAMO O=C(Nc1ccc(F)cc1F)N1CCC[N@@H+](CCOc2ccccc2)CC1 ZINC000004324450 570367876 /nfs/dbraw/zinc/36/78/76/570367876.db2.gz ACSTVDXWCKMAGR-UHFFFAOYSA-N 1 1 375.419 3.583 50 0 GHAAMO CCn1c2ccccc2c2sc(C(=O)NCC[N@H+]3CCCC[C@H]3C)cc2c1=O ZINC000004939244 570375377 /nfs/dbraw/zinc/37/53/77/570375377.db2.gz KXYKVZWBVDFGER-OAHLLOKOSA-N 1 1 397.544 3.840 50 0 GHAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1)NCCCc1ccccc1 ZINC000024662952 570389140 /nfs/dbraw/zinc/38/91/40/570389140.db2.gz NMUYNZREEQYTTJ-IBGZPJMESA-N 1 1 377.488 3.756 50 0 GHAAMO Cc1cn([C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(C)[nH+]1 ZINC000024777373 570393383 /nfs/dbraw/zinc/39/33/83/570393383.db2.gz VKZMYLHJQAZKSV-CYBMUJFWSA-N 1 1 396.413 3.555 50 0 GHAAMO C[C@H](CNC(=O)c1ccc(Br)s1)[N@@H+]1CCc2ccccc2C1 ZINC000025939658 570420877 /nfs/dbraw/zinc/42/08/77/570420877.db2.gz KJZZTTMROHZAQO-GFCCVEGCSA-N 1 1 379.323 3.687 50 0 GHAAMO C[C@H](CNC(=O)c1ccc(Br)s1)[N@H+]1CCc2ccccc2C1 ZINC000025939658 570420880 /nfs/dbraw/zinc/42/08/80/570420880.db2.gz KJZZTTMROHZAQO-GFCCVEGCSA-N 1 1 379.323 3.687 50 0 GHAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000240333258 570430655 /nfs/dbraw/zinc/43/06/55/570430655.db2.gz FCMQHASXPSSXFU-FSPWUOQZSA-N 1 1 388.899 3.926 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COc1ccccc1C[N@H+]1CCOc2ccc([C@H](O)c3ccncc3)cc2C1 ZINC000299771153 212035922 /nfs/dbraw/zinc/03/59/22/212035922.db2.gz TXXQGOGHTBAXSL-HSZRJFAPSA-N 1 1 376.456 3.567 50 0 GHAAMO c1ccc(C[N@@H+](Cc2cccc(Oc3ncccn3)c2)C[C@@H]2CCCO2)nc1 ZINC000097360255 211366080 /nfs/dbraw/zinc/36/60/80/211366080.db2.gz PMGWZRJIJJXECK-NRFANRHFSA-N 1 1 376.460 3.845 50 0 GHAAMO c1ccc(C[N@H+](Cc2cccc(Oc3ncccn3)c2)C[C@@H]2CCCO2)nc1 ZINC000097360255 211366084 /nfs/dbraw/zinc/36/60/84/211366084.db2.gz PMGWZRJIJJXECK-NRFANRHFSA-N 1 1 376.460 3.845 50 0 GHAAMO CCC[NH+]1CCC(CC(=O)NC[C@H](c2ccccc2F)N2CCCC2)CC1 ZINC000097288809 211363252 /nfs/dbraw/zinc/36/32/52/211363252.db2.gz HDMQHGKRZFRZLL-OAQYLSRUSA-N 1 1 375.532 3.591 50 0 GHAAMO C[NH+]1CCN(C2(CNC(=O)Nc3cccc(-c4ccco4)c3)CCCC2)CC1 ZINC000096148788 211309747 /nfs/dbraw/zinc/30/97/47/211309747.db2.gz NGJOBGZOLFVFKS-UHFFFAOYSA-N 1 1 382.508 3.628 50 0 GHAAMO Cc1ncsc1C[N@H+]1CCC[C@H](CCC(=O)NCc2ccccc2F)C1 ZINC000095516828 211265443 /nfs/dbraw/zinc/26/54/43/211265443.db2.gz ZARUMNFXDGHJJN-MRXNPFEDSA-N 1 1 375.513 3.899 50 0 GHAAMO OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1csc(-c2cccs2)n1 ZINC000095400272 211238714 /nfs/dbraw/zinc/23/87/14/211238714.db2.gz MGXJUVSGLNHZRG-HKUYNNGSSA-N 1 1 399.585 3.844 50 0 GHAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@@H](Cc2cccc(C(N)=O)c2)C1 ZINC000095388976 211236713 /nfs/dbraw/zinc/23/67/13/211236713.db2.gz VWCKILCNIBTAEB-INIZCTEOSA-N 1 1 381.501 3.875 50 0 GHAAMO CC(C)c1noc(CCC(=O)Nc2cccc(CC[N@H+]3C[C@H](C)[C@H](C)C3)c2)n1 ZINC000095464930 211246227 /nfs/dbraw/zinc/24/62/27/211246227.db2.gz YOISUIIRKQIUAM-CALCHBBNSA-N 1 1 384.524 3.895 50 0 GHAAMO C[C@@H](CC(=O)OCC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC(=O)C1CCCC1 ZINC000095467971 211245729 /nfs/dbraw/zinc/24/57/29/211245729.db2.gz YODSAMQVNOGPEJ-AZUAARDMSA-N 1 1 386.536 3.527 50 0 GHAAMO O=C(CCn1cnc2ccccc21)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000095357843 211224018 /nfs/dbraw/zinc/22/40/18/211224018.db2.gz WCLFEFYIDMRQPR-LEWJYISDSA-N 1 1 388.515 3.549 50 0 GHAAMO COc1ccc(CN(C)C(=O)[C@H](c2cccc(C)c2)[NH+](C)C)c2cccnc12 ZINC000095360871 211222793 /nfs/dbraw/zinc/22/27/93/211222793.db2.gz ITCUUQWKDAHFRP-QFIPXVFZSA-N 1 1 377.488 3.813 50 0 GHAAMO O=C(NCCCc1nc2ccc(F)cc2[nH]1)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095385325 211235309 /nfs/dbraw/zinc/23/53/09/211235309.db2.gz DMLCOPBLDMLEPF-KRWDZBQOSA-N 1 1 380.467 3.532 50 0 GHAAMO Cn1c(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccn2)C3)cc2cc(F)ccc21 ZINC000095383530 211234620 /nfs/dbraw/zinc/23/46/20/211234620.db2.gz FFQKBJZXSXCDRA-LAUBAEHRSA-N 1 1 378.495 3.809 50 0 GHAAMO O=C(COc1ccc2ccccc2c1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000095349627 211219493 /nfs/dbraw/zinc/21/94/93/211219493.db2.gz QCCSIICVWFQTFZ-NRFANRHFSA-N 1 1 388.511 3.899 50 0 GHAAMO FC(F)Oc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 ZINC000091636436 211199814 /nfs/dbraw/zinc/19/98/14/211199814.db2.gz QSXNNNCXPPAULD-WMLDXEAASA-N 1 1 379.476 3.841 50 0 GHAAMO FC(F)Oc1ccccc1C[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 ZINC000091636436 211199820 /nfs/dbraw/zinc/19/98/20/211199820.db2.gz QSXNNNCXPPAULD-WMLDXEAASA-N 1 1 379.476 3.841 50 0 GHAAMO Cc1ccc2cc(C[NH+]3CCN(CCCO)CC3)c(-c3cccs3)nc2c1 ZINC000072420401 211115768 /nfs/dbraw/zinc/11/57/68/211115768.db2.gz DPOMZMMCAJLZND-UHFFFAOYSA-N 1 1 381.545 3.772 50 0 GHAAMO COc1ccc(-n2cc(C[N@H+]3CCC[C@H](CO)C3)c(-c3cccc(F)c3)n2)cc1 ZINC000072481664 211123931 /nfs/dbraw/zinc/12/39/31/211123931.db2.gz CLZDZEVYRZQPMH-KRWDZBQOSA-N 1 1 395.478 3.891 50 0 GHAAMO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+]2CCCOCC2)cc1 ZINC000072459145 211122291 /nfs/dbraw/zinc/12/22/91/211122291.db2.gz WJVZUBCHNCISSB-UHFFFAOYSA-N 1 1 381.451 3.909 50 0 GHAAMO Cc1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)s1 ZINC000071746080 211053346 /nfs/dbraw/zinc/05/33/46/211053346.db2.gz KOGCOVDTTMWEHR-GOSISDBHSA-N 1 1 375.513 3.963 50 0 GHAAMO CNc1ncccc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071551783 211048982 /nfs/dbraw/zinc/04/89/82/211048982.db2.gz KNKFFLRUDVLJMW-HXUWFJFHSA-N 1 1 384.499 3.635 50 0 GHAAMO O=C(c1cnccn1)N1CCC([N@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)CC1 ZINC000071552177 211048517 /nfs/dbraw/zinc/04/85/17/211048517.db2.gz ARLFKOFYDMPVMP-LJQANCHMSA-N 1 1 396.510 3.565 50 0 GHAAMO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000069897087 211040620 /nfs/dbraw/zinc/04/06/20/211040620.db2.gz VCKKKTRHMMVENC-MJGOQNOKSA-N 1 1 377.488 3.630 50 0 GHAAMO Cc1oc(-c2cccc(Cl)c2)nc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000067871324 211027298 /nfs/dbraw/zinc/02/72/98/211027298.db2.gz OJINTFKKUWDFLP-SFHVURJKSA-N 1 1 375.900 3.600 50 0 GHAAMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067649726 211015292 /nfs/dbraw/zinc/01/52/92/211015292.db2.gz OBFRMHWNOZZLHW-MRXNPFEDSA-N 1 1 386.499 3.769 50 0 GHAAMO C[C@H](C(=O)NC1CC1)[N@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067649726 211015297 /nfs/dbraw/zinc/01/52/97/211015297.db2.gz OBFRMHWNOZZLHW-MRXNPFEDSA-N 1 1 386.499 3.769 50 0 GHAAMO CC[C@@H](CO)[N@H+](Cc1ccsc1)Cc1cnc(NCc2ccccc2)nc1 ZINC000063871759 210936782 /nfs/dbraw/zinc/93/67/82/210936782.db2.gz BUGMBPQONZLVNL-FQEVSTJZSA-N 1 1 382.533 3.923 50 0 GHAAMO CC[C@@H](CO)[N@@H+](Cc1ccsc1)Cc1cnc(NCc2ccccc2)nc1 ZINC000063871759 210936786 /nfs/dbraw/zinc/93/67/86/210936786.db2.gz BUGMBPQONZLVNL-FQEVSTJZSA-N 1 1 382.533 3.923 50 0 GHAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(SC(F)F)cc1 ZINC000021822157 210394948 /nfs/dbraw/zinc/39/49/48/210394948.db2.gz POJCLBOPPGHPCA-UHFFFAOYSA-N 1 1 391.487 3.758 50 0 GHAAMO O=C(c1cc(C2CC2)n[nH]1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021017222 210374356 /nfs/dbraw/zinc/37/43/56/210374356.db2.gz VWIIMVXHOMQLQX-UHFFFAOYSA-N 1 1 386.499 3.835 50 0 GHAAMO Cc1ccc(CNC(=O)NCc2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1 ZINC000020927418 210370983 /nfs/dbraw/zinc/37/09/83/210370983.db2.gz WVNRGRKEITUYTI-UHFFFAOYSA-N 1 1 394.544 3.835 50 0 GHAAMO CCn1c2ccccc2nc1CN1CC[N@@H+](CC2CCCCC2)[C@@H](CCO)C1 ZINC000020535160 210344803 /nfs/dbraw/zinc/34/48/03/210344803.db2.gz DREVUJNJYQJPPE-FQEVSTJZSA-N 1 1 384.568 3.505 50 0 GHAAMO OCCNCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000020477654 210339213 /nfs/dbraw/zinc/33/92/13/210339213.db2.gz VGCJQRALDCZCDI-UHFFFAOYSA-N 1 1 392.330 3.668 50 0 GHAAMO O=C(NC1CCCC1)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000020451860 210336129 /nfs/dbraw/zinc/33/61/29/210336129.db2.gz DFYVQPCISSUGOO-UHFFFAOYSA-N 1 1 397.607 3.854 50 0 GHAAMO FC(F)(F)c1ccc(-c2n[nH]c3c2C[N@@H+](CCCn2cccn2)CC3)cc1 ZINC000020209392 210320443 /nfs/dbraw/zinc/32/04/43/210320443.db2.gz VDZLXEZGTNEDRS-UHFFFAOYSA-N 1 1 375.398 3.740 50 0 GHAAMO CCOC(=O)N1CCC([N@H+]2CCc3[nH]nc(C=Cc4ccccc4)c3C2)CC1 ZINC000020138538 210318110 /nfs/dbraw/zinc/31/81/10/210318110.db2.gz BJPIVLCZBVWWOI-CMDGGOBGSA-N 1 1 380.492 3.559 50 0 GHAAMO CC(C)(C)C1CCC(OC[C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000019809584 210298352 /nfs/dbraw/zinc/29/83/52/210298352.db2.gz ZKBQEPHNQKPRQH-GPJFCIFZSA-N 1 1 392.559 3.930 50 0 GHAAMO CCOc1ccc(CN2CCC([NH+]3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000019885468 210305477 /nfs/dbraw/zinc/30/54/77/210305477.db2.gz MHEAHOFCMRUVKX-UHFFFAOYSA-N 1 1 393.575 3.868 50 0 GHAAMO COc1cccc(C[NH+]2CCN(Cc3ccccc3Br)CC2)c1 ZINC000019781664 210295411 /nfs/dbraw/zinc/29/54/11/210295411.db2.gz NKYVFFHKPZUUHM-UHFFFAOYSA-N 1 1 375.310 3.776 50 0 GHAAMO CCOc1cc(CN2CC[N@@H+](CC3CCCCC3)[C@@H](CCO)C2)ccc1OC ZINC000019731844 210292137 /nfs/dbraw/zinc/29/21/37/210292137.db2.gz KIFINVMXDBRZLJ-NRFANRHFSA-N 1 1 390.568 3.543 50 0 GHAAMO COc1ccc(-c2ccccc2NC(=O)N2CC[NH+](CCSC)CC2)cc1 ZINC000096140639 533183262 /nfs/dbraw/zinc/18/32/62/533183262.db2.gz DIGYXYCMPGIVMC-UHFFFAOYSA-N 1 1 385.533 3.875 50 0 GHAAMO CC(=O)Nc1cccc(C(=O)N(C)[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)c1 ZINC000011933398 221138116 /nfs/dbraw/zinc/13/81/16/221138116.db2.gz PIBZZBNIYMATID-HSZRJFAPSA-N 1 1 393.531 3.814 50 0 GHAAMO CC[C@@H]1CCCC[N@H+]1Cc1cc2ccc(Cl)cc2n(CC(=O)OC)c1=O ZINC000012185664 221163776 /nfs/dbraw/zinc/16/37/76/221163776.db2.gz GEKYOMKVSRIBNT-QGZVFWFLSA-N 1 1 376.884 3.592 50 0 GHAAMO CCc1nc(C)c(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)o1 ZINC000012709200 221219494 /nfs/dbraw/zinc/21/94/94/221219494.db2.gz CRMWOBTVDFGYSZ-JOCHJYFZSA-N 1 1 385.483 3.813 50 0 GHAAMO COc1cc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)ccc1OCc1ccccc1 ZINC000012784684 221231352 /nfs/dbraw/zinc/23/13/52/221231352.db2.gz WYMRPFDYVXPFGH-IBGZPJMESA-N 1 1 394.471 3.900 50 0 GHAAMO Cc1cccc(N2CC[NH+](CCNC(=O)Nc3ccc(Cl)cc3)CC2)c1C ZINC000058021419 136154231 /nfs/dbraw/zinc/15/42/31/136154231.db2.gz QBRFGTCFMIFWHY-UHFFFAOYSA-N 1 1 386.927 3.901 50 0 GHAAMO COc1cccc(NC(=O)CCC2CCN(c3[nH+]cnc4[nH]ccc43)CC2)c1 ZINC000095501571 136179911 /nfs/dbraw/zinc/17/99/11/136179911.db2.gz LKBYCHXSVKNLAS-UHFFFAOYSA-N 1 1 379.464 3.602 50 0 GHAAMO CC[N@@H+](Cc1cc2ccccc2nc1N1CCOCC1)[C@@H]1CCOC(C)(C)C1 ZINC000215716311 136203028 /nfs/dbraw/zinc/20/30/28/136203028.db2.gz YBBWNIZUQWHJHM-HXUWFJFHSA-N 1 1 383.536 3.851 50 0 GHAAMO CC(C)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CC=C(c4ccccc4)CC3)C2)CC1 ZINC000019219652 519670512 /nfs/dbraw/zinc/67/05/12/519670512.db2.gz VSZKIEMCMYXRHK-QHCPKHFHSA-N 1 1 395.591 3.887 50 0 GHAAMO CC(C)N1CCC([N@H+]2CCC[C@H](C(=O)N3CC=C(c4ccccc4)CC3)C2)CC1 ZINC000019219652 519670516 /nfs/dbraw/zinc/67/05/16/519670516.db2.gz VSZKIEMCMYXRHK-QHCPKHFHSA-N 1 1 395.591 3.887 50 0 GHAAMO CCCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)C1=C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000004256739 560197881 /nfs/dbraw/zinc/19/78/81/560197881.db2.gz LZYMPGNBBKVSQZ-SJORKVTESA-N 1 1 388.508 3.705 50 0 GHAAMO CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000048309508 570232639 /nfs/dbraw/zinc/23/26/39/570232639.db2.gz YKOGWZCQFLUSFK-UHFFFAOYSA-N 1 1 387.332 3.924 50 0 GHAAMO CCc1ccc(C[N@@H+](C)Cc2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)nc1 ZINC000011663758 570271197 /nfs/dbraw/zinc/27/11/97/570271197.db2.gz FNRQWIDQJBDBPX-UHFFFAOYSA-N 1 1 396.491 3.692 50 0 GHAAMO COCCNC(=O)[C@H]1C[C@H](c2cccc(C)c2)C[N@@H+](Cc2cccc(F)c2)C1 ZINC000034711259 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O=C(NC[C@H]1CCC[N@@H+](Cc2ccncc2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000012447898 862397473 /nfs/dbraw/zinc/39/74/73/862397473.db2.gz VXPZLZMRXYKRPU-GOSISDBHSA-N 1 1 383.923 3.795 50 0 GHAAMO COc1cc(C)c(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1OC ZINC000008157378 856019360 /nfs/dbraw/zinc/01/93/60/856019360.db2.gz SUHAAHLAVXXBOK-INIZCTEOSA-N 1 1 385.508 3.537 50 0 GHAAMO COc1cc(C)c(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1OC ZINC000008157378 856019370 /nfs/dbraw/zinc/01/93/70/856019370.db2.gz SUHAAHLAVXXBOK-INIZCTEOSA-N 1 1 385.508 3.537 50 0 GHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1nccnc1-c1nc2ccccc2s1 ZINC000008777408 856360543 /nfs/dbraw/zinc/36/05/43/856360543.db2.gz PLMXEMSNJAKVNK-HNNXBMFYSA-N 1 1 395.532 3.748 50 0 GHAAMO Cc1nn(C)c(Cl)c1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000040040701 856639018 /nfs/dbraw/zinc/63/90/18/856639018.db2.gz CEUKWZLHOIDCHO-OAHLLOKOSA-N 1 1 381.307 3.602 50 0 GHAAMO CC(C)c1cc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3)CC2)[nH]n1 ZINC000011661001 856853035 /nfs/dbraw/zinc/85/30/35/856853035.db2.gz OZOLSVJJPXUASZ-UHFFFAOYSA-N 1 1 392.507 3.819 50 0 GHAAMO CC[C@H](C)C[NH+]1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000011661299 856876900 /nfs/dbraw/zinc/87/69/00/856876900.db2.gz QCQRJHRHRSFASV-FQEVSTJZSA-N 1 1 385.596 3.568 50 0 GHAAMO Cc1ccnn1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000011753397 857209581 /nfs/dbraw/zinc/20/95/81/857209581.db2.gz WXOOBERXDNFIQB-QHCPKHFHSA-N 1 1 386.584 3.867 50 0 GHAAMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)NCCc1ccccc1 ZINC000009512940 857218942 /nfs/dbraw/zinc/21/89/42/857218942.db2.gz QDRMXLCZTAEQCQ-UHFFFAOYSA-N 1 1 379.529 3.835 50 0 GHAAMO COc1ccccc1[C@H](CNC(=O)c1cc(Br)ccc1F)[NH+](C)C ZINC000042670282 857420043 /nfs/dbraw/zinc/42/00/43/857420043.db2.gz JQJZDYBANSWXPF-INIZCTEOSA-N 1 1 395.272 3.630 50 0 GHAAMO CC(=O)c1ccccc1C(=O)N(C)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011844242 857581069 /nfs/dbraw/zinc/58/10/69/857581069.db2.gz YDVREVDPRWKUGA-FQEVSTJZSA-N 1 1 376.500 3.593 50 0 GHAAMO COC(=O)c1[nH]c(C[NH2+][C@@H](C)c2ccc3ccccc3c2)c(C(=O)OC)c1C ZINC000007984654 862963465 /nfs/dbraw/zinc/96/34/65/862963465.db2.gz QUEGKFCIMMXKGL-AWEZNQCLSA-N 1 1 380.444 3.900 50 0 GHAAMO CC1(C)C[C@H](C(=O)N2CCC[C@@H]3C[N@@H+](Cc4ccsc4)CC[C@H]32)CCO1 ZINC000011983377 858387549 /nfs/dbraw/zinc/38/75/49/858387549.db2.gz DKEZWJJDNNXCAE-GUDVDZBRSA-N 1 1 376.566 3.766 50 0 GHAAMO C[C@H]1CN(C(=O)c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)CC[N@@H+]1C ZINC000011760113 858925157 /nfs/dbraw/zinc/92/51/57/858925157.db2.gz NMTWSFXUZWBLLD-AWEZNQCLSA-N 1 1 383.879 3.848 50 0 GHAAMO C[C@H]1CN(C(=O)c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)CC[N@H+]1C ZINC000011760113 858925168 /nfs/dbraw/zinc/92/51/68/858925168.db2.gz NMTWSFXUZWBLLD-AWEZNQCLSA-N 1 1 383.879 3.848 50 0 GHAAMO COc1ccccc1C[N@H+]1CCC[C@@H]2CN(C(=O)Cc3ccccc3)CC[C@@H]21 ZINC000012156060 859201774 /nfs/dbraw/zinc/20/17/74/859201774.db2.gz KPCUIAGQGFNLDO-IRLDBZIGSA-N 1 1 378.516 3.751 50 0 GHAAMO O=C(C1CC1)N1CCC2(CC1)C[C@@H]([N@@H+](Cc1ccc(F)cc1)C1CC1)CCO2 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DSJHNWWHZZBXJY-QGZVFWFLSA-N 1 1 379.464 3.646 50 0 GHAAMO Cc1nc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)oc1C ZINC000096000072 860742690 /nfs/dbraw/zinc/74/26/90/860742690.db2.gz DSJHNWWHZZBXJY-QGZVFWFLSA-N 1 1 379.464 3.646 50 0 GHAAMO CCCOC(=O)NCCC[NH+]1CCN(c2ccccc2SCCC)CC1 ZINC000096026635 860758679 /nfs/dbraw/zinc/75/86/79/860758679.db2.gz IDFBHNKBZLBKOG-UHFFFAOYSA-N 1 1 379.570 3.837 50 0 GHAAMO Cc1c[nH+]c(C[C@H]2CCCN(S(=O)(=O)Cc3ccccc3F)C2)n1C(C)C ZINC000575317662 865992609 /nfs/dbraw/zinc/99/26/09/865992609.db2.gz VBEBTRKCUPHOTB-QGZVFWFLSA-N 1 1 393.528 3.696 50 0 GHAAMO CCS(=O)(=O)N1CCC([N@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)CC1 ZINC000581802574 870001999 /nfs/dbraw/zinc/00/19/99/870001999.db2.gz LTSXPFHFRBHYGK-FQEVSTJZSA-N 1 1 376.566 3.808 50 0 GHAAMO c1ccc(-c2nc(-c3ccncc3)no2)c(O[C@@H]2CC[N@H+](Cc3ccncc3)C2)c1 ZINC000581790158 870005148 /nfs/dbraw/zinc/00/51/48/870005148.db2.gz MBMQOUCVISQFJR-LJQANCHMSA-N 1 1 399.454 3.847 50 0 GHAAMO Cc1c[nH+]c(C[C@@H]2CCN(C(=O)Nc3ccc4c(c3)OCCO4)C2)n1C(C)C ZINC000581806239 870028780 /nfs/dbraw/zinc/02/87/80/870028780.db2.gz NNHXOTAOTQJWLL-INIZCTEOSA-N 1 1 384.480 3.640 50 0 GHAAMO O=C(CC1CCCC1)N1CCC(Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000581810184 870041452 /nfs/dbraw/zinc/04/14/52/870041452.db2.gz DUAACLZWOFIPGB-UHFFFAOYSA-N 1 1 384.564 3.880 50 0 GHAAMO C[NH+]1CCN(Cc2ccc(CC3CCN(C(=O)C4CCCCC4)CC3)cc2)CC1 ZINC000581810185 870041958 /nfs/dbraw/zinc/04/19/58/870041958.db2.gz DVHCXTNYZUSCOQ-UHFFFAOYSA-N 1 1 397.607 3.795 50 0 GHAAMO CN(C)c1nc(-c2ccccc2)c(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)s1 ZINC000093691693 912388541 /nfs/dbraw/zinc/38/85/41/912388541.db2.gz VULNTYNUUGYUET-GOSISDBHSA-N 1 1 380.517 3.924 50 0 GHAAMO Cc1ccc(-c2cccc(C[N@@H+](Cc3ccccn3)C[C@@H]3CCC(=O)N3)c2)o1 ZINC000670460443 893650897 /nfs/dbraw/zinc/65/08/97/893650897.db2.gz PPCKCPNOYHBVDD-NRFANRHFSA-N 1 1 375.472 3.931 50 0 GHAAMO Cc1ccc(-c2cccc(C[N@H+](Cc3ccccn3)C[C@@H]3CCC(=O)N3)c2)o1 ZINC000670460443 893650920 /nfs/dbraw/zinc/65/09/20/893650920.db2.gz PPCKCPNOYHBVDD-NRFANRHFSA-N 1 1 375.472 3.931 50 0 GHAAMO CCCSc1ccccc1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000096026911 914049493 /nfs/dbraw/zinc/04/94/93/914049493.db2.gz PAOJLCBCAWKAOQ-IBGZPJMESA-N 1 1 386.561 3.751 50 0 GHAAMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1occ2c1CCOC2 ZINC000585081637 897032102 /nfs/dbraw/zinc/03/21/02/897032102.db2.gz MOYSGQLRUHRRPM-FQEVSTJZSA-N 1 1 382.504 3.555 50 0 GHAAMO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](CCCOCc3ccccc3)C2)cc(C)n1 ZINC000952872334 904635675 /nfs/dbraw/zinc/63/56/75/904635675.db2.gz PIEZKXCBRYOCOL-JOCHJYFZSA-N 1 1 395.547 3.747 50 0 GHAAMO C[N@@H+](CCCOc1ccccc1Cl)Cc1cnc(N2CCOCC2)s1 ZINC000952872632 904636098 /nfs/dbraw/zinc/63/60/98/904636098.db2.gz QCLREYOSYCUGAP-UHFFFAOYSA-N 1 1 381.929 3.534 50 0 GHAAMO CCCC(=O)Nc1ccc(NC(=O)[C@H](c2cccc(C)c2)[NH+](C)C)cc1OC ZINC000952976903 904656552 /nfs/dbraw/zinc/65/65/52/904656552.db2.gz PZRCHEQGHRSNTL-NRFANRHFSA-N 1 1 383.492 3.984 50 0 GHAAMO Cc1ccsc1C(=O)NC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000952983740 904670047 /nfs/dbraw/zinc/67/00/47/904670047.db2.gz QLIQPPUBXNGTJH-INIZCTEOSA-N 1 1 396.516 3.749 50 0 GHAAMO Cc1ccsc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000952983740 904670055 /nfs/dbraw/zinc/67/00/55/904670055.db2.gz QLIQPPUBXNGTJH-INIZCTEOSA-N 1 1 396.516 3.749 50 0 GHAAMO Cc1cc(C)n2ncc(CNCC[C@@H]3CCCC[N@H+]3Cc3ccccc3)c2n1 ZINC000952990742 904677484 /nfs/dbraw/zinc/67/74/84/904677484.db2.gz YOYHORCIQAIIGN-QFIPXVFZSA-N 1 1 377.536 3.881 50 0 GHAAMO O=C(NCc1n[nH]c(C2CC[NH+](CC3CCCC3)CC2)n1)OCc1ccccc1 ZINC000864097601 907580704 /nfs/dbraw/zinc/58/07/04/907580704.db2.gz YHTBRLLGJSKPSH-UHFFFAOYSA-N 1 1 397.523 3.601 50 0 GHAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000254741180 916946189 /nfs/dbraw/zinc/94/61/89/916946189.db2.gz VUIXTBRWDAFYBJ-IMHXETANSA-N 1 1 376.456 3.571 50 0 GHAAMO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]12CC[N@H+](Cc1cccc(O)c1)C2 ZINC000012745919 919301807 /nfs/dbraw/zinc/30/18/07/919301807.db2.gz HIYJXIGTHOEDJU-QFIPXVFZSA-N 1 1 386.442 3.685 50 0 GHAAMO CN(Cc1ncc[nH]1)C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000019225252 919575675 /nfs/dbraw/zinc/57/56/75/919575675.db2.gz OJBDOGAGHNOSIE-QGZVFWFLSA-N 1 1 380.458 3.815 50 0 GHAAMO Cc1ccc(-c2cc(-c3nc(-c4c(C)ncc5c4CC[NH2+]C5)no3)[nH]n2)s1 ZINC000019334234 919577026 /nfs/dbraw/zinc/57/70/26/919577026.db2.gz ASERWSVNPTWAMJ-UHFFFAOYSA-N 1 1 378.461 3.513 50 0 GHAAMO O[C@@H](CNc1cc[nH+]c(N2CCCCC2)n1)c1ccc(OC(F)(F)F)cc1 ZINC000758852337 926391033 /nfs/dbraw/zinc/39/10/33/926391033.db2.gz HWIYQOFFZATJFT-HNNXBMFYSA-N 1 1 382.386 3.511 50 0 GHAAMO O=C(Nc1cccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)c1)C1CCCCC1 ZINC000655700348 930487072 /nfs/dbraw/zinc/48/70/72/930487072.db2.gz KSHAJPNFIFEFTJ-JOCHJYFZSA-N 1 1 385.552 3.548 50 0 GHAAMO O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000189898152 1020514702 /nfs/dbraw/zinc/51/47/02/1020514702.db2.gz AXBNNNPEZZRQIO-CYBMUJFWSA-N 1 1 378.929 3.740 50 0 GHAAMO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](CC3CC3)CC23CCCCC3)c(C)c1 ZINC000409420746 1031405201 /nfs/dbraw/zinc/40/52/01/1031405201.db2.gz DCBDGWFLBMTBGQ-HXUWFJFHSA-N 1 1 390.593 3.874 50 0 GHAAMO CCOc1ccc(C[NH+]2CCN(Cc3ccc(OC)c(OCC)c3)CC2)cc1 ZINC000019359665 210244012 /nfs/dbraw/zinc/24/40/12/210244012.db2.gz IWTNLBZLVSUQLX-UHFFFAOYSA-N 1 1 384.520 3.810 50 0 GHAAMO O=C(N[C@@H](c1ccccc1)c1ccncc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000426707255 231254410 /nfs/dbraw/zinc/25/44/10/231254410.db2.gz SCERMVWSOWPUIX-QFIPXVFZSA-N 1 1 378.520 3.831 50 0 GHAAMO O=C(NCc1ccoc1)c1ccc([C@@H]2CCC[N@H+]2CCCn2cccn2)s1 ZINC000019227535 210232355 /nfs/dbraw/zinc/23/23/55/210232355.db2.gz ZQVJHNGDZBRBLA-KRWDZBQOSA-N 1 1 384.505 3.695 50 0 GHAAMO CSCC(=O)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000019146964 210230001 /nfs/dbraw/zinc/23/00/01/210230001.db2.gz DGERNGKLDMXURI-IBGZPJMESA-N 1 1 375.582 3.818 50 0 GHAAMO CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000018180663 210215957 /nfs/dbraw/zinc/21/59/57/210215957.db2.gz ZGDQIDPOCBAYJK-QFIPXVFZSA-N 1 1 392.499 3.672 50 0 GHAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)ccc3o2)[NH+]2CCCCC2)o1 ZINC000015860421 210173762 /nfs/dbraw/zinc/17/37/62/210173762.db2.gz ALRDSFCMIQMJLJ-GOSISDBHSA-N 1 1 394.471 3.960 50 0 GHAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000015350781 210156363 /nfs/dbraw/zinc/15/63/63/210156363.db2.gz JXEHPRCMIGEALE-MRXNPFEDSA-N 1 1 381.476 3.760 50 0 GHAAMO CC[C@H]1C[N@@H+](CCC(=O)NCCc2ccco2)Cc2ccc(Cl)cc2O1 ZINC000015007694 210142419 /nfs/dbraw/zinc/14/24/19/210142419.db2.gz MEYKXGAXMFPVMT-KRWDZBQOSA-N 1 1 376.884 3.655 50 0 GHAAMO COc1cccc(C[C@@]2(CO)CCC[N@@H+](Cc3c(OC)cccc3OC)C2)c1 ZINC000014977953 210139477 /nfs/dbraw/zinc/13/94/77/210139477.db2.gz PCPKEFLQSJVVLZ-QHCPKHFHSA-N 1 1 385.504 3.530 50 0 GHAAMO COc1cccc(-c2nc3ccc(C(=O)NCC[C@H]4CCC[N@H+]4C)cc3o2)c1 ZINC000014963561 210134624 /nfs/dbraw/zinc/13/46/24/210134624.db2.gz JGXNIENFCRNSMS-QGZVFWFLSA-N 1 1 379.460 3.718 50 0 GHAAMO c1csc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)c1 ZINC000013213816 210055476 /nfs/dbraw/zinc/05/54/76/210055476.db2.gz POZMCLWWAHFHMU-UXHICEINSA-N 1 1 385.452 3.947 50 0 GHAAMO CC(=O)N1CCc2cc(NC(=O)C[N@H+]3CCC[C@H]3c3ccc(C)cc3)ccc21 ZINC000013009025 210046456 /nfs/dbraw/zinc/04/64/56/210046456.db2.gz HODJNHBATSMRFG-NRFANRHFSA-N 1 1 377.488 3.680 50 0 GHAAMO O=C(C[NH+]1CCC(c2nc3ccccc3o2)CC1)N1CCc2sccc2C1 ZINC000012816079 210015553 /nfs/dbraw/zinc/01/55/53/210015553.db2.gz BQIQHYHVBVFUOY-UHFFFAOYSA-N 1 1 381.501 3.654 50 0 GHAAMO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229719956 209187601 /nfs/dbraw/zinc/18/76/01/209187601.db2.gz VCKKKTRHMMVENC-PKOBYXMFSA-N 1 1 377.488 3.630 50 0 GHAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1c(Cl)cccc1Cl ZINC000022040557 211751584 /nfs/dbraw/zinc/75/15/84/211751584.db2.gz IDORAEULATXBGS-UHFFFAOYSA-N 1 1 378.303 3.750 50 0 GHAAMO CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)C1 ZINC000105378823 211622810 /nfs/dbraw/zinc/62/28/10/211622810.db2.gz XQDHJGCDKQBSMO-DMCRJLAESA-N 1 1 389.536 3.576 50 0 biogenic GHAAMO Cc1cccc(C)c1N1C(=O)C[C@@H]([NH+]2CCC(c3ccc(O)cc3)CC2)C1=O ZINC000101276529 211396654 /nfs/dbraw/zinc/39/66/54/211396654.db2.gz ZWZIALHQPUZPDJ-HXUWFJFHSA-N 1 1 378.472 3.521 50 0 GHAAMO Cc1cncnc1C1CC[NH+](Cc2sc(N3CCCC3)nc2Cl)CC1 ZINC000097675540 211370229 /nfs/dbraw/zinc/37/02/29/211370229.db2.gz ZDAFWUJGPBMGKA-UHFFFAOYSA-N 1 1 377.945 3.875 50 0 GHAAMO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000097037674 211356110 /nfs/dbraw/zinc/35/61/10/211356110.db2.gz MDBPUHJUMALLAB-UHFFFAOYSA-N 1 1 383.439 3.915 50 0 GHAAMO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCC[N@H+](C)CC1 ZINC000097037674 211356114 /nfs/dbraw/zinc/35/61/14/211356114.db2.gz MDBPUHJUMALLAB-UHFFFAOYSA-N 1 1 383.439 3.915 50 0 GHAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000096836654 211347802 /nfs/dbraw/zinc/34/78/02/211347802.db2.gz VUIXTBRWDAFYBJ-BAPGNDEYSA-N 1 1 376.456 3.571 50 0 GHAAMO C[C@H](CC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000096795040 211347839 /nfs/dbraw/zinc/34/78/39/211347839.db2.gz HRWLGHWLDGDWNR-NFBKMPQASA-N 1 1 379.548 3.675 50 0 GHAAMO C[C@H](CC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000096795040 211347843 /nfs/dbraw/zinc/34/78/43/211347843.db2.gz HRWLGHWLDGDWNR-NFBKMPQASA-N 1 1 379.548 3.675 50 0 GHAAMO C[C@H](CC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000096795040 211347847 /nfs/dbraw/zinc/34/78/47/211347847.db2.gz HRWLGHWLDGDWNR-NFBKMPQASA-N 1 1 379.548 3.675 50 0 GHAAMO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)Nc2cccc3[nH]nnc32)cc1 ZINC000096162965 211313822 /nfs/dbraw/zinc/31/38/22/211313822.db2.gz NJONCMVYOYAWSV-IBGZPJMESA-N 1 1 378.480 3.779 50 0 GHAAMO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(Cc1nc3ccccc3n1CC)CC2 ZINC000096152930 211311290 /nfs/dbraw/zinc/31/12/90/211311290.db2.gz HFPAGTUMHLFAOW-UHFFFAOYSA-N 1 1 392.551 3.539 50 0 GHAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(Cc1nc3ccccc3n1CC)CC2 ZINC000096152930 211311294 /nfs/dbraw/zinc/31/12/94/211311294.db2.gz HFPAGTUMHLFAOW-UHFFFAOYSA-N 1 1 392.551 3.539 50 0 GHAAMO Cc1ccc(NCCCNC(=O)Nc2cccc(N3C(=O)CC[C@@H]3C)c2)[nH+]c1 ZINC000096131587 211304169 /nfs/dbraw/zinc/30/41/69/211304169.db2.gz FFAYXJKEVGQGLL-INIZCTEOSA-N 1 1 381.480 3.529 50 0 GHAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(-c3nc4ccccc4[nH]3)cc1)C2 ZINC000096137472 211305584 /nfs/dbraw/zinc/30/55/84/211305584.db2.gz KTOWBFNAZLSLMV-ZWKOTPCHSA-N 1 1 375.476 3.930 50 0 GHAAMO c1cn(Cc2ccncc2)c([C@H]2CCCN(c3nc(-c4ccccc4)no3)C2)[nH+]1 ZINC000095517371 211265192 /nfs/dbraw/zinc/26/51/92/211265192.db2.gz YOQDONDYZBMSCY-IBGZPJMESA-N 1 1 386.459 3.760 50 0 GHAAMO C[C@@H]1Cc2cc(NC(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)ccc2O1 ZINC000095509904 211260987 /nfs/dbraw/zinc/26/09/87/211260987.db2.gz QGEFJGCSXJZIMB-MRXNPFEDSA-N 1 1 383.467 3.889 50 0 GHAAMO C[C@@H]1Cc2cc(NC(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)ccc2O1 ZINC000095509904 211260990 /nfs/dbraw/zinc/26/09/90/211260990.db2.gz QGEFJGCSXJZIMB-MRXNPFEDSA-N 1 1 383.467 3.889 50 0 GHAAMO CCn1ncc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)c1C ZINC000095373266 211229986 /nfs/dbraw/zinc/22/99/86/211229986.db2.gz MKXABWNTMQJYBO-HXUWFJFHSA-N 1 1 380.536 3.553 50 0 GHAAMO COc1ccc([C@@H]2C[N@@H+](Cc3cccc(OC)c3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095375826 211229863 /nfs/dbraw/zinc/22/98/63/211229863.db2.gz YMHAASJHRQEMKK-RBZQAINGSA-N 1 1 378.516 3.766 50 0 GHAAMO Cc1cccc(-c2n[nH]cc2C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)c1 ZINC000095362927 211226517 /nfs/dbraw/zinc/22/65/17/211226517.db2.gz QWDSBQSDIACHPD-UYAOXDASSA-N 1 1 378.520 3.722 50 0 GHAAMO Cc1ccc(C[N@H+]2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)c2ccccc12 ZINC000095366009 211226406 /nfs/dbraw/zinc/22/64/06/211226406.db2.gz JFFRDDXFMPQFBU-PXDATVDWSA-N 1 1 392.543 3.734 50 0 GHAAMO CCN1C[C@@]2(CCC[N@@H+](Cc3ccccc3-n3nc(C)cc3C)C2)CCC1=O ZINC000091950949 211212203 /nfs/dbraw/zinc/21/22/03/211212203.db2.gz MZUXFLPLUUNPLM-QHCPKHFHSA-N 1 1 380.536 3.714 50 0 GHAAMO CCN(CC)C(=O)C1CC[NH+](Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000091695176 211202856 /nfs/dbraw/zinc/20/28/56/211202856.db2.gz CYRKLPJRBMVGLJ-UHFFFAOYSA-N 1 1 377.838 3.834 50 0 GHAAMO COc1cccc(-c2cc(C(=O)N[C@@H]3CCC[N@@H+](Cc4cccs4)C3)[nH]n2)c1 ZINC000091645057 211200958 /nfs/dbraw/zinc/20/09/58/211200958.db2.gz PRQXXNFQRVFUEP-MRXNPFEDSA-N 1 1 396.516 3.541 50 0 GHAAMO Cc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)s1 ZINC000091829700 211208329 /nfs/dbraw/zinc/20/83/29/211208329.db2.gz AFFGXXLKJJYLBW-NRFANRHFSA-N 1 1 384.549 3.560 50 0 GHAAMO COCc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000089375074 211180319 /nfs/dbraw/zinc/18/03/19/211180319.db2.gz NVQGKKMMXKJDQH-ACJLOTCBSA-N 1 1 380.847 3.641 50 0 GHAAMO COCc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000089375074 211180320 /nfs/dbraw/zinc/18/03/20/211180320.db2.gz NVQGKKMMXKJDQH-ACJLOTCBSA-N 1 1 380.847 3.641 50 0 GHAAMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1csc(-c2ccc(Br)cc2)n1 ZINC000079025960 211152237 /nfs/dbraw/zinc/15/22/37/211152237.db2.gz CIDZSAXKXHZTLV-WCQYABFASA-N 1 1 394.338 3.658 50 0 GHAAMO Cc1ncc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-n4ccnc4C)cc3)C2)s1 ZINC000077011126 211127906 /nfs/dbraw/zinc/12/79/06/211127906.db2.gz MUCAQJRJCNPXTN-KRWDZBQOSA-N 1 1 395.532 3.796 50 0 GHAAMO COc1ccc(OC)c(-c2nc3c(C)cccc3cc2C[NH+]2CCN(C)CC2)c1 ZINC000072458630 211122789 /nfs/dbraw/zinc/12/27/89/211122789.db2.gz FNTRUPYLAPTTGE-UHFFFAOYSA-N 1 1 391.515 3.975 50 0 GHAAMO CC(C)(O)CCc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000072474796 211121559 /nfs/dbraw/zinc/12/15/59/211121559.db2.gz QAEFMVHYVMOFFP-IBGZPJMESA-N 1 1 386.561 3.846 50 0 GHAAMO CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072166530 211080324 /nfs/dbraw/zinc/08/03/24/211080324.db2.gz DEDIMLXEBJZJBA-KRWDZBQOSA-N 1 1 376.504 3.653 50 0 GHAAMO CC(C)[C@@H]1CN(C(=O)CCc2ccccn2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000072159123 211077802 /nfs/dbraw/zinc/07/78/02/211077802.db2.gz FTINHJAWGVPAKL-QFIPXVFZSA-N 1 1 383.511 3.912 50 0 GHAAMO CCC1(NC(=O)[C@@H]2CCC[N@H+](C3CCN(c4nc5ccccc5o4)CC3)C2)CC1 ZINC000071745309 211053710 /nfs/dbraw/zinc/05/37/10/211053710.db2.gz WOOCPGOYMVDFBL-QGZVFWFLSA-N 1 1 396.535 3.567 50 0 GHAAMO O=C(Nc1nccc2ccccc21)c1cccc(C[N@@H+]2CCC[C@H](CO)C2)c1 ZINC000067881688 211026348 /nfs/dbraw/zinc/02/63/48/211026348.db2.gz GZFPXXRDTKESCQ-SFHVURJKSA-N 1 1 375.472 3.691 50 0 GHAAMO CCNc1ncc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)cn1 ZINC000067785518 211021034 /nfs/dbraw/zinc/02/10/34/211021034.db2.gz YLPATLTYFBSEKW-KRWDZBQOSA-N 1 1 380.471 3.817 50 0 GHAAMO CC[NH+]1CCN(C(=O)c2cccc(-c3nc4cccnc4n3CC(C)C)c2)CC1 ZINC000065172754 210971106 /nfs/dbraw/zinc/97/11/06/210971106.db2.gz ACNKSPMMBSLTCX-UHFFFAOYSA-N 1 1 391.519 3.532 50 0 GHAAMO Cc1c2ccccc2oc1-c1noc(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000065009928 210959961 /nfs/dbraw/zinc/95/99/61/210959961.db2.gz WDMMLEDNSHNVAU-CQSZACIVSA-N 1 1 382.464 3.643 50 0 GHAAMO COc1ccccc1[C@H](CNC(=O)c1cc(-c2ccc(C)cc2)on1)[NH+](C)C ZINC000021805569 210395847 /nfs/dbraw/zinc/39/58/47/210395847.db2.gz QPWMXOJQFUODPL-IBGZPJMESA-N 1 1 379.460 3.691 50 0 GHAAMO COc1cc(OC)c(NC(=O)NC[C@@H]2CC[N@H+](C3CCCC3)C2)cc1Cl ZINC000021175342 210380444 /nfs/dbraw/zinc/38/04/44/210380444.db2.gz CJOWRXZYAFNDGO-ZDUSSCGKSA-N 1 1 381.904 3.743 50 0 GHAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(Cc3cnc(C)s3)C2)cc1OC ZINC000020785785 210361961 /nfs/dbraw/zinc/36/19/61/210361961.db2.gz PPGGVLVOBBABKC-SFHVURJKSA-N 1 1 389.565 3.608 50 0 GHAAMO CC(=O)N1CCC([N@H+]2CCO[C@H](CC(c3ccccc3)c3ccccc3)C2)CC1 ZINC000020599469 210349407 /nfs/dbraw/zinc/34/94/07/210349407.db2.gz WWEUXGIOKMJUGD-XMMPIXPASA-N 1 1 392.543 3.920 50 0 GHAAMO CCN(CC)C(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000020206132 210321938 /nfs/dbraw/zinc/32/19/38/210321938.db2.gz MPOTZEBYZNIIRW-UHFFFAOYSA-N 1 1 385.596 3.664 50 0 GHAAMO CCN(CC)C(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000020206132 210321940 /nfs/dbraw/zinc/32/19/40/210321940.db2.gz MPOTZEBYZNIIRW-UHFFFAOYSA-N 1 1 385.596 3.664 50 0 GHAAMO CCCn1ncc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)c1C ZINC000019795120 210297929 /nfs/dbraw/zinc/29/79/29/210297929.db2.gz DORXAIHCVNMGSK-NRFANRHFSA-N 1 1 399.558 3.527 50 0 GHAAMO CCCn1ncc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4F)CC3)C2)c1C ZINC000019795120 210297934 /nfs/dbraw/zinc/29/79/34/210297934.db2.gz DORXAIHCVNMGSK-NRFANRHFSA-N 1 1 399.558 3.527 50 0 GHAAMO C[N@@H+](CCc1ccccc1)[C@H]1CCCN(Cc2cnc(N3CCCC3)s2)C1 ZINC000019771053 210296095 /nfs/dbraw/zinc/29/60/95/210296095.db2.gz UXIYFQLRLXQHFY-FQEVSTJZSA-N 1 1 384.593 3.882 50 0 GHAAMO CC(=O)Nc1cccc(C(=O)N(C)[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)c1 ZINC000011933399 221137889 /nfs/dbraw/zinc/13/78/89/221137889.db2.gz PIBZZBNIYMATID-QHCPKHFHSA-N 1 1 393.531 3.814 50 0 GHAAMO Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012784830 221231918 /nfs/dbraw/zinc/23/19/18/221231918.db2.gz LYZSWJSMWLBYTF-UHFFFAOYSA-N 1 1 399.922 3.615 50 0 GHAAMO CC[N@@H+]1CCc2nc(NC(=O)c3cc(Br)ccc3F)sc2C1 ZINC000012785642 221231925 /nfs/dbraw/zinc/23/19/25/221231925.db2.gz FZJSVXHDQXJRMB-UHFFFAOYSA-N 1 1 384.274 3.675 50 0 GHAAMO CC[N@H+]1CCc2nc(NC(=O)c3cc(Br)ccc3F)sc2C1 ZINC000012785642 221231927 /nfs/dbraw/zinc/23/19/27/221231927.db2.gz FZJSVXHDQXJRMB-UHFFFAOYSA-N 1 1 384.274 3.675 50 0 GHAAMO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000072014174 222203886 /nfs/dbraw/zinc/20/38/86/222203886.db2.gz YIQSXOPUNOXWQG-HOTGVXAUSA-N 1 1 376.928 3.739 50 0 GHAAMO CC(C)N(C[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C1)C(=O)OC(C)(C)C ZINC000048274169 570226566 /nfs/dbraw/zinc/22/65/66/570226566.db2.gz MCXUXLDQVDDIOT-IRXDYDNUSA-N 1 1 383.577 3.647 50 0 GHAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc(F)cc1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000247758500 570240097 /nfs/dbraw/zinc/24/00/97/570240097.db2.gz FXRJDFUISBOYPZ-GCJKJVERSA-N 1 1 381.495 3.605 50 0 GHAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000247758500 570240098 /nfs/dbraw/zinc/24/00/98/570240098.db2.gz FXRJDFUISBOYPZ-GCJKJVERSA-N 1 1 381.495 3.605 50 0 GHAAMO CC[NH+]1CCN(c2nnc(-n3cccc3CNc3cccc(C)c3C)s2)CC1 ZINC000032941536 570248603 /nfs/dbraw/zinc/24/86/03/570248603.db2.gz CGTNKHNERIWUCX-UHFFFAOYSA-N 1 1 396.564 3.700 50 0 GHAAMO CCNc1ncc(CN2CCC[N@@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)cn1 ZINC000216455210 570302023 /nfs/dbraw/zinc/30/20/23/570302023.db2.gz AANNFZLNEWBEDV-OAQYLSRUSA-N 1 1 385.531 3.780 50 0 GHAAMO C[NH+]1CCN(Cc2ccc(C(=O)c3ccc(Br)c(F)c3)cc2)CC1 ZINC000022027924 570302750 /nfs/dbraw/zinc/30/27/50/570302750.db2.gz IHRXFNLJFIJFHP-UHFFFAOYSA-N 1 1 391.284 3.567 50 0 GHAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1OC[C@H]1CCCO1 ZINC000022692631 570325010 /nfs/dbraw/zinc/32/50/10/570325010.db2.gz HMEFYLYEBVQDRN-QUCCMNQESA-N 1 1 398.503 3.794 50 0 GHAAMO CCOc1ccc(CN2CC[N@@H+](CCCc3ccccc3)[C@@H](CCO)C2)cc1 ZINC000022913337 570334357 /nfs/dbraw/zinc/33/43/57/570334357.db2.gz HCJLYYOSAMTJBN-QHCPKHFHSA-N 1 1 382.548 3.587 50 0 GHAAMO CN1CC[NH+](CC[C@@H]2CCCCN2C(=S)Nc2ccccc2Cl)CC1 ZINC000022935549 570338403 /nfs/dbraw/zinc/33/84/03/570338403.db2.gz QXZMQQYYJKOGFS-INIZCTEOSA-N 1 1 380.989 3.529 50 0 GHAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cnc3n2[C@@H](C)CCC3)c2ccccc2C)CC1 ZINC000034905035 570339027 /nfs/dbraw/zinc/33/90/27/570339027.db2.gz QDUBZTOHPANNGC-FPOVZHCZSA-N 1 1 394.563 3.775 50 0 GHAAMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000024828983 570341878 /nfs/dbraw/zinc/34/18/78/570341878.db2.gz JVTITTFEAPWZAA-JENIJYKNSA-N 1 1 397.494 3.742 50 0 GHAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)C1CC1)[N@H+](Cc1ccccc1C)CC2 ZINC000034857337 570341910 /nfs/dbraw/zinc/34/19/10/570341910.db2.gz WOPHFNOPBNYKRS-NRFANRHFSA-N 1 1 394.515 3.638 50 0 GHAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)C1CC1)[N@@H+](Cc1ccccc1C)CC2 ZINC000034857337 570341912 /nfs/dbraw/zinc/34/19/12/570341912.db2.gz WOPHFNOPBNYKRS-NRFANRHFSA-N 1 1 394.515 3.638 50 0 GHAAMO COc1ccc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000023374383 570358155 /nfs/dbraw/zinc/35/81/55/570358155.db2.gz YJMNVJFLOXYKLH-QFIPXVFZSA-N 1 1 379.548 3.790 50 0 GHAAMO COc1ccc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000023374383 570358158 /nfs/dbraw/zinc/35/81/58/570358158.db2.gz YJMNVJFLOXYKLH-QFIPXVFZSA-N 1 1 379.548 3.790 50 0 GHAAMO C[N@@H+](Cc1cccc(Cl)c1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000008119847 570360783 /nfs/dbraw/zinc/36/07/83/570360783.db2.gz NUSOEYUHBOHEEO-UHFFFAOYSA-N 1 1 392.684 3.742 50 0 GHAAMO Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C)c1 ZINC000004593292 570386653 /nfs/dbraw/zinc/38/66/53/570386653.db2.gz ZFXRJXGNXAJOSV-UHFFFAOYSA-N 1 1 392.503 3.885 50 0 GHAAMO O=C(NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000035592963 570399075 /nfs/dbraw/zinc/39/90/75/570399075.db2.gz RBLRSZGVFGIHRG-IBGZPJMESA-N 1 1 392.421 3.899 50 0 GHAAMO O=C(NCCC[N@H+]1CCO[C@H](c2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000035592963 570399078 /nfs/dbraw/zinc/39/90/78/570399078.db2.gz RBLRSZGVFGIHRG-IBGZPJMESA-N 1 1 392.421 3.899 50 0 GHAAMO CN(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000025139336 570406989 /nfs/dbraw/zinc/40/69/89/570406989.db2.gz GTRXWHAOABABFQ-UHFFFAOYSA-N 1 1 387.911 3.514 50 0 GHAAMO O[C@H](c1cc2n(n1)CCC[N@H+](Cc1cnc(C3CCCCC3)nc1)C2)C1CC1 ZINC000222274533 570408145 /nfs/dbraw/zinc/40/81/45/570408145.db2.gz GTLJDOCPMJLCGN-NRFANRHFSA-N 1 1 381.524 3.570 50 0 GHAAMO O[C@H](c1cc2n(n1)CCC[N@@H+](Cc1cnc(C3CCCCC3)nc1)C2)C1CC1 ZINC000222274533 570408146 /nfs/dbraw/zinc/40/81/46/570408146.db2.gz GTLJDOCPMJLCGN-NRFANRHFSA-N 1 1 381.524 3.570 50 0 GHAAMO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000248894935 570414244 /nfs/dbraw/zinc/41/42/44/570414244.db2.gz JAYOBIAOSOOKGP-IAGOWNOFSA-N 1 1 393.487 3.893 50 0 GHAAMO COc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000248894935 570414251 /nfs/dbraw/zinc/41/42/51/570414251.db2.gz JAYOBIAOSOOKGP-IAGOWNOFSA-N 1 1 393.487 3.893 50 0 GHAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 ZINC000239667420 570430491 /nfs/dbraw/zinc/43/04/91/570430491.db2.gz BPXVROLCHNFTIG-UZLBHIALSA-N 1 1 393.487 3.596 50 0 GHAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 ZINC000239667420 570430493 /nfs/dbraw/zinc/43/04/93/570430493.db2.gz BPXVROLCHNFTIG-UZLBHIALSA-N 1 1 393.487 3.596 50 0 GHAAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000240244193 570430743 /nfs/dbraw/zinc/43/07/43/570430743.db2.gz DKSOWJJHTAIXHP-GXKRZCMTSA-N 1 1 386.536 3.722 50 0 GHAAMO O=C(CCC(=O)c1ccc(F)cc1)N[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012001133 570453525 /nfs/dbraw/zinc/45/35/25/570453525.db2.gz SUMHAANUMRTBPC-NRFANRHFSA-N 1 1 382.479 3.612 50 0 GHAAMO CCOC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000028280959 570453590 /nfs/dbraw/zinc/45/35/90/570453590.db2.gz VHEHDALIKARWGC-PZJWPPBQSA-N 1 1 387.451 3.579 50 0 GHAAMO Cc1c2ccc(C)cc2oc1C(=O)NCC1(N2CC[NH+](C)CC2)CCCCC1 ZINC000028292636 570456706 /nfs/dbraw/zinc/45/67/06/570456706.db2.gz AJLNVIHIAFEHNA-UHFFFAOYSA-N 1 1 383.536 3.730 50 0 GHAAMO Cc1cc(OC[C@@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)ccc1C(C)C ZINC000021487165 570537775 /nfs/dbraw/zinc/53/77/75/570537775.db2.gz UOCXXVLVSGAGBQ-QFIPXVFZSA-N 1 1 382.548 3.676 50 0 GHAAMO COc1ccc(C[C@@H](C)[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)cc1OC ZINC000023282658 570541954 /nfs/dbraw/zinc/54/19/54/570541954.db2.gz VZAXRFJCTRUVSN-QGZVFWFLSA-N 1 1 382.504 3.660 50 0 GHAAMO C[NH+]1CCN(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)CC1 ZINC000022795597 570548578 /nfs/dbraw/zinc/54/85/78/570548578.db2.gz UUXQKTNUACQTIH-UHFFFAOYSA-N 1 1 375.925 3.677 50 0 GHAAMO CC[C@H](C)[N@@H+](CCNC(=O)Nc1cn(C)c(=O)c2ccccc12)Cc1ccco1 ZINC000006724923 570552780 /nfs/dbraw/zinc/55/27/80/570552780.db2.gz RGRFTRAYHZRVPI-INIZCTEOSA-N 1 1 396.491 3.554 50 0 GHAAMO CCCC[C@@H]1C[N@H+](CCNC(=O)CSc2ccncc2)Cc2ccccc2O1 ZINC000011788157 570582909 /nfs/dbraw/zinc/58/29/09/570582909.db2.gz PSWKWHYLGSWYAQ-LJQANCHMSA-N 1 1 399.560 3.743 50 0 GHAAMO CCCC[C@@H]1C[N@@H+](CCNC(=O)CSc2ccncc2)Cc2ccccc2O1 ZINC000011788157 570582911 /nfs/dbraw/zinc/58/29/11/570582911.db2.gz PSWKWHYLGSWYAQ-LJQANCHMSA-N 1 1 399.560 3.743 50 0 GHAAMO O=C1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CCN1Cc1ccc(F)cc1 ZINC000011789758 570582934 /nfs/dbraw/zinc/58/29/34/570582934.db2.gz RILSZJYOWDBWDE-UHFFFAOYSA-N 1 1 396.441 3.589 50 0 GHAAMO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(OCCO)cc3)C2)cc1 ZINC000011879749 570591014 /nfs/dbraw/zinc/59/10/14/570591014.db2.gz ZGSUNEXCYOYVBD-IBGZPJMESA-N 1 1 385.529 3.875 50 0 GHAAMO CC(C)CN(C)C(=O)[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000039538060 570593202 /nfs/dbraw/zinc/59/32/02/570593202.db2.gz KQMXIOGJIVHOPN-JOCHJYFZSA-N 1 1 385.596 3.520 50 0 GHAAMO Cc1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)[nH]n1 ZINC000011936339 570594238 /nfs/dbraw/zinc/59/42/38/570594238.db2.gz UMZHIEGGKKPTEI-INIZCTEOSA-N 1 1 381.505 3.692 50 0 GHAAMO CC[C@@H](C)[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COCc1ccccc1 ZINC000169677827 570598130 /nfs/dbraw/zinc/59/81/30/570598130.db2.gz QAYYFTDCJZFZFS-WIYYLYMNSA-N 1 1 387.520 3.882 50 0 GHAAMO CCc1noc(C)c1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(C)c1)C2 ZINC000012022995 570598806 /nfs/dbraw/zinc/59/88/06/570598806.db2.gz CIMZFJNNFXJNGX-QHCPKHFHSA-N 1 1 381.520 3.982 50 0 GHAAMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](CCC(=O)NC3CC3)C2)c1OC ZINC000012201429 570624638 /nfs/dbraw/zinc/62/46/38/570624638.db2.gz ZZOILYIZRPEYEA-CQSZACIVSA-N 1 1 380.916 3.628 50 0 GHAAMO Cc1cccc(NC(=S)N[C@@H](C)[C@H](c2ccccc2)[NH+]2CCN(C)CC2)c1C ZINC000022928311 570631868 /nfs/dbraw/zinc/63/18/68/570631868.db2.gz YIIQGQGVJVFUGR-SIKLNZKXSA-N 1 1 396.604 3.967 50 0 GHAAMO COc1ccc(F)c(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(OC)c(OC)c3)C2)c1 ZINC000012385423 570650284 /nfs/dbraw/zinc/65/02/84/570650284.db2.gz SQFAZIFENZSWIP-MRXNPFEDSA-N 1 1 387.451 3.946 50 0 GHAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@H](C(=O)c3ccc(OC)c(OC)c3)C2)c1 ZINC000012385423 570650287 /nfs/dbraw/zinc/65/02/87/570650287.db2.gz SQFAZIFENZSWIP-MRXNPFEDSA-N 1 1 387.451 3.946 50 0 GHAAMO COc1cc(-c2nc(C[N@H+]3CCCC[C@@H]3CCNC(C)=O)c(C)o2)ccc1F ZINC000012430708 570659196 /nfs/dbraw/zinc/65/91/96/570659196.db2.gz STGHRSQPTIPZBA-QGZVFWFLSA-N 1 1 389.471 3.678 50 0 GHAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)cc1 ZINC000012433953 570661084 /nfs/dbraw/zinc/66/10/84/570661084.db2.gz VZMMLKGSAXBVKR-FQEVSTJZSA-N 1 1 380.492 3.691 50 0 GHAAMO Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(C(C)C)cc2)C3)[nH]n1 ZINC000012434210 570661523 /nfs/dbraw/zinc/66/15/23/570661523.db2.gz BLXJVORERXTUJL-HSZRJFAPSA-N 1 1 380.536 3.970 50 0 GHAAMO Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)n[nH]1 ZINC000012434210 570661529 /nfs/dbraw/zinc/66/15/29/570661529.db2.gz BLXJVORERXTUJL-HSZRJFAPSA-N 1 1 380.536 3.970 50 0 GHAAMO Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(C(C)C)cc2)C3)n[nH]1 ZINC000012434210 570661534 /nfs/dbraw/zinc/66/15/34/570661534.db2.gz BLXJVORERXTUJL-HSZRJFAPSA-N 1 1 380.536 3.970 50 0 GHAAMO COc1cc(C)ccc1Oc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cn1 ZINC000229755744 570666413 /nfs/dbraw/zinc/66/64/13/570666413.db2.gz WTSWGOZLUAMXPV-MSOLQXFVSA-N 1 1 396.491 3.939 50 0 GHAAMO CCc1ocnc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000012457461 570669607 /nfs/dbraw/zinc/66/96/07/570669607.db2.gz MHHAILAVJGAYMH-OAQYLSRUSA-N 1 1 389.446 3.644 50 0 GHAAMO CCc1ocnc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000012457461 570669608 /nfs/dbraw/zinc/66/96/08/570669608.db2.gz MHHAILAVJGAYMH-OAQYLSRUSA-N 1 1 389.446 3.644 50 0 GHAAMO COc1ccc(CC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000036395367 570679314 /nfs/dbraw/zinc/67/93/14/570679314.db2.gz QDIHEPZMVZVMDM-SFHVURJKSA-N 1 1 396.531 3.795 50 0 GHAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccco3)cc2)C1)c1cccnc1 ZINC000012570478 570680883 /nfs/dbraw/zinc/68/08/83/570680883.db2.gz GPXMNTQOHRVMMT-LJQANCHMSA-N 1 1 375.472 3.984 50 0 GHAAMO C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000036398534 570682820 /nfs/dbraw/zinc/68/28/20/570682820.db2.gz SDMSYZWCKJYUMQ-UHFFFAOYSA-N 1 1 392.377 3.703 50 0 GHAAMO C[N@H+](Cc1cc2ccccc2c(=O)[nH]1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000154628948 570685183 /nfs/dbraw/zinc/68/51/83/570685183.db2.gz JJCYOORXEQFBRI-OALUTQOASA-N 1 1 389.282 3.925 50 0 GHAAMO C[N@@H+](Cc1cc2ccccc2c(=O)[nH]1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000154628948 570685188 /nfs/dbraw/zinc/68/51/88/570685188.db2.gz JJCYOORXEQFBRI-OALUTQOASA-N 1 1 389.282 3.925 50 0 GHAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000055393300 570694302 /nfs/dbraw/zinc/69/43/02/570694302.db2.gz JPTSYFVCSMOKEV-OAHLLOKOSA-N 1 1 381.451 3.697 50 0 GHAAMO CN(C(=O)c1cccc(-n2cccn2)c1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012703617 570699615 /nfs/dbraw/zinc/69/96/15/570699615.db2.gz HJURRGGIKYCHJM-QHCPKHFHSA-N 1 1 388.515 3.651 50 0 GHAAMO COc1ccccc1NC(=O)C1CC[NH+](Cc2cn3cc(C)ccc3n2)CC1 ZINC000177253908 570719253 /nfs/dbraw/zinc/71/92/53/570719253.db2.gz QLLBTRCYXSUWMO-UHFFFAOYSA-N 1 1 378.476 3.502 50 0 GHAAMO O=C(C[N@H+]1CCC[C@@H]1C1CCCCC1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000052131692 570739636 /nfs/dbraw/zinc/73/96/36/570739636.db2.gz ZGDYZSJJNRTHSM-JOCHJYFZSA-N 1 1 397.563 3.908 50 0 GHAAMO O=C(Cc1cnc(-c2ccc(F)cc2)s1)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000036585409 570744572 /nfs/dbraw/zinc/74/45/72/570744572.db2.gz FVRBDNNBYUJKHE-VQIMIIECSA-N 1 1 387.524 3.872 50 0 GHAAMO Cc1c(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000063872307 570752635 /nfs/dbraw/zinc/75/26/35/570752635.db2.gz WVQLBNHPIJNYPX-HXUWFJFHSA-N 1 1 376.504 3.561 50 0 GHAAMO CCNc1nc(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)cc(C)[nH+]1 ZINC000064800788 570756613 /nfs/dbraw/zinc/75/66/13/570756613.db2.gz UBOSKODZZQDIAH-UHFFFAOYSA-N 1 1 391.431 3.941 50 0 GHAAMO Cc1cc(C)nc(NC(=O)c2cccc(C[N@@H+](C)[C@H](C)c3ccncn3)c2)c1 ZINC000065459197 570769540 /nfs/dbraw/zinc/76/95/40/570769540.db2.gz XVGDIYKUDFKPRS-QGZVFWFLSA-N 1 1 375.476 3.934 50 0 GHAAMO Cc1cc(C)nc(NC(=O)c2cccc(C[N@H+](C)[C@H](C)c3ccncn3)c2)c1 ZINC000065459197 570769543 /nfs/dbraw/zinc/76/95/43/570769543.db2.gz XVGDIYKUDFKPRS-QGZVFWFLSA-N 1 1 375.476 3.934 50 0 GHAAMO O=C(Cc1ccc(Cl)cc1)NCCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036700049 570794763 /nfs/dbraw/zinc/79/47/63/570794763.db2.gz HORXMYQRZQVMGD-NRFANRHFSA-N 1 1 386.923 3.852 50 0 GHAAMO O=C(Cc1ccc(Cl)cc1)NCCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036700049 570794766 /nfs/dbraw/zinc/79/47/66/570794766.db2.gz HORXMYQRZQVMGD-NRFANRHFSA-N 1 1 386.923 3.852 50 0 GHAAMO C[N@@H+]1CCN(C(=O)Nc2cc3c(cc2Cl)OCCO3)[C@@H](c2ccccc2)C1 ZINC000065516684 570829274 /nfs/dbraw/zinc/82/92/74/570829274.db2.gz BWTLSYLUBJSLKQ-QGZVFWFLSA-N 1 1 387.867 3.632 50 0 GHAAMO C[N@H+]1CCN(C(=O)Nc2cc3c(cc2Cl)OCCO3)[C@@H](c2ccccc2)C1 ZINC000065516684 570829276 /nfs/dbraw/zinc/82/92/76/570829276.db2.gz BWTLSYLUBJSLKQ-QGZVFWFLSA-N 1 1 387.867 3.632 50 0 GHAAMO COC(=O)c1sc2[nH]c(C[N@H+](C)[C@@H]3CCCc4ccccc43)nc(=O)c2c1C ZINC000007327930 570829729 /nfs/dbraw/zinc/82/97/29/570829729.db2.gz VEYLLISGSPRLRO-OAHLLOKOSA-N 1 1 397.500 3.589 50 0 GHAAMO COC(=O)c1sc2[nH]c(C[N@@H+](C)[C@@H]3CCCc4ccccc43)nc(=O)c2c1C ZINC000007327930 570829730 /nfs/dbraw/zinc/82/97/30/570829730.db2.gz VEYLLISGSPRLRO-OAHLLOKOSA-N 1 1 397.500 3.589 50 0 GHAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000007406357 570838165 /nfs/dbraw/zinc/83/81/65/570838165.db2.gz FNNDUOWODLAMCU-INIZCTEOSA-N 1 1 377.282 3.999 50 0 GHAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000037210701 570848533 /nfs/dbraw/zinc/84/85/33/570848533.db2.gz ARIWLJUERVTYDY-FOIQADDNSA-N 1 1 386.467 3.857 50 0 GHAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000037210701 570848535 /nfs/dbraw/zinc/84/85/35/570848535.db2.gz ARIWLJUERVTYDY-FOIQADDNSA-N 1 1 386.467 3.857 50 0 GHAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1Br ZINC000032911478 570914705 /nfs/dbraw/zinc/91/47/05/570914705.db2.gz GTMRBOBZIOAKDA-MRXNPFEDSA-N 1 1 391.284 3.983 50 0 GHAAMO CC(=O)c1ccc(-c2ccc(C(=O)N3CC([N@@H+]4CCCC[C@H]4C)C3)cc2)nc1 ZINC000534676938 570923124 /nfs/dbraw/zinc/92/31/24/570923124.db2.gz FAUYSKXVWAATAR-MRXNPFEDSA-N 1 1 377.488 3.650 50 0 GHAAMO CC[N@@H+](CCNC(=O)c1ccccc1SCc1csc(C)n1)C1CC1 ZINC000078454385 570933397 /nfs/dbraw/zinc/93/33/97/570933397.db2.gz SYFDGFPSBQLLCV-UHFFFAOYSA-N 1 1 375.563 3.958 50 0 GHAAMO C[C@H](NC(=O)C1CC1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023181445 570944197 /nfs/dbraw/zinc/94/41/97/570944197.db2.gz SNXVFWOKNAKOTF-MGPUTAFESA-N 1 1 387.524 3.665 50 0 GHAAMO CC[N@H+](Cc1ccc(Br)s1)Cc1cc(=O)n2c(C)csc2n1 ZINC000012679362 570948481 /nfs/dbraw/zinc/94/84/81/570948481.db2.gz AYAPUTDACBLBDW-UHFFFAOYSA-N 1 1 398.351 3.911 50 0 GHAAMO CC[N@@H+](Cc1ccc(Br)s1)Cc1cc(=O)n2c(C)csc2n1 ZINC000012679362 570948482 /nfs/dbraw/zinc/94/84/82/570948482.db2.gz AYAPUTDACBLBDW-UHFFFAOYSA-N 1 1 398.351 3.911 50 0 GHAAMO COc1ccc(CCNC(=O)[C@@H](C)[N@H+]2CCC[C@H]2c2ccsc2)cc1OC ZINC000252452680 570958847 /nfs/dbraw/zinc/95/88/47/570958847.db2.gz VWRYVJUQGLGPGK-QAPCUYQASA-N 1 1 388.533 3.650 50 0 GHAAMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000252469963 570961463 /nfs/dbraw/zinc/96/14/63/570961463.db2.gz ARWOORIAKZYBOH-PMACEKPBSA-N 1 1 375.509 3.682 50 0 GHAAMO Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000012738886 570980794 /nfs/dbraw/zinc/98/07/94/570980794.db2.gz LXXQQWXLPKLTSA-UHFFFAOYSA-N 1 1 389.499 3.927 50 0 GHAAMO CC[N@H+]1CCc2c(cccc2NC(=O)c2ccn(-c3ccc(F)cc3F)n2)C1 ZINC000252549261 570995073 /nfs/dbraw/zinc/99/50/73/570995073.db2.gz QZIVCJSYOZWGEM-UHFFFAOYSA-N 1 1 382.414 3.781 50 0 GHAAMO CCCN1CCC([N@@H+]2CCC[C@@H](Cn3c(C)cnc3-c3ccncc3)C2)CC1 ZINC000581807374 837680250 /nfs/dbraw/zinc/68/02/50/837680250.db2.gz IGICMMIKBYHKQQ-HXUWFJFHSA-N 1 1 381.568 3.840 50 0 GHAAMO CCCN1CCC([N@H+]2CCC[C@@H](Cn3c(C)cnc3-c3ccncc3)C2)CC1 ZINC000581807374 837680259 /nfs/dbraw/zinc/68/02/59/837680259.db2.gz IGICMMIKBYHKQQ-HXUWFJFHSA-N 1 1 381.568 3.840 50 0 GHAAMO CCOC(=O)/C=C/c1ccc(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000029489208 835367918 /nfs/dbraw/zinc/36/79/18/835367918.db2.gz QQZZLYRTFFZSCA-VPFXQZGESA-N 1 1 378.472 3.821 50 0 GHAAMO CCCOc1c(C[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)cccc1OCC ZINC000194927043 836527830 /nfs/dbraw/zinc/52/78/30/836527830.db2.gz SACNMSWCNJWHBR-KRWDZBQOSA-N 1 1 388.512 3.703 50 0 GHAAMO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)C1 ZINC000177870395 837317030 /nfs/dbraw/zinc/31/70/30/837317030.db2.gz JJEYNPSJJRDVPU-OAHLLOKOSA-N 1 1 385.474 3.966 50 0 GHAAMO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000055405786 861191925 /nfs/dbraw/zinc/19/19/25/861191925.db2.gz YXWHAUKPJBUSEA-UONOGXRCSA-N 1 1 392.906 3.823 50 0 GHAAMO Cc1nnc([C@H]2CC[N@@H+](Cc3ccccc3)CCN2CCc2ccccc2)[nH]1 ZINC000675013608 840872181 /nfs/dbraw/zinc/87/21/81/840872181.db2.gz OUUIVVVVLVIHGY-JOCHJYFZSA-N 1 1 375.520 3.605 50 0 GHAAMO Cc1nc([C@H]2CC[N@H+](Cc3ccccc3)CCN2CCc2ccccc2)n[nH]1 ZINC000675013608 840872189 /nfs/dbraw/zinc/87/21/89/840872189.db2.gz OUUIVVVVLVIHGY-JOCHJYFZSA-N 1 1 375.520 3.605 50 0 GHAAMO Cc1nc([C@H]2CC[N@@H+](Cc3ccccc3)CCN2CCc2ccccc2)n[nH]1 ZINC000675013608 840872198 /nfs/dbraw/zinc/87/21/98/840872198.db2.gz OUUIVVVVLVIHGY-JOCHJYFZSA-N 1 1 375.520 3.605 50 0 GHAAMO O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC([N@H+]2CCc3sccc3C2)CC1 ZINC000225689269 861249642 /nfs/dbraw/zinc/24/96/42/861249642.db2.gz XMEXTDPDBYIIIG-UHFFFAOYSA-N 1 1 392.528 3.801 50 0 GHAAMO O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC000225689269 861249660 /nfs/dbraw/zinc/24/96/60/861249660.db2.gz XMEXTDPDBYIIIG-UHFFFAOYSA-N 1 1 392.528 3.801 50 0 GHAAMO O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC([N@H+]2CCc3sccc3C2)CC1 ZINC000225689269 861249674 /nfs/dbraw/zinc/24/96/74/861249674.db2.gz XMEXTDPDBYIIIG-UHFFFAOYSA-N 1 1 392.528 3.801 50 0 GHAAMO COc1ccc(-c2n[nH]cc2CN2CC[NH+](Cc3cccs3)CC2)c(F)c1 ZINC000022851559 845759950 /nfs/dbraw/zinc/75/99/50/845759950.db2.gz LJPPMQCIGLPJMN-UHFFFAOYSA-N 1 1 386.496 3.604 50 0 GHAAMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000079073974 847511200 /nfs/dbraw/zinc/51/12/00/847511200.db2.gz CIXPDTDPEFDLCG-QGZVFWFLSA-N 1 1 391.556 3.838 50 0 GHAAMO O=C(NC[C@@H]1CCN(c2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057169479 861908171 /nfs/dbraw/zinc/90/81/71/861908171.db2.gz WFYFYDXMVAXAPU-VXKWHMMOSA-N 1 1 377.532 3.541 50 0 GHAAMO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCCN(C)C)cc1 ZINC000057303575 861950916 /nfs/dbraw/zinc/95/09/16/861950916.db2.gz ORCXIFMQHLEVMV-UHFFFAOYSA-N 1 1 378.520 3.648 50 0 GHAAMO CC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2Br)cc1 ZINC000057363016 862062994 /nfs/dbraw/zinc/06/29/94/862062994.db2.gz RWCMPGCAMPUUHU-GFCCVEGCSA-N 1 1 375.266 3.941 50 0 GHAAMO C[C@H]([NH2+][C@@H](c1cccs1)c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000057452454 862103656 /nfs/dbraw/zinc/10/36/56/862103656.db2.gz RTCYGJVRJIWVLR-YCRPNKLZSA-N 1 1 391.496 3.801 50 0 GHAAMO Cc1n[nH]c(CCC(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)c1C ZINC000012445658 862381206 /nfs/dbraw/zinc/38/12/06/862381206.db2.gz HFOXNDHYGRUTPB-HSZRJFAPSA-N 1 1 386.584 3.854 50 0 GHAAMO Cc1[nH]nc(CCC(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CCCCC2)C3)c1C ZINC000012445658 862381223 /nfs/dbraw/zinc/38/12/23/862381223.db2.gz HFOXNDHYGRUTPB-HSZRJFAPSA-N 1 1 386.584 3.854 50 0 GHAAMO Cc1[nH]nc(CCC(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)c1C ZINC000012445658 862381245 /nfs/dbraw/zinc/38/12/45/862381245.db2.gz HFOXNDHYGRUTPB-HSZRJFAPSA-N 1 1 386.584 3.854 50 0 GHAAMO CCOc1ccc(C[N@@H+](C)C[C@H](O)COc2cccc(Br)c2)cc1 ZINC000003401568 862388598 /nfs/dbraw/zinc/38/85/98/862388598.db2.gz UDKMKYPBOFYDPM-KRWDZBQOSA-N 1 1 394.309 3.720 50 0 GHAAMO COc1ccccc1CCC(=O)Nc1ccc2c(c1)C[N@@H+](C1CCOCC1)CC2 ZINC000012457042 862531046 /nfs/dbraw/zinc/53/10/46/862531046.db2.gz ISBXYCQAHPRXKM-UHFFFAOYSA-N 1 1 394.515 3.804 50 0 GHAAMO CC[N@H+](Cc1ccc2c(c1)OCCO2)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000008188148 856046071 /nfs/dbraw/zinc/04/60/71/856046071.db2.gz JEHCCWYNWXBJMQ-RBBKRZOGSA-N 1 1 397.515 3.735 50 0 GHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cc1c(C)c2c3occ(C)c3c(C)cc2oc1=O ZINC000008764874 856352260 /nfs/dbraw/zinc/35/22/60/856352260.db2.gz BKJHJRTVDZQRLQ-INIZCTEOSA-N 1 1 396.487 3.607 50 0 biogenic GHAAMO O=S(=O)(Cc1ccc(Cl)cc1)NC[C@H](c1ccsc1)[NH+]1CCCC1 ZINC000008900260 856641040 /nfs/dbraw/zinc/64/10/40/856641040.db2.gz NDOMTVNWCOYFIX-QGZVFWFLSA-N 1 1 384.954 3.658 50 0 GHAAMO COc1ccc(CC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000040107127 856664392 /nfs/dbraw/zinc/66/43/92/856664392.db2.gz GNGVAHDJZAYRNY-GOSISDBHSA-N 1 1 396.531 3.795 50 0 GHAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)CCCc3cccs3)cc2)CC1 ZINC000040115277 856667895 /nfs/dbraw/zinc/66/78/95/856667895.db2.gz GFJUHXZNUHHVOF-UHFFFAOYSA-N 1 1 385.577 3.525 50 0 GHAAMO O=S(=O)(c1ccc(C[N@H+]2CCC[C@@H]2CCc2ccccc2)o1)N1CCCC1 ZINC000040153652 856685016 /nfs/dbraw/zinc/68/50/16/856685016.db2.gz VVOAWFBEVAZSIS-LJQANCHMSA-N 1 1 388.533 3.661 50 0 GHAAMO CC(=O)Nc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000010092375 857406210 /nfs/dbraw/zinc/40/62/10/857406210.db2.gz DYYAOFHEINWXRM-FQEVSTJZSA-N 1 1 385.895 3.865 50 0 GHAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(Br)s1 ZINC000032399236 862911948 /nfs/dbraw/zinc/91/19/48/862911948.db2.gz MVKMSLDBUBKIOK-UHFFFAOYSA-N 1 1 379.323 3.689 50 0 GHAAMO COc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)c3)C2)c1 ZINC000011878152 857860140 /nfs/dbraw/zinc/86/01/40/857860140.db2.gz OSMCSFOSMBZDHL-HXUWFJFHSA-N 1 1 375.472 3.976 50 0 GHAAMO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)c3)C2)c1 ZINC000011878152 857860147 /nfs/dbraw/zinc/86/01/47/857860147.db2.gz OSMCSFOSMBZDHL-HXUWFJFHSA-N 1 1 375.472 3.976 50 0 GHAAMO COc1cc(OC)cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000012057629 858712631 /nfs/dbraw/zinc/71/26/31/858712631.db2.gz HTNMGCCSCQSTSG-GOSISDBHSA-N 1 1 388.895 3.752 50 0 GHAAMO COc1cc(OC)cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000012057629 858712643 /nfs/dbraw/zinc/71/26/43/858712643.db2.gz HTNMGCCSCQSTSG-GOSISDBHSA-N 1 1 388.895 3.752 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4cccnc4C)C3)C2)c1 ZINC000012057895 858712953 /nfs/dbraw/zinc/71/29/53/858712953.db2.gz RVQHSVMYSZMKPS-HSZRJFAPSA-N 1 1 379.504 3.527 50 0 GHAAMO CC(C)S(=O)(=O)N1CCC([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000012073543 858791549 /nfs/dbraw/zinc/79/15/49/858791549.db2.gz HHUQJASJLSAFRZ-SFHVURJKSA-N 1 1 384.973 3.612 50 0 GHAAMO CC(C)(C)OC(=O)N1CC[NH+](CCCc2ccc(Br)cc2)CC1 ZINC000116130352 858850382 /nfs/dbraw/zinc/85/03/82/858850382.db2.gz KAJYJHKFUUMSPC-UHFFFAOYSA-N 1 1 383.330 3.934 50 0 GHAAMO CCCn1c(C)c(CC(=O)NCC[C@@H]2CCC[N@H+]2C)c2c1CC(C)(C)CC2=O ZINC000012090924 858857102 /nfs/dbraw/zinc/85/71/02/858857102.db2.gz YXSGKLJVGBYTHZ-KRWDZBQOSA-N 1 1 387.568 3.505 50 0 GHAAMO C[N@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)c2ccc3[nH]cnc3c2)C1 ZINC000011936698 859012706 /nfs/dbraw/zinc/01/27/06/859012706.db2.gz NYUKDIPCVWALJT-LJQANCHMSA-N 1 1 376.504 3.590 50 0 GHAAMO COC(=O)CCCC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000012477302 859335915 /nfs/dbraw/zinc/33/59/15/859335915.db2.gz UJTORYSPRLMPAJ-JOCHJYFZSA-N 1 1 378.557 3.615 50 0 GHAAMO CC(C)c1ccc(C[N@H+](C)CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000007905924 859898822 /nfs/dbraw/zinc/89/88/22/859898822.db2.gz ZJRRWXGLDATHKX-UHFFFAOYSA-N 1 1 399.560 3.920 50 0 GHAAMO CC(C)c1ccc(C[N@@H+](C)CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000007905924 859898827 /nfs/dbraw/zinc/89/88/27/859898827.db2.gz ZJRRWXGLDATHKX-UHFFFAOYSA-N 1 1 399.560 3.920 50 0 GHAAMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000054785062 859967011 /nfs/dbraw/zinc/96/70/11/859967011.db2.gz HDUBSNXFZKMAIL-VQIMIIECSA-N 1 1 377.504 3.851 50 0 GHAAMO CCOC(=O)NCCC[NH+]1CCN(c2ccccc2S[C@@H](C)CC)CC1 ZINC000096026662 860758420 /nfs/dbraw/zinc/75/84/20/860758420.db2.gz BZGJLJXHIPJUBS-KRWDZBQOSA-N 1 1 379.570 3.835 50 0 GHAAMO Cc1cccc(OCC(=O)NC[C@@H]2CCC[N@@H+](Cc3cc(C(C)C)on3)C2)c1C ZINC000827841837 865136888 /nfs/dbraw/zinc/13/68/88/865136888.db2.gz FLPYHKQUCLVTGY-IBGZPJMESA-N 1 1 399.535 3.822 50 0 GHAAMO Cc1cccc(OCC(=O)NC[C@@H]2CCC[N@H+](Cc3cc(C(C)C)on3)C2)c1C ZINC000827841837 865136894 /nfs/dbraw/zinc/13/68/94/865136894.db2.gz FLPYHKQUCLVTGY-IBGZPJMESA-N 1 1 399.535 3.822 50 0 GHAAMO Cc1nc2ccccc2n1CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000828013088 865170492 /nfs/dbraw/zinc/17/04/92/865170492.db2.gz OPYDVXCSAUMBIA-QGZVFWFLSA-N 1 1 382.533 3.577 50 0 GHAAMO CCn1ncc(C[N@H+]2CC[C@@H](Cc3ncc(C)n3Cc3ccccc3)C2)c1C ZINC000581805796 870027277 /nfs/dbraw/zinc/02/72/77/870027277.db2.gz GDIOANCYENQTSC-NRFANRHFSA-N 1 1 377.536 3.829 50 0 GHAAMO Cc1c[nH+]c(C[C@@H]2CCN(C(=O)COc3ccccc3)C2)n1Cc1ccccc1 ZINC000581806550 870029251 /nfs/dbraw/zinc/02/92/51/870029251.db2.gz SOHCEKSXEROSMI-NRFANRHFSA-N 1 1 389.499 3.710 50 0 GHAAMO c1ccc(COCCc2noc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)cc1 ZINC000581822335 870054519 /nfs/dbraw/zinc/05/45/19/870054519.db2.gz VSFAVVNSINEOSQ-FQEVSTJZSA-N 1 1 378.476 3.604 50 0 GHAAMO CC(C)c1ccc(/C=C/C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000029882549 874905797 /nfs/dbraw/zinc/90/57/97/874905797.db2.gz YESAGSXPYBTIRI-FMIVXFBMSA-N 1 1 378.516 3.972 50 0 GHAAMO Cc1n[nH]cc1C1CC[NH+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000585081354 897052234 /nfs/dbraw/zinc/05/22/34/897052234.db2.gz KZOUREVXIBBPRK-UHFFFAOYSA-N 1 1 398.841 3.791 50 0 GHAAMO Cc1cc(-c2noc(C[N@@H+]3CC[C@@](CO)(Cc4ccc(F)cc4)C3)n2)ccc1F ZINC000585083906 897096815 /nfs/dbraw/zinc/09/68/15/897096815.db2.gz YNLLDFUGSZRZQD-JOCHJYFZSA-N 1 1 399.441 3.750 50 0 GHAAMO Cc1cc(-c2noc(C[N@H+]3CC[C@@](CO)(Cc4ccc(F)cc4)C3)n2)ccc1F ZINC000585083906 897096821 /nfs/dbraw/zinc/09/68/21/897096821.db2.gz YNLLDFUGSZRZQD-JOCHJYFZSA-N 1 1 399.441 3.750 50 0 GHAAMO Cc1nn(C)c(Cl)c1CN1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000043040565 903460340 /nfs/dbraw/zinc/46/03/40/903460340.db2.gz ZPJQPHRFUNAKOT-JOCHJYFZSA-N 1 1 386.971 3.913 50 0 GHAAMO CCC(=O)c1ccc(OCC(=O)Nc2ccccc2Cn2cc[nH+]c2C)cc1 ZINC000952978755 904657885 /nfs/dbraw/zinc/65/78/85/904657885.db2.gz FFOIJMUFXRCYKY-UHFFFAOYSA-N 1 1 377.444 3.850 50 0 GHAAMO COc1ccc(C[N@@H+](C)C[C@H]2CCN(c3ccccc3)C2)cc1Cn1cccn1 ZINC000952981482 904667242 /nfs/dbraw/zinc/66/72/42/904667242.db2.gz ZRCYKYNPXVFVKC-OAQYLSRUSA-N 1 1 390.531 3.898 50 0 GHAAMO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000190439601 906038079 /nfs/dbraw/zinc/03/80/79/906038079.db2.gz BERUXTBBMWOVGI-INIZCTEOSA-N 1 1 393.409 3.979 50 0 GHAAMO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000190439601 906038098 /nfs/dbraw/zinc/03/80/98/906038098.db2.gz BERUXTBBMWOVGI-INIZCTEOSA-N 1 1 393.409 3.979 50 0 GHAAMO CCOC(=O)c1cnn(-c2cccc(F)c2)c1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000014882396 919344899 /nfs/dbraw/zinc/34/48/99/919344899.db2.gz RPDSRZAPIAIEFG-UHFFFAOYSA-N 1 1 392.434 3.959 50 0 GHAAMO CCCC[N@@H+](C)Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000015009284 919355932 /nfs/dbraw/zinc/35/59/32/919355932.db2.gz OQYHTHCMVMGUED-UHFFFAOYSA-N 1 1 395.425 3.556 50 0 GHAAMO CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(Cc2ccc(OC)c(COC)c2)C1 ZINC000020995974 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378.476 3.869 50 0 GHAAMO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2cn(CCC(N)=O)c3ccccc23)no1 ZINC000055228350 1021751108 /nfs/dbraw/zinc/75/11/08/1021751108.db2.gz OTQXBQFUGGGOED-HXUWFJFHSA-N 1 1 380.492 3.965 50 0 GHAAMO CC(C)c1cc([C@H]2CCC[N@H+]2Cc2cn(CCC(N)=O)c3ccccc23)no1 ZINC000055228350 1021751127 /nfs/dbraw/zinc/75/11/27/1021751127.db2.gz OTQXBQFUGGGOED-HXUWFJFHSA-N 1 1 380.492 3.965 50 0 GHAAMO CCOc1ccccc1C(=O)N1CCC([C@@H]2c3[nH]cnc3CC[N@H+]2C(C)C)CC1 ZINC000409420051 1031401537 /nfs/dbraw/zinc/40/15/37/1031401537.db2.gz HIZQCVSGCLBYTQ-JOCHJYFZSA-N 1 1 396.535 3.668 50 0 GHAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cc(=O)c4ccccc4[nH]3)C2)cc1F ZINC000019146553 210228535 /nfs/dbraw/zinc/22/85/35/210228535.db2.gz OULGPJZFIXJIOZ-INIZCTEOSA-N 1 1 394.446 3.771 50 0 GHAAMO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cc(=O)c4ccccc4[nH]3)C2)cc1F ZINC000019146553 210228530 /nfs/dbraw/zinc/22/85/30/210228530.db2.gz OULGPJZFIXJIOZ-INIZCTEOSA-N 1 1 394.446 3.771 50 0 GHAAMO 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50 0 GHAAMO COc1cc(Cl)cc(CN2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)c1OC ZINC000020209234 210321665 /nfs/dbraw/zinc/32/16/65/210321665.db2.gz DFWRYSJZFYCZPN-IBGZPJMESA-N 1 1 396.959 3.559 50 0 GHAAMO COc1ccccc1N1CCC([N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)CC1 ZINC000019839416 210302188 /nfs/dbraw/zinc/30/21/88/210302188.db2.gz NTKJZBNMKYURKD-RUZDIDTESA-N 1 1 394.559 3.981 50 0 GHAAMO CN(Cc1cccn1-c1ccccn1)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000019811216 210299367 /nfs/dbraw/zinc/29/93/67/210299367.db2.gz FWEZEOKMPDJLPU-QFIPXVFZSA-N 1 1 386.543 3.936 50 0 GHAAMO Cc1ccc(C(C)C)c(OC[C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000019809594 210298130 /nfs/dbraw/zinc/29/81/30/210298130.db2.gz VBMFNKGWSVSFOD-IBGZPJMESA-N 1 1 386.511 3.819 50 0 GHAAMO Cc1cc(C)c2[nH+]ccc(N3CCN(Cc4ccsc4)[C@@H](CCO)C3)c2c1 ZINC000107008671 136191633 /nfs/dbraw/zinc/19/16/33/136191633.db2.gz FICCLHIXVHNFKE-IBGZPJMESA-N 1 1 381.545 3.986 50 0 GHAAMO CCCCc1ncc(C[N@H+]2CC[C@]3(OC)CC[C@H](Oc4ccccn4)C[C@H]23)[nH]1 ZINC000426490767 529047548 /nfs/dbraw/zinc/04/75/48/529047548.db2.gz WKODGPPLSCHJGU-CNNODRBYSA-N 1 1 384.524 3.738 50 0 GHAAMO CCCCc1nc(C[N@@H+]2CC[C@]3(OC)CC[C@H](Oc4ccccn4)C[C@H]23)c[nH]1 ZINC000426490767 529047551 /nfs/dbraw/zinc/04/75/51/529047551.db2.gz WKODGPPLSCHJGU-CNNODRBYSA-N 1 1 384.524 3.738 50 0 GHAAMO CCCCc1nc(C[N@H+]2CC[C@]3(OC)CC[C@H](Oc4ccccn4)C[C@H]23)c[nH]1 ZINC000426490767 529047555 /nfs/dbraw/zinc/04/75/55/529047555.db2.gz WKODGPPLSCHJGU-CNNODRBYSA-N 1 1 384.524 3.738 50 0 GHAAMO CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000048362250 570244333 /nfs/dbraw/zinc/24/43/33/570244333.db2.gz GBOQWJWPSMDCHX-HOTGVXAUSA-N 1 1 381.480 3.812 50 0 GHAAMO CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000048362250 570244336 /nfs/dbraw/zinc/24/43/36/570244336.db2.gz GBOQWJWPSMDCHX-HOTGVXAUSA-N 1 1 381.480 3.812 50 0 GHAAMO Cc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012284518 570281541 /nfs/dbraw/zinc/28/15/41/570281541.db2.gz HYXUIXUQEOTSAG-MOPGFXCFSA-N 1 1 379.504 3.523 50 0 GHAAMO COc1ccc(C[N@H+]2CCN(Cc3ccccc3F)C[C@@H]2CCO)c(C)c1C ZINC000022913487 570334249 /nfs/dbraw/zinc/33/42/49/570334249.db2.gz CAAQGCGRGYLDNN-NRFANRHFSA-N 1 1 386.511 3.520 50 0 GHAAMO Cc1cc(C)c(CN2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)c(-n2cccn2)c1 ZINC000022918981 570335602 /nfs/dbraw/zinc/33/56/02/570335602.db2.gz IOVANKWRMWOKRM-QFIPXVFZSA-N 1 1 396.579 3.690 50 0 GHAAMO O[C@H](COCc1ccccc1)CN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000022932016 570337189 /nfs/dbraw/zinc/33/71/89/570337189.db2.gz NTGAZQKHAKIKRJ-NRFANRHFSA-N 1 1 396.556 3.597 50 0 GHAAMO COc1ccccc1NC(=O)CN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000022933015 570337657 /nfs/dbraw/zinc/33/76/57/570337657.db2.gz BBAKMSPBEDUWDA-UHFFFAOYSA-N 1 1 395.528 3.666 50 0 GHAAMO COc1ccc(CNC(=O)C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC000023075421 570342797 /nfs/dbraw/zinc/34/27/97/570342797.db2.gz RNDMNOPLOFQONH-UHFFFAOYSA-N 1 1 392.421 3.995 50 0 GHAAMO COc1ccc(CNC(=O)C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC000023075421 570342799 /nfs/dbraw/zinc/34/27/99/570342799.db2.gz RNDMNOPLOFQONH-UHFFFAOYSA-N 1 1 392.421 3.995 50 0 GHAAMO COc1cccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cnc(C)s3)C2)c1 ZINC000023398395 570360656 /nfs/dbraw/zinc/36/06/56/570360656.db2.gz WAUAWVYSORSXHR-QGZVFWFLSA-N 1 1 387.549 3.769 50 0 GHAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1csc(-c2ccccc2)n1 ZINC000023763735 570371978 /nfs/dbraw/zinc/37/19/78/570371978.db2.gz DJAKIPXHXQMOGT-UHFFFAOYSA-N 1 1 385.533 3.575 50 0 GHAAMO COc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2ccccc2)cc1 ZINC000024193094 570380469 /nfs/dbraw/zinc/38/04/69/570380469.db2.gz FOLHFFYWVHTWAM-UHFFFAOYSA-N 1 1 399.560 3.617 50 0 GHAAMO CC[C@H]1C[N@H+](C)CCc2c3ccccc3[nH]c2C(=O)C[C@@H]1C(=COC)C(=O)OC ZINC000004532755 570382382 /nfs/dbraw/zinc/38/23/82/570382382.db2.gz PLKPNFFPTRHEAE-QZTNHXMSSA-N 1 1 398.503 3.574 50 0 GHAAMO CC[C@H]1C[N@@H+](C)CCc2c3ccccc3[nH]c2C(=O)C[C@@H]1C(=COC)C(=O)OC ZINC000004532755 570382385 /nfs/dbraw/zinc/38/23/85/570382385.db2.gz PLKPNFFPTRHEAE-QZTNHXMSSA-N 1 1 398.503 3.574 50 0 GHAAMO COc1ccccc1CNC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000004966560 570383739 /nfs/dbraw/zinc/38/37/39/570383739.db2.gz INEGZSVHHGAFDT-UHFFFAOYSA-N 1 1 395.528 3.801 50 0 GHAAMO CCCC[N@@H+](C)CCNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1 ZINC000005022675 570400261 /nfs/dbraw/zinc/40/02/61/570400261.db2.gz ZHXZWDYYFGZQMN-UHFFFAOYSA-N 1 1 388.512 3.903 50 0 GHAAMO CCOCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(C)c3)oc2C)C1 ZINC000005056505 570407259 /nfs/dbraw/zinc/40/72/59/570407259.db2.gz SQDWWQVTFIYKDV-HXUWFJFHSA-N 1 1 399.535 3.713 50 0 GHAAMO CC(C)[C@H](CNC(=O)c1ccc(Oc2ccc(F)cc2)cc1)[NH+]1CCOCC1 ZINC000025327458 570411066 /nfs/dbraw/zinc/41/10/66/570411066.db2.gz FSKGHHLWDYYQQQ-NRFANRHFSA-N 1 1 386.467 3.705 50 0 GHAAMO COc1ccc2oc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)c(C)c2c1 ZINC000025701859 570418227 /nfs/dbraw/zinc/41/82/27/570418227.db2.gz HWYWBVAULWARKB-UHFFFAOYSA-N 1 1 386.492 3.515 50 0 GHAAMO O=C(c1cc(Br)ccc1O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000026356438 570461246 /nfs/dbraw/zinc/46/12/46/570461246.db2.gz IIVQDSNLURYZGA-UHFFFAOYSA-N 1 1 389.293 3.503 50 0 GHAAMO C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000029051049 570467686 /nfs/dbraw/zinc/46/76/86/570467686.db2.gz JPRVAQFGHIJYMS-FOIQADDNSA-N 1 1 397.906 3.574 50 0 GHAAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000064725612 570527665 /nfs/dbraw/zinc/52/76/65/570527665.db2.gz DKSOWJJHTAIXHP-TWWGPRNNSA-N 1 1 386.536 3.722 50 0 GHAAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CCC(=O)c2ccc(F)cc2F)C1 ZINC000064735977 570529623 /nfs/dbraw/zinc/52/96/23/570529623.db2.gz PWKBUFRSDKQZQC-HLLBOEOZSA-N 1 1 378.463 3.792 50 0 GHAAMO COc1ccc(C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C2CC2)cc1OC ZINC000036095854 570535627 /nfs/dbraw/zinc/53/56/27/570535627.db2.gz QSJADUAHGBPETG-GOSISDBHSA-N 1 1 391.895 3.762 50 0 GHAAMO Cc1cc(OC[C@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)ccc1C(C)C ZINC000021487166 570537829 /nfs/dbraw/zinc/53/78/29/570537829.db2.gz UOCXXVLVSGAGBQ-JOCHJYFZSA-N 1 1 382.548 3.676 50 0 GHAAMO C[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146697 570549272 /nfs/dbraw/zinc/54/92/72/570549272.db2.gz VTRGDBYUEDFFIH-KUHUBIRLSA-N 1 1 376.859 3.855 50 0 GHAAMO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000035088669 570549889 /nfs/dbraw/zinc/54/98/89/570549889.db2.gz PHJKWLGEYWBQCC-GLHSZLCASA-N 1 1 392.559 3.786 50 0 GHAAMO O=C(NCCc1cccc(F)c1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000060244747 570552325 /nfs/dbraw/zinc/55/23/25/570552325.db2.gz LTHJRCCCJZGBTK-KRWDZBQOSA-N 1 1 375.513 3.641 50 0 GHAAMO CC[C@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022870645 570558505 /nfs/dbraw/zinc/55/85/05/570558505.db2.gz NNLCUWXSTGBFRV-RBBKRZOGSA-N 1 1 382.548 3.758 50 0 GHAAMO Cc1n[nH]c(CCC(=O)N2CC[C@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)c1C ZINC000011935991 570593599 /nfs/dbraw/zinc/59/35/99/570593599.db2.gz SYPBDBBBTIJNRH-XMMPIXPASA-N 1 1 394.563 3.516 50 0 GHAAMO Cc1[nH]nc(CCC(=O)N2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)c1C ZINC000011935991 570593604 /nfs/dbraw/zinc/59/36/04/570593604.db2.gz SYPBDBBBTIJNRH-XMMPIXPASA-N 1 1 394.563 3.516 50 0 GHAAMO Cc1[nH]nc(CCC(=O)N2CC[C@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)c1C ZINC000011935991 570593608 /nfs/dbraw/zinc/59/36/08/570593608.db2.gz SYPBDBBBTIJNRH-XMMPIXPASA-N 1 1 394.563 3.516 50 0 GHAAMO Cc1noc(C)c1CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000012073586 570604753 /nfs/dbraw/zinc/60/47/53/570604753.db2.gz UJOYEAVZGCUQAV-NRFANRHFSA-N 1 1 383.536 3.813 50 0 GHAAMO O=C(N[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1cc(-c2ccsc2)n[nH]1 ZINC000012305392 570638677 /nfs/dbraw/zinc/63/86/77/570638677.db2.gz IEKVLXXEUUIFHF-SFHVURJKSA-N 1 1 380.517 3.575 50 0 GHAAMO O=C(CC[C@@H]1CCC[N@H+](C2CCN(c3ccccc3F)CC2)C1)N1CCCC1 ZINC000012308063 570639841 /nfs/dbraw/zinc/63/98/41/570639841.db2.gz RHACVCOQUXTFNY-IBGZPJMESA-N 1 1 387.543 3.909 50 0 GHAAMO C[NH+]1CCN(NC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)CC1 ZINC000005569893 570647341 /nfs/dbraw/zinc/64/73/41/570647341.db2.gz AARNCVJDLUZFMV-UHFFFAOYSA-N 1 1 392.475 3.637 50 0 GHAAMO CC(C)c1ncc(Cl)c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000058407523 570648674 /nfs/dbraw/zinc/64/86/74/570648674.db2.gz AFHUEHXLTUNVBM-KRWDZBQOSA-N 1 1 386.927 3.895 50 0 GHAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(F)cc2)C1 ZINC000012387483 570651917 /nfs/dbraw/zinc/65/19/17/570651917.db2.gz MDJWLPAQWGUCNJ-MOTZXUDYSA-N 1 1 382.479 3.990 50 0 GHAAMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4ccnc(N)c4)C3)C2)cc1 ZINC000012438564 570663143 /nfs/dbraw/zinc/66/31/43/570663143.db2.gz QGCHWHJBNGXDBG-DEOSSOPVSA-N 1 1 392.547 3.916 50 0 GHAAMO C[N@H+]1CCCC[C@@H]1C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000012449049 570667703 /nfs/dbraw/zinc/66/77/03/570667703.db2.gz QWZKISBPXLLGBC-QGZVFWFLSA-N 1 1 393.409 3.993 50 0 GHAAMO C/C=C(\C)C[N@H+]1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000012582670 570684434 /nfs/dbraw/zinc/68/44/34/570684434.db2.gz GSCZOGCWCZNDEE-XODGKTMASA-N 1 1 383.580 3.789 50 0 GHAAMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(C)Cc1ccccc1OC(F)(F)F ZINC000058155773 570711410 /nfs/dbraw/zinc/71/14/10/570711410.db2.gz LTMZFMRMGZBBPA-LSDHHAIUSA-N 1 1 387.446 3.847 50 0 GHAAMO CCCCc1noc([C@H](C)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)n1 ZINC000058194459 570718595 /nfs/dbraw/zinc/71/85/95/570718595.db2.gz UCIKCIIIXMTYRB-INIZCTEOSA-N 1 1 392.931 3.823 50 0 GHAAMO C[C@H]1CCC[N@H+](CCCNC(=O)c2cc3c(s2)CN(C2CCCC2)C3)C1 ZINC000065239012 570744040 /nfs/dbraw/zinc/74/40/40/570744040.db2.gz BMANKRFEGGFAKM-INIZCTEOSA-N 1 1 375.582 3.858 50 0 GHAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2cc3c(s2)CN(C2CCCC2)C3)C1 ZINC000065239012 570744041 /nfs/dbraw/zinc/74/40/41/570744041.db2.gz BMANKRFEGGFAKM-INIZCTEOSA-N 1 1 375.582 3.858 50 0 GHAAMO CCc1cccc(C)c1NC(=O)c1nc2ccccc2nc1N1CC[NH+](C)CC1 ZINC000033086050 570807980 /nfs/dbraw/zinc/80/79/80/570807980.db2.gz VNYWRWNVBXYTHI-UHFFFAOYSA-N 1 1 389.503 3.505 50 0 GHAAMO Cc1ccccc1[C@H](C)CC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000170601443 570859081 /nfs/dbraw/zinc/85/90/81/570859081.db2.gz YNHIWKAFMOWFJI-YKSBVNFPSA-N 1 1 380.532 3.584 50 0 GHAAMO CC[C@H]1CCCC[N@H+]1CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000012568491 570872461 /nfs/dbraw/zinc/87/24/61/570872461.db2.gz LKFDRYBQPWAZAE-URXFXBBRSA-N 1 1 391.515 3.898 50 0 GHAAMO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000103929897 570890258 /nfs/dbraw/zinc/89/02/58/570890258.db2.gz HKTOYYIOKOVEKO-CHWSQXEVSA-N 1 1 386.464 3.603 50 0 GHAAMO CCOC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000103929897 570890259 /nfs/dbraw/zinc/89/02/59/570890259.db2.gz HKTOYYIOKOVEKO-CHWSQXEVSA-N 1 1 386.464 3.603 50 0 GHAAMO Cc1[nH+]c2cc3c(cc2n1C[C@H](O)c1ccc(OC(F)(F)F)cc1)OCCO3 ZINC000051288730 570891857 /nfs/dbraw/zinc/89/18/57/570891857.db2.gz ZMTJKWOOPVPVMR-INIZCTEOSA-N 1 1 394.349 3.748 50 0 GHAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NC(=S)Nc2ccccc2)CC1 ZINC000022457014 570896613 /nfs/dbraw/zinc/89/66/13/570896613.db2.gz KRADHUQCGOYLCW-QFBILLFUSA-N 1 1 388.606 3.802 50 0 GHAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1Br ZINC000032912077 570915015 /nfs/dbraw/zinc/91/50/15/570915015.db2.gz GDRRSNVRKKJLSV-MRXNPFEDSA-N 1 1 391.284 3.983 50 0 GHAAMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(OC)cc1F ZINC000089977229 570922640 /nfs/dbraw/zinc/92/26/40/570922640.db2.gz RLASQNUKLWHPLS-QGZVFWFLSA-N 1 1 386.467 3.667 50 0 GHAAMO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[N@@H+](C)C[C@@H](O)c1ccc(O)cc1 ZINC000004073150 570929888 /nfs/dbraw/zinc/92/98/88/570929888.db2.gz DNZIKYSLYLRNLJ-HWZRGEEFSA-N 1 1 399.531 3.816 50 0 biogenic GHAAMO Cc1ccc2c(c1)-c1onc(C(=O)NCCC[N@@H+]3[C@H](C)CCC[C@@H]3C)c1CO2 ZINC000032920475 570932861 /nfs/dbraw/zinc/93/28/61/570932861.db2.gz GJKAMNGTAPIQJX-IYBDPMFKSA-N 1 1 383.492 3.925 50 0 GHAAMO O=C1N[C@@H](c2ccncc2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000004091845 570933901 /nfs/dbraw/zinc/93/39/01/570933901.db2.gz ZEZMYEUJLGBNPL-LJQANCHMSA-N 1 1 376.485 3.556 50 0 GHAAMO O=C1N[C@@H](c2ccncc2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000004091845 570933904 /nfs/dbraw/zinc/93/39/04/570933904.db2.gz ZEZMYEUJLGBNPL-LJQANCHMSA-N 1 1 376.485 3.556 50 0 GHAAMO O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000025680187 570950795 /nfs/dbraw/zinc/95/07/95/570950795.db2.gz XBMNBLIDYSLQDR-UHFFFAOYSA-N 1 1 376.456 3.558 50 0 GHAAMO O=C(c1ccc(NC2CC2)nc1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000107525651 570975065 /nfs/dbraw/zinc/97/50/65/570975065.db2.gz HISYKSQYVAGOGF-IFMALSPDSA-N 1 1 390.531 3.783 50 0 GHAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1Cl ZINC000012745393 570988507 /nfs/dbraw/zinc/98/85/07/570988507.db2.gz XTMXYLYLPIFSMT-IAGOWNOFSA-N 1 1 399.922 3.868 50 0 GHAAMO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037458324 571014045 /nfs/dbraw/zinc/01/40/45/571014045.db2.gz JVTITTFEAPWZAA-SCTDSRPQSA-N 1 1 397.494 3.742 50 0 GHAAMO Cc1c(CN(C)C(=O)N[C@@H]2CCC[N@H+](Cc3cccnc3)C2)[nH]c2ccccc12 ZINC000584889407 841165577 /nfs/dbraw/zinc/16/55/77/841165577.db2.gz WIEAATZGEXLTCT-LJQANCHMSA-N 1 1 391.519 3.677 50 0 GHAAMO Cc1c(CN(C)C(=O)N[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)[nH]c2ccccc12 ZINC000584889407 841165587 /nfs/dbraw/zinc/16/55/87/841165587.db2.gz WIEAATZGEXLTCT-LJQANCHMSA-N 1 1 391.519 3.677 50 0 GHAAMO COc1ccccc1[C@H](CNC(=O)c1nc2cccnc2s1)[NH+]1CCCCC1 ZINC000193893968 841172622 /nfs/dbraw/zinc/17/26/22/841172622.db2.gz HSNZARUGKAMDCU-KRWDZBQOSA-N 1 1 396.516 3.657 50 0 GHAAMO O=C(c1ccc(Oc2nccs2)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000225637503 861229220 /nfs/dbraw/zinc/22/92/20/861229220.db2.gz UJSAZHVEKIEUAS-UHFFFAOYSA-N 1 1 393.512 3.936 50 0 GHAAMO Cc1cc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)nn1-c1ccc(F)cc1F ZINC000178692416 844840391 /nfs/dbraw/zinc/84/03/91/844840391.db2.gz DFXFXFZJVOJYKI-UHFFFAOYSA-N 1 1 388.462 3.549 50 0 GHAAMO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2ccc3sncc3c2)CC1 ZINC000194295825 846258078 /nfs/dbraw/zinc/25/80/78/846258078.db2.gz HXPZEONGDVCTKN-UHFFFAOYSA-N 1 1 390.553 3.899 50 0 GHAAMO CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000056646895 861697014 /nfs/dbraw/zinc/69/70/14/861697014.db2.gz OYTLQMKGNOEKLW-OWCLPIDISA-N 1 1 376.501 3.743 50 0 GHAAMO CC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2Br)cc1 ZINC000057363014 862061594 /nfs/dbraw/zinc/06/15/94/862061594.db2.gz RWCMPGCAMPUUHU-LBPRGKRZSA-N 1 1 375.266 3.941 50 0 GHAAMO CSc1cccc(NC(=S)N2CCC([N@@H+](C)C[C@H]3CCCO3)CC2)c1 ZINC000003058227 862153136 /nfs/dbraw/zinc/15/31/36/862153136.db2.gz JKRXAYPPZOJILM-QGZVFWFLSA-N 1 1 379.595 3.681 50 0 GHAAMO CCOc1c(Cl)cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000030029501 862203715 /nfs/dbraw/zinc/20/37/15/862203715.db2.gz BGWTWWSRKCIAMY-SFHVURJKSA-N 1 1 388.895 3.876 50 0 GHAAMO CCOc1c(Cl)cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000030029501 862203734 /nfs/dbraw/zinc/20/37/34/862203734.db2.gz BGWTWWSRKCIAMY-SFHVURJKSA-N 1 1 388.895 3.876 50 0 GHAAMO O=C(c1cc(F)ccc1Br)N1CC[NH+](CCc2ccccc2)CC1 ZINC000057810313 862249932 /nfs/dbraw/zinc/24/99/32/862249932.db2.gz WAZYTHUZBPAEGR-UHFFFAOYSA-N 1 1 391.284 3.589 50 0 GHAAMO CN(C(=O)c1ccc2nccnc2c1)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012455744 862519139 /nfs/dbraw/zinc/51/91/39/862519139.db2.gz XGJJBFXJCDYEEQ-NRFANRHFSA-N 1 1 388.515 3.799 50 0 GHAAMO Clc1ccc(Cl)c(OCC[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000171622864 862547596 /nfs/dbraw/zinc/54/75/96/862547596.db2.gz PITCBTPJHKSCDM-ZDUSSCGKSA-N 1 1 381.307 3.790 50 0 GHAAMO COc1cccc(C[N@@H+]2CCOc3ccc([C@@H](O)c4cccnc4)cc3C2)c1 ZINC000012024488 854971333 /nfs/dbraw/zinc/97/13/33/854971333.db2.gz SUHAJKLOGVNKPU-HSZRJFAPSA-N 1 1 376.456 3.567 50 0 GHAAMO COc1cccc(C[N@H+]2CCOc3ccc([C@@H](O)c4cccnc4)cc3C2)c1 ZINC000012024488 854971336 /nfs/dbraw/zinc/97/13/36/854971336.db2.gz SUHAJKLOGVNKPU-HSZRJFAPSA-N 1 1 376.456 3.567 50 0 GHAAMO COc1ccc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1OC ZINC000038677361 856236995 /nfs/dbraw/zinc/23/69/95/856236995.db2.gz WOHWNJZVAFSGES-MRXNPFEDSA-N 1 1 377.872 3.782 50 0 GHAAMO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OC)c(F)c2)c1C ZINC000009076938 856756264 /nfs/dbraw/zinc/75/62/64/856756264.db2.gz ZOAYNKBEHQIIHD-JSGCOSHPSA-N 1 1 390.455 3.878 50 0 GHAAMO CCCc1ncc(C[N@H+]2CC[C@@]3(C2)CCCN(CC2CCCCC2)C3=O)cn1 ZINC000012570445 857593410 /nfs/dbraw/zinc/59/34/10/857593410.db2.gz WCZPCNAIGYQBEN-HSZRJFAPSA-N 1 1 384.568 3.824 50 0 GHAAMO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)s3)C2)no1 ZINC000011874937 857860359 /nfs/dbraw/zinc/86/03/59/857860359.db2.gz WJHLIHCGGWWARH-INIZCTEOSA-N 1 1 396.516 3.749 50 0 GHAAMO Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCCO4)nc12 ZINC000007989126 862969339 /nfs/dbraw/zinc/96/93/39/862969339.db2.gz YVPNBDBEUQKYQG-LJQANCHMSA-N 1 1 391.471 3.501 50 0 GHAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CCc3ccncc3)C2)cc1 ZINC000012437734 859308832 /nfs/dbraw/zinc/30/88/32/859308832.db2.gz WVPOTRJMIVGBCQ-HSZRJFAPSA-N 1 1 379.548 3.994 50 0 GHAAMO O[C@]1(c2ccccn2)CCOC2(CC[NH+](Cc3ccc(Cl)cc3F)CC2)C1 ZINC000257174548 859342328 /nfs/dbraw/zinc/34/23/28/859342328.db2.gz ICJHTLGFONCWFW-OAQYLSRUSA-N 1 1 390.886 3.907 50 0 GHAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+](C)C[C@@H](O)c4ccc(O)cc4)[C@H]3C=C12 ZINC000012866962 859636032 /nfs/dbraw/zinc/63/60/32/859636032.db2.gz UIYOCYWELGJUCX-YKSLBKPUSA-N 1 1 399.531 3.672 50 0 biogenic GHAAMO COc1cccc(CN2CCC([N@H+]3C[C@@H](OCC4CC4)C34CCCCC4)CC2)n1 ZINC000169787011 859783218 /nfs/dbraw/zinc/78/32/18/859783218.db2.gz XVTRWMPDAIGFQB-JOCHJYFZSA-N 1 1 399.579 3.868 50 0 GHAAMO Cc1c[nH+]c(C[C@@H]2CCCN(C(=O)NCC(C)C)C2)n1Cc1ccc(F)cc1 ZINC000257192555 860209989 /nfs/dbraw/zinc/20/99/89/860209989.db2.gz UZCGMPLMRKLGCY-IBGZPJMESA-N 1 1 386.515 3.999 50 0 GHAAMO O=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000096099696 860781676 /nfs/dbraw/zinc/78/16/76/860781676.db2.gz RVTYIHRYWONUQA-NRFANRHFSA-N 1 1 384.907 3.678 50 0 GHAAMO O=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000096099697 860782015 /nfs/dbraw/zinc/78/20/15/860782015.db2.gz RVTYIHRYWONUQA-OAQYLSRUSA-N 1 1 384.907 3.678 50 0 GHAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2cccc(Cl)c2)CC1 ZINC000022460197 861126054 /nfs/dbraw/zinc/12/60/54/861126054.db2.gz KFOGXLJGVWEUII-HNAYVOBHSA-N 1 1 391.968 3.899 50 0 GHAAMO COc1ccc2c(c1)c(C(=O)N[C@@H](C)C[N@H+]1CCc3ccccc3C1)c(C)n2C ZINC000824757796 864131231 /nfs/dbraw/zinc/13/12/31/864131231.db2.gz HNCRYKYTADWOSV-INIZCTEOSA-N 1 1 391.515 3.672 50 0 GHAAMO COCc1cc(Cl)ccc1NC(=O)N(C)[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](OC)C1 ZINC000626593037 864567983 /nfs/dbraw/zinc/56/79/83/864567983.db2.gz GARHSUZYLRSNCN-QRQLOZEOSA-N 1 1 395.931 3.592 50 0 GHAAMO CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000826595243 864711142 /nfs/dbraw/zinc/71/11/42/864711142.db2.gz SPDOFLFKYMETOP-QGZVFWFLSA-N 1 1 396.466 3.679 50 0 GHAAMO CN(Cc1ccc2nonc2c1)C(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000826583389 864711273 /nfs/dbraw/zinc/71/12/73/864711273.db2.gz VUORFYSTPBXUOF-HXUWFJFHSA-N 1 1 382.439 3.548 50 0 GHAAMO O=C(NC[C@@H](c1ccc(F)cc1)N1CCCC1)C1CC[NH+](Cc2ccco2)CC1 ZINC000827758274 865089726 /nfs/dbraw/zinc/08/97/26/865089726.db2.gz GWOOYWPADKOYEY-QFIPXVFZSA-N 1 1 399.510 3.584 50 0 GHAAMO Cc1c[nH+]c(C[C@@H]2CCCN(S(=O)(=O)c3cccc(F)c3)C2)n1C(C)C ZINC000575317329 865991551 /nfs/dbraw/zinc/99/15/51/865991551.db2.gz GERBWLIOZWLVTF-INIZCTEOSA-N 1 1 379.501 3.555 50 0 GHAAMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cn(C(C)(C)C)nc1C ZINC000183773158 867749175 /nfs/dbraw/zinc/74/91/75/867749175.db2.gz FKULIQHPYMHICN-IBGZPJMESA-N 1 1 398.551 3.779 50 0 GHAAMO O=C(C1CCCCC1)N1CCC(Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000581810072 870041794 /nfs/dbraw/zinc/04/17/94/870041794.db2.gz OEBUOKQCFSEWHQ-UHFFFAOYSA-N 1 1 384.564 3.880 50 0 GHAAMO COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000179778379 878006484 /nfs/dbraw/zinc/00/64/84/878006484.db2.gz DODDFRGOWRDNCY-CQSZACIVSA-N 1 1 388.418 3.719 50 0 GHAAMO COc1ccc2nc(CNC(=O)c3ccc([C@H](C)[NH+]4CCCCC4)o3)[nH]c2c1 ZINC000670457186 893574742 /nfs/dbraw/zinc/57/47/42/893574742.db2.gz RKQZURRQYJBCIU-AWEZNQCLSA-N 1 1 382.464 3.641 50 0 GHAAMO C[N@H+](Cc1cccnc1)C[C@@H]1CCCN(C(=O)Cc2ccc(Cl)s2)C1 ZINC000585080050 897020598 /nfs/dbraw/zinc/02/05/98/897020598.db2.gz UXBRYDRMIAQAJH-INIZCTEOSA-N 1 1 377.941 3.710 50 0 GHAAMO Cc1ncc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1-c1ccccc1 ZINC000192354979 904335410 /nfs/dbraw/zinc/33/54/10/904335410.db2.gz CFKCBBVUDRFZTR-XMMPIXPASA-N 1 1 390.531 3.561 50 0 GHAAMO Cc1ncc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)n1-c1ccccc1 ZINC000192354979 904335422 /nfs/dbraw/zinc/33/54/22/904335422.db2.gz CFKCBBVUDRFZTR-XMMPIXPASA-N 1 1 390.531 3.561 50 0 GHAAMO Cc1csc(SCC(=O)NC[C@@H](c2ccccc2F)[NH+]2CCCC2)n1 ZINC000952870287 904633965 /nfs/dbraw/zinc/63/39/65/904633965.db2.gz ZPWAPRZXFYEIFY-INIZCTEOSA-N 1 1 379.526 3.636 50 0 GHAAMO Cc1ncnc(C)c1C(=O)NC[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000952872035 904635593 /nfs/dbraw/zinc/63/55/93/904635593.db2.gz HZYFFUHTHMAQKX-OAHLLOKOSA-N 1 1 390.890 3.528 50 0 GHAAMO Cc1ncnc(C)c1C(=O)NC[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000952872035 904635599 /nfs/dbraw/zinc/63/55/99/904635599.db2.gz HZYFFUHTHMAQKX-OAHLLOKOSA-N 1 1 390.890 3.528 50 0 GHAAMO C[C@@H](O)c1nc2ccc(NC(=O)c3ccc(C[NH+]4CCC(C)CC4)o3)cc2[nH]1 ZINC000952970130 904647514 /nfs/dbraw/zinc/64/75/14/904647514.db2.gz QPDMWXQWISJXLS-CQSZACIVSA-N 1 1 382.464 3.693 50 0 GHAAMO Cc1ccc(N2CCC(N3CC[N@H+](C4CCCCC4)[C@H](CCO)C3)CC2)cc1 ZINC000038149260 910813255 /nfs/dbraw/zinc/81/32/55/910813255.db2.gz QLBFNXZVMSCELP-XMMPIXPASA-N 1 1 385.596 3.665 50 0 GHAAMO Cc1ccc(N2CCC([N@@H+]3CCN(C4CCCCC4)[C@H](CCO)C3)CC2)cc1 ZINC000038149260 910813268 /nfs/dbraw/zinc/81/32/68/910813268.db2.gz QLBFNXZVMSCELP-XMMPIXPASA-N 1 1 385.596 3.665 50 0 GHAAMO Cc1ccc(N2CCC([N@H+]3CCN(C4CCCCC4)[C@H](CCO)C3)CC2)cc1 ZINC000038149260 910813275 /nfs/dbraw/zinc/81/32/75/910813275.db2.gz QLBFNXZVMSCELP-XMMPIXPASA-N 1 1 385.596 3.665 50 0 GHAAMO COc1ccc(/C=C/C[N@H+]2CCc3ccc(NC(=O)[C@@H]4CCCO4)cc3C2)cc1 ZINC000015070937 919356683 /nfs/dbraw/zinc/35/66/83/919356683.db2.gz IMWPZYFDMMBCMG-ZGVNINRLSA-N 1 1 392.499 3.884 50 0 GHAAMO CCOc1cccc(CN2CC[N@@H+](CCCc3ccccc3)[C@H](CCO)C2)c1 ZINC000039400293 919710688 /nfs/dbraw/zinc/71/06/88/919710688.db2.gz KJNKUAMDLGHZFD-HSZRJFAPSA-N 1 1 382.548 3.587 50 0 GHAAMO COc1ncc(Br)cc1C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000660180276 930490659 /nfs/dbraw/zinc/49/06/59/930490659.db2.gz XVLHKSXDYPTQTG-LLVKDONJSA-N 1 1 378.270 3.662 50 0 GHAAMO COc1ccccc1/C=C/CN1CC[N@@H+](CCCc2ccccc2)[C@@H](CCO)C1 ZINC000019335188 210242012 /nfs/dbraw/zinc/24/20/12/210242012.db2.gz XOVAXEHOYFYFGM-IEKAHNGHSA-N 1 1 394.559 3.710 50 0 GHAAMO OCC[C@H]1CN(Cc2ccc(F)cc2Cl)CC[N@H+]1CCc1ccccc1 ZINC000019225974 210232287 /nfs/dbraw/zinc/23/22/87/210232287.db2.gz OWKZZTPIQBYHQX-FQEVSTJZSA-N 1 1 376.903 3.590 50 0 GHAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(F)cc2)c(OC)c1 ZINC000016382332 210189652 /nfs/dbraw/zinc/18/96/52/210189652.db2.gz VMGNISGCRKABAB-HXUWFJFHSA-N 1 1 386.467 3.638 50 0 GHAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(F)cc2)c(OC)c1 ZINC000016382332 210189657 /nfs/dbraw/zinc/18/96/57/210189657.db2.gz VMGNISGCRKABAB-HXUWFJFHSA-N 1 1 386.467 3.638 50 0 GHAAMO CC[N@@H+](CCCNC(=O)Nc1cn(C)c(=O)c2ccccc12)Cc1ccccc1 ZINC000015680470 210162431 /nfs/dbraw/zinc/16/24/31/210162431.db2.gz JQAROYFDHJJMAV-UHFFFAOYSA-N 1 1 392.503 3.572 50 0 GHAAMO CC(C)c1ccc(NC(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000015543836 210157736 /nfs/dbraw/zinc/15/77/36/210157736.db2.gz JIHVRXIKQDNISN-UHFFFAOYSA-N 1 1 385.552 3.863 50 0 GHAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3cccc4c3OCO4)C2)cc1 ZINC000015075968 210149956 /nfs/dbraw/zinc/14/99/56/210149956.db2.gz HQNVBJUBVGEFAH-HXUWFJFHSA-N 1 1 396.531 3.810 50 0 GHAAMO CCN(Cc1ccncc1)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000015066332 210149171 /nfs/dbraw/zinc/14/91/71/210149171.db2.gz QDULYCVMTJFITM-HSZRJFAPSA-N 1 1 397.563 3.719 50 0 GHAAMO COc1cccc(C(=O)N(CCc2ccccc2)C[C@H]2CCC[N@@H+](C)C2)c1OC ZINC000015065950 210147056 /nfs/dbraw/zinc/14/70/56/210147056.db2.gz ZITCAJZKMWNQHT-FQEVSTJZSA-N 1 1 396.531 3.731 50 0 GHAAMO Cn1cc(C[N@@H+](C)C[C@H]2COCCO2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000014962880 210132847 /nfs/dbraw/zinc/13/28/47/210132847.db2.gz KIDCIRJOAMEBIX-QFIPXVFZSA-N 1 1 383.536 3.982 50 0 GHAAMO C[C@@H]1CCCC[C@]12NC(=O)N(C[NH+]1CCC(CCc3ccccc3)CC1)C2=O ZINC000014201602 210110267 /nfs/dbraw/zinc/11/02/67/210110267.db2.gz SNKMDNGSRAIBSX-JPYJTQIMSA-N 1 1 383.536 3.789 50 0 GHAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(C)cc2)c1 ZINC000012915366 210028550 /nfs/dbraw/zinc/02/85/50/210028550.db2.gz XTZQDULHLSDZKA-OAQYLSRUSA-N 1 1 382.504 3.808 50 0 GHAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(C)cc2)c1 ZINC000012915366 210028557 /nfs/dbraw/zinc/02/85/57/210028557.db2.gz XTZQDULHLSDZKA-OAQYLSRUSA-N 1 1 382.504 3.808 50 0 GHAAMO Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)c12 ZINC000012910868 210026217 /nfs/dbraw/zinc/02/62/17/210026217.db2.gz LZQHEAFASRJHLW-HXUWFJFHSA-N 1 1 391.519 3.529 50 0 GHAAMO Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)c12 ZINC000012910868 210026222 /nfs/dbraw/zinc/02/62/22/210026222.db2.gz LZQHEAFASRJHLW-HXUWFJFHSA-N 1 1 391.519 3.529 50 0 GHAAMO CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000012893568 210023877 /nfs/dbraw/zinc/02/38/77/210023877.db2.gz KFUMJQOYZLRSOA-QGZVFWFLSA-N 1 1 379.504 3.927 50 0 GHAAMO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cccc(Br)c1 ZINC000012868012 210020009 /nfs/dbraw/zinc/02/00/09/210020009.db2.gz ADIITHMBPGGDTB-UHFFFAOYSA-N 1 1 377.282 3.918 50 0 GHAAMO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cccc(Br)c1 ZINC000012868012 210020011 /nfs/dbraw/zinc/02/00/11/210020011.db2.gz ADIITHMBPGGDTB-UHFFFAOYSA-N 1 1 377.282 3.918 50 0 GHAAMO Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)c1C ZINC000012748485 210001958 /nfs/dbraw/zinc/00/19/58/210001958.db2.gz ADKVFUYFBDUYIR-UHFFFAOYSA-N 1 1 391.874 3.995 50 0 GHAAMO Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)c1C ZINC000012748485 210001965 /nfs/dbraw/zinc/00/19/65/210001965.db2.gz ADKVFUYFBDUYIR-UHFFFAOYSA-N 1 1 391.874 3.995 50 0 GHAAMO O=c1cc(C[NH+]2CCN(c3ccccc3F)CC2)c2cc3c(cc2o1)CCC3 ZINC000054105967 209213278 /nfs/dbraw/zinc/21/32/78/209213278.db2.gz SYDPBXLMBVLUIJ-UHFFFAOYSA-N 1 1 378.447 3.743 50 0 GHAAMO C[C@@H](C(=O)Nc1ccccc1N1CCCC1=O)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229723340 209186837 /nfs/dbraw/zinc/18/68/37/209186837.db2.gz RQCCLMWBRSGSHR-PKOBYXMFSA-N 1 1 377.488 3.630 50 0 GHAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(SC(F)(F)F)cc2)C[C@H](C)O1 ZINC000021061723 211740345 /nfs/dbraw/zinc/74/03/45/211740345.db2.gz WBESNEKSJWHIPX-STQMWFEESA-N 1 1 390.471 3.916 50 0 GHAAMO COc1cccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3cccs3)C2)c1 ZINC000097105874 211358745 /nfs/dbraw/zinc/35/87/45/211358745.db2.gz IJPVFBUEXAGARQ-LJQANCHMSA-N 1 1 383.517 3.920 50 0 GHAAMO COCC[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Cl)c3ccccc23)C1 ZINC000096162404 211312925 /nfs/dbraw/zinc/31/29/25/211312925.db2.gz RDEMHKQBXPKNHQ-HNNXBMFYSA-N 1 1 375.900 3.973 50 0 GHAAMO CC(=O)c1cc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)n(C)c1 ZINC000095531588 211277153 /nfs/dbraw/zinc/27/71/53/211277153.db2.gz UYFJAYSMTXEQEA-QGZVFWFLSA-N 1 1 385.483 3.998 50 0 GHAAMO CC(=O)c1cc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)n(C)c1 ZINC000095531588 211277158 /nfs/dbraw/zinc/27/71/58/211277158.db2.gz UYFJAYSMTXEQEA-QGZVFWFLSA-N 1 1 385.483 3.998 50 0 GHAAMO O=C(NC[C@H]1CCC[N@H+](CC2=Cc3cc(Cl)ccc3OC2)C1)c1ccco1 ZINC000095524076 211270156 /nfs/dbraw/zinc/27/01/56/211270156.db2.gz LEUKBHSMILAKJK-OAHLLOKOSA-N 1 1 386.879 3.851 50 0 GHAAMO c1c[nH+]c([C@H]2CCCN(c3nnnn3-c3ccc(Oc4ccccc4)cc3)C2)[nH]1 ZINC000095508167 211260982 /nfs/dbraw/zinc/26/09/82/211260982.db2.gz CNPMDJUQMYOZRW-INIZCTEOSA-N 1 1 387.447 3.562 50 0 GHAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cncs2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000095508090 211260583 /nfs/dbraw/zinc/26/05/83/211260583.db2.gz IVUTUZHAINJIGX-HNNXBMFYSA-N 1 1 389.952 3.857 50 0 GHAAMO Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc3ccccc3n1)C2 ZINC000095392300 211237403 /nfs/dbraw/zinc/23/74/03/211237403.db2.gz SYTPDZRPRHRHPA-GHTZIAJQSA-N 1 1 376.504 3.936 50 0 GHAAMO Cc1noc(C)c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc3ccccc3n2)C1 ZINC000095392300 211237407 /nfs/dbraw/zinc/23/74/07/211237407.db2.gz SYTPDZRPRHRHPA-GHTZIAJQSA-N 1 1 376.504 3.936 50 0 GHAAMO Cc1noc(C)c1CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc3ccccc3n2)C1 ZINC000095392300 211237408 /nfs/dbraw/zinc/23/74/08/211237408.db2.gz SYTPDZRPRHRHPA-GHTZIAJQSA-N 1 1 376.504 3.936 50 0 GHAAMO Cc1ccc([C@@H](NC(=O)CN2CCC3(CCC[N@@H+]3C)CC2)c2cccs2)cc1 ZINC000095459821 211243959 /nfs/dbraw/zinc/24/39/59/211243959.db2.gz XCDXHHXVIUYZQD-JOCHJYFZSA-N 1 1 397.588 3.822 50 0 GHAAMO CC(C)[N@@H+](C)Cc1ccc(CNC(=O)c2ccc(OCC(F)(F)F)nc2)cc1 ZINC000095361122 211224380 /nfs/dbraw/zinc/22/43/80/211224380.db2.gz MNBJKWUIPBTUKW-UHFFFAOYSA-N 1 1 395.425 3.793 50 0 GHAAMO Cc1ccc(C[N@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)s1 ZINC000095360573 211224386 /nfs/dbraw/zinc/22/43/86/211224386.db2.gz CCYLWCZQZBNWHL-VLCRHTCISA-N 1 1 382.529 3.847 50 0 GHAAMO CCNC(=O)c1ccc(C[NH2+]Cc2cc3cnn(C(C)C)c3nc2Cl)cc1 ZINC000095361044 211223182 /nfs/dbraw/zinc/22/31/82/211223182.db2.gz GMOKGNGQZBUWIP-UHFFFAOYSA-N 1 1 385.899 3.705 50 0 GHAAMO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(Cc2cnc(-c4ccccn4)nc2)C3)cc1 ZINC000095364091 211225049 /nfs/dbraw/zinc/22/50/49/211225049.db2.gz MOJONBIBGNNEDG-RBBKRZOGSA-N 1 1 385.515 3.635 50 0 GHAAMO O=C1CC[C@]2(CCC[N@@H+](Cc3cccc(Cl)c3)C2)CN1CCc1cnc[nH]1 ZINC000091829856 211208936 /nfs/dbraw/zinc/20/89/36/211208936.db2.gz HAKSEEJDPVXSOL-NRFANRHFSA-N 1 1 386.927 3.510 50 0 GHAAMO O=C1CC[C@]2(CCC[N@H+](Cc3cccc(Cl)c3)C2)CN1CCc1cnc[nH]1 ZINC000091829856 211208939 /nfs/dbraw/zinc/20/89/39/211208939.db2.gz HAKSEEJDPVXSOL-NRFANRHFSA-N 1 1 386.927 3.510 50 0 GHAAMO O=C1CC[C@]2(CCC[N@H+](Cc3cccc(Cl)c3)C2)CN1CCc1c[nH]cn1 ZINC000091829856 211208931 /nfs/dbraw/zinc/20/89/31/211208931.db2.gz HAKSEEJDPVXSOL-NRFANRHFSA-N 1 1 386.927 3.510 50 0 GHAAMO O=C1[C@H](c2ccccc2)CC2(CC[NH+](Cc3nccs3)CC2)CN1C1CC1 ZINC000092078061 211214557 /nfs/dbraw/zinc/21/45/57/211214557.db2.gz SWYJVTKPUJUINU-IBGZPJMESA-N 1 1 381.545 3.904 50 0 GHAAMO O=C(NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2)c1ccc2ccccc2n1 ZINC000091476720 211195256 /nfs/dbraw/zinc/19/52/56/211195256.db2.gz MSBNVKMYLSAZDI-UHFFFAOYSA-N 1 1 389.503 3.510 50 0 GHAAMO CSc1ncc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)cn1 ZINC000091745450 211205320 /nfs/dbraw/zinc/20/53/20/211205320.db2.gz BVUDPCWLGOBYSY-HXUWFJFHSA-N 1 1 382.577 3.900 50 0 GHAAMO CSc1ncc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)cn1 ZINC000091745450 211205322 /nfs/dbraw/zinc/20/53/22/211205322.db2.gz BVUDPCWLGOBYSY-HXUWFJFHSA-N 1 1 382.577 3.900 50 0 GHAAMO CSc1ccccc1C(=O)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2 ZINC000091780115 211204706 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388.515 3.867 50 0 GHAAMO C[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072410496 211113264 /nfs/dbraw/zinc/11/32/64/211113264.db2.gz PCTCNWQKBBMJTL-SFHVURJKSA-N 1 1 380.532 3.567 50 0 GHAAMO CC[N@@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)[C@H](COC)Cc1ccccc1 ZINC000072309410 211088287 /nfs/dbraw/zinc/08/82/87/211088287.db2.gz HLUVOIVJRZHQFA-SFHVURJKSA-N 1 1 395.459 3.545 50 0 GHAAMO CN(Cc1ccoc1)C(=O)C1([N@@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072173843 211082281 /nfs/dbraw/zinc/08/22/81/211082281.db2.gz JVYQXUDULABHSY-UHFFFAOYSA-N 1 1 388.511 3.950 50 0 GHAAMO CC(C)c1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)c(=O)[nH]1 ZINC000072150885 211075691 /nfs/dbraw/zinc/07/56/91/211075691.db2.gz VLPNVKHSSMGOFU-FQEVSTJZSA-N 1 1 395.547 3.668 50 0 GHAAMO CC(C)[C@@H]1C[N@H+](Cc2cncn2C(C)C)CCC(=O)N1Cc1ccc(F)cc1 ZINC000072166020 211079650 /nfs/dbraw/zinc/07/96/50/211079650.db2.gz AHYIIUKRSUDGKC-NRFANRHFSA-N 1 1 386.515 3.862 50 0 GHAAMO 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399.485 3.823 50 0 GHAAMO Cc1c2ccccc2[nH]c1C[N@H+]1CCN(Cc2ccc(F)c(F)c2)[C@@H](CCO)C1 ZINC000020777380 210361101 /nfs/dbraw/zinc/36/11/01/210361101.db2.gz HTBRJECNZCTGOD-SFHVURJKSA-N 1 1 399.485 3.823 50 0 GHAAMO Cc1ccc(-c2cc(C(=O)NCCC[NH+]3CCOCC3)c3ccccc3n2)cc1 ZINC000020368486 210328817 /nfs/dbraw/zinc/32/88/17/210328817.db2.gz ZDVJVPJZKJYWLC-UHFFFAOYSA-N 1 1 389.499 3.662 50 0 GHAAMO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000019812380 210299829 /nfs/dbraw/zinc/29/98/29/210299829.db2.gz QRZOCRGUNLWBQA-OAQYLSRUSA-N 1 1 392.503 3.583 50 0 GHAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCN(C)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000019812380 210299831 /nfs/dbraw/zinc/29/98/31/210299831.db2.gz QRZOCRGUNLWBQA-OAQYLSRUSA-N 1 1 392.503 3.583 50 0 GHAAMO COc1ccc(-c2n[nH]cc2CN2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000019812380 210299825 /nfs/dbraw/zinc/29/98/25/210299825.db2.gz QRZOCRGUNLWBQA-OAQYLSRUSA-N 1 1 392.503 3.583 50 0 GHAAMO 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50 0 GHAAMO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CNCCC[NH+]1CCCCCC1 ZINC000006051589 570228875 /nfs/dbraw/zinc/22/88/75/570228875.db2.gz JZHJFEGGFAIVOW-OAQYLSRUSA-N 1 1 376.585 3.888 50 0 GHAAMO Cc1ccc(-c2noc(C3CC[NH+](CC(=O)NCc4ccccc4)CC3)n2)cc1 ZINC000049403574 570264446 /nfs/dbraw/zinc/26/44/46/570264446.db2.gz HKHFZKWDWFDQFD-UHFFFAOYSA-N 1 1 390.487 3.541 50 0 GHAAMO Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000033408289 570308239 /nfs/dbraw/zinc/30/82/39/570308239.db2.gz DTNYIIIWNKUIFW-UHFFFAOYSA-N 1 1 388.515 3.554 50 0 GHAAMO OCC[NH+]1CCN([C@H]2Cc3cc(Cl)ccc3Sc3c(F)cccc32)CC1 ZINC000022440944 570317167 /nfs/dbraw/zinc/31/71/67/570317167.db2.gz XIEVOXKEUSGXPC-SFHVURJKSA-N 1 1 392.927 3.837 50 0 GHAAMO CCCc1ccc([C@@H](C)NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022751906 570326167 /nfs/dbraw/zinc/32/61/67/570326167.db2.gz LYQYNJDZMPTSHO-HXUWFJFHSA-N 1 1 379.548 3.634 50 0 GHAAMO CCOc1ccccc1C[N@@H+]1CCN(C/C=C/c2ccc(F)cc2)C[C@@H]1CCO ZINC000022852863 570331375 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50 0 GHAAMO CCC(=O)NC[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1cccc(C)c1 ZINC000034857456 570341869 /nfs/dbraw/zinc/34/18/69/570341869.db2.gz CTQUXGZOWRTDEP-HXUWFJFHSA-N 1 1 382.504 3.638 50 0 GHAAMO CCn1nc(C(=O)NCC[C@H]2CCC[N@H+]2C)cc1-c1cccc(C(F)(F)F)c1 ZINC000034901478 570343624 /nfs/dbraw/zinc/34/36/24/570343624.db2.gz CAIUVJKCFBNNIV-MRXNPFEDSA-N 1 1 394.441 3.803 50 0 GHAAMO COc1cc(OCc2ccccc2)ccc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000004325085 570368309 /nfs/dbraw/zinc/36/83/09/570368309.db2.gz PYEUCHAWMDWBSB-UHFFFAOYSA-N 1 1 389.499 3.991 50 0 GHAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccccc1Cl)c1cc2ccccc2o1 ZINC000575622213 570371192 /nfs/dbraw/zinc/37/11/92/570371192.db2.gz XUSXGQIADIQHLE-OAHLLOKOSA-N 1 1 378.881 3.667 50 0 GHAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1csc(-c2ccsc2)n1 ZINC000023805875 570372820 /nfs/dbraw/zinc/37/28/20/570372820.db2.gz RFEZGYFNWXGPMQ-UHFFFAOYSA-N 1 1 391.562 3.637 50 0 GHAAMO Cc1ccc2oc(=O)c3cc(C(=O)NCC[N@@H+]4CCCC[C@H]4C)sc3c2c1 ZINC000004939784 570376210 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CCn1cc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@@H+]24)c(C)n1 ZINC000011951066 570595880 /nfs/dbraw/zinc/59/58/80/570595880.db2.gz GOMDAYLLNRQSTB-XJABCFGWSA-N 1 1 398.938 3.803 50 0 GHAAMO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[NH+]1CCCCC1)C[C@@H](C)CC2 ZINC000003345261 570605843 /nfs/dbraw/zinc/60/58/43/570605843.db2.gz YNLGXYAZMOHRJF-KBPBESRZSA-N 1 1 378.538 3.863 50 0 GHAAMO O=C(CC[C@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCO3)C1)N1CCCC1 ZINC000012094394 570608071 /nfs/dbraw/zinc/60/80/71/570608071.db2.gz QHTHNUYMUIYEIN-OAHLLOKOSA-N 1 1 378.900 3.683 50 0 GHAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)c1ccc2[nH]cnc2c1 ZINC000012317015 570641865 /nfs/dbraw/zinc/64/18/65/570641865.db2.gz SGIKHGXODGQXQT-GOSISDBHSA-N 1 1 394.494 3.729 50 0 GHAAMO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)/C=C/c4cccnc4)C3)C2)c1 ZINC000012320288 570642822 /nfs/dbraw/zinc/64/28/22/570642822.db2.gz XPENTEBZYUJGEU-KDLSMAQYSA-N 1 1 375.516 3.918 50 0 GHAAMO CC[NH+]1CCN([C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)CC1 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c1ccc(C(c2ccccc2)[NH+]2CCN(Cc3nc(CC4CC4)no3)CC2)cc1 ZINC000020451656 919639398 /nfs/dbraw/zinc/63/93/98/919639398.db2.gz DHZFYSQQEDXKGL-UHFFFAOYSA-N 1 1 388.515 3.929 50 0 GHAAMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N(Cc1ccccc1)C1CC1 ZINC000190841022 1020732494 /nfs/dbraw/zinc/73/24/94/1020732494.db2.gz DCCOVKYDQGRAPN-HSZRJFAPSA-N 1 1 393.531 3.652 50 0 GHAAMO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](Cc2ccc3nsnc3c2)C1 ZINC000055133186 1021751385 /nfs/dbraw/zinc/75/13/85/1021751385.db2.gz YCNKYQGKKLOHRJ-HNNXBMFYSA-N 1 1 381.457 3.515 50 0 GHAAMO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](Cc2ccc3nsnc3c2)C1 ZINC000055133186 1021751397 /nfs/dbraw/zinc/75/13/97/1021751397.db2.gz YCNKYQGKKLOHRJ-HNNXBMFYSA-N 1 1 381.457 3.515 50 0 GHAAMO OCC[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000019536743 210258688 /nfs/dbraw/zinc/25/86/88/210258688.db2.gz AHNSHLDERBSYEA-FQEVSTJZSA-N 1 1 378.438 3.774 50 0 GHAAMO O=C1C[C@H](C[N@@H+](Cc2ccncc2)Cc2ccc(O)cc2)CN1c1ccccc1 ZINC000426510623 231233286 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CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3nc(C(=O)OC)co3)CC2)C1 ZINC000096130998 211304812 /nfs/dbraw/zinc/30/48/12/211304812.db2.gz YARYBQYNCLUYOS-LJQANCHMSA-N 1 1 397.519 3.553 50 0 GHAAMO Cc1ncc(Cl)c(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C)C3)n1 ZINC000096137855 211306631 /nfs/dbraw/zinc/30/66/31/211306631.db2.gz MJTLTOGKMUQTJI-SFHVURJKSA-N 1 1 398.938 3.780 50 0 GHAAMO CN(C)c1ccc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)cn1 ZINC000095517297 211264011 /nfs/dbraw/zinc/26/40/11/211264011.db2.gz PBRKXDRQCZTEPX-GOSISDBHSA-N 1 1 398.526 3.595 50 0 GHAAMO CNc1nc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)cs1 ZINC000095523212 211269003 /nfs/dbraw/zinc/26/90/03/211269003.db2.gz XJLILJKQYDLOHH-OAHLLOKOSA-N 1 1 390.528 3.633 50 0 GHAAMO CNc1nc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)cs1 ZINC000095523212 211269007 /nfs/dbraw/zinc/26/90/07/211269007.db2.gz XJLILJKQYDLOHH-OAHLLOKOSA-N 1 1 390.528 3.633 50 0 GHAAMO COc1cc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3cc(C)no3)C2)cc(OC)c1 ZINC000095522019 211267188 /nfs/dbraw/zinc/26/71/88/211267188.db2.gz GHXYHDMVHDDLOA-INIZCTEOSA-N 1 1 387.480 3.631 50 0 GHAAMO C[N@@H+]1CCCC[C@@H]1CN1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000095512148 211263075 /nfs/dbraw/zinc/26/30/75/211263075.db2.gz CLDWYDOWWKQPCI-HXUWFJFHSA-N 1 1 389.971 3.639 50 0 GHAAMO C[N@H+]1CCCC[C@@H]1CN1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000095512148 211263079 /nfs/dbraw/zinc/26/30/79/211263079.db2.gz CLDWYDOWWKQPCI-HXUWFJFHSA-N 1 1 389.971 3.639 50 0 GHAAMO CCC(=O)N1CCc2nc[nH]c2C12CC[NH+](Cc1cc3ccccc3s1)CC2 ZINC000095500038 211253847 /nfs/dbraw/zinc/25/38/47/211253847.db2.gz APLUUUMAJWSMMY-UHFFFAOYSA-N 1 1 394.544 3.910 50 0 GHAAMO Cc1nc2ccc(C(=O)N3C[C@H]4CC[C@H](C[N@@H+]4CC4CCC4)C3)cc2nc1C ZINC000095361523 211223663 /nfs/dbraw/zinc/22/36/63/211223663.db2.gz IQCSHUKYYPIJJM-UYAOXDASSA-N 1 1 378.520 3.583 50 0 GHAAMO C/C(=C\c1ccco1)C[N@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095362571 211225838 /nfs/dbraw/zinc/22/58/38/211225838.db2.gz WIGWVMJBJNXVCY-NCICTGGASA-N 1 1 392.499 3.974 50 0 GHAAMO C/C(=C\c1ccco1)CN1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095362571 211225841 /nfs/dbraw/zinc/22/58/41/211225841.db2.gz WIGWVMJBJNXVCY-NCICTGGASA-N 1 1 392.499 3.974 50 0 GHAAMO COCCN1CCC[C@@]2(CC[N@@H+](Cc3ccc(-c4ccccc4)s3)C2)C1=O ZINC000095363349 211225375 /nfs/dbraw/zinc/22/53/75/211225375.db2.gz IXACQPBJKQUSIG-QFIPXVFZSA-N 1 1 384.545 3.876 50 0 GHAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(Cc1nc(-c3ccccc3)cs1)CC2 ZINC000091694317 211204178 /nfs/dbraw/zinc/20/41/78/211204178.db2.gz LGVKULWEKGAMIO-UHFFFAOYSA-N 1 1 379.533 3.512 50 0 GHAAMO O=C1CCC2(CC[NH+](Cc3ccc(Cl)s3)CC2)CN1CCc1cnc[nH]1 ZINC000091656544 211201470 /nfs/dbraw/zinc/20/14/70/211201470.db2.gz UQQKZNQCSXUISQ-UHFFFAOYSA-N 1 1 392.956 3.572 50 0 GHAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000091505864 211194278 /nfs/dbraw/zinc/19/42/78/211194278.db2.gz HTAARILHAGTHFF-SFHVURJKSA-N 1 1 381.455 3.806 50 0 GHAAMO COCCCn1ccc(NC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)n1 ZINC000078975266 211150614 /nfs/dbraw/zinc/15/06/14/211150614.db2.gz JLHXSBCXSMNUMB-UHFFFAOYSA-N 1 1 396.495 3.932 50 0 GHAAMO CCC[C@@H](C)N1CC2(CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)OC1=O ZINC000077287602 211129503 /nfs/dbraw/zinc/12/95/03/211129503.db2.gz VLDWMVUSKYJOJS-MRXNPFEDSA-N 1 1 384.480 3.712 50 0 GHAAMO COc1ccc(-c2nn(-c3ccccc3)cc2CN2CC[N@@H+](C)[C@H](C)C2)c(F)c1 ZINC000072473447 211123352 /nfs/dbraw/zinc/12/33/52/211123352.db2.gz BAPOPYXMEPDJEL-QGZVFWFLSA-N 1 1 394.494 3.823 50 0 GHAAMO Cc1ccc(C)c(-n2cc(C[N@@H+]3CCC(=O)NC[C@@H]3C)c(-c3ccccc3)n2)c1 ZINC000072440226 211119879 /nfs/dbraw/zinc/11/98/79/211119879.db2.gz XEBJKJIKKWJRGK-IBGZPJMESA-N 1 1 388.515 3.867 50 0 GHAAMO Cc1ccccc1-c1nc2cc3c(cc2cc1C[NH+]1CCN(C)CC1)OCO3 ZINC000072432330 211118439 /nfs/dbraw/zinc/11/84/39/211118439.db2.gz MJSKSHSPOUCZSZ-UHFFFAOYSA-N 1 1 375.472 3.686 50 0 GHAAMO Cc1cc(C)n(-c2ccc(C(=O)N3CC[N@H+](C)CC34CCCCC4)cc2F)n1 ZINC000072306722 211087225 /nfs/dbraw/zinc/08/72/25/211087225.db2.gz PAYKLWAVWFAXTQ-UHFFFAOYSA-N 1 1 384.499 3.719 50 0 GHAAMO Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)c(O)c1 ZINC000072168964 211080251 /nfs/dbraw/zinc/08/02/51/211080251.db2.gz CLMZWRVDTAPOEU-DEOSSOPVSA-N 1 1 378.516 3.871 50 0 GHAAMO CN(Cc1cccnc1)C(=O)C1([N@@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000072157534 211078411 /nfs/dbraw/zinc/07/84/11/211078411.db2.gz MCRMZQBLZSKCCE-UHFFFAOYSA-N 1 1 385.511 3.710 50 0 GHAAMO CCCn1ccnc1C[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071763794 211060999 /nfs/dbraw/zinc/06/09/99/211060999.db2.gz ZORWYMITLYIHPL-HXUWFJFHSA-N 1 1 386.515 3.691 50 0 GHAAMO CCCn1ccnc1C[N@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071763794 211061003 /nfs/dbraw/zinc/06/10/03/211061003.db2.gz ZORWYMITLYIHPL-HXUWFJFHSA-N 1 1 386.515 3.691 50 0 GHAAMO COc1c(C)cc(C(=O)[C@@H]2CCC[N@@H+](Cc3[nH]cc(C)c(=O)c3C)C2)cc1C ZINC000071760871 211058045 /nfs/dbraw/zinc/05/80/45/211058045.db2.gz AFTSPVBICPEPCW-GOSISDBHSA-N 1 1 382.504 3.712 50 0 GHAAMO CC(C)[C@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071439370 211048695 /nfs/dbraw/zinc/04/86/95/211048695.db2.gz GWVZFJCYSULCFS-OAQYLSRUSA-N 1 1 384.499 3.799 50 0 GHAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(O)(Cn2ccnc2)CC1 ZINC000071403964 211046882 /nfs/dbraw/zinc/04/68/82/211046882.db2.gz CAFGGMZAKPEXCY-UHFFFAOYSA-N 1 1 386.883 3.527 50 0 GHAAMO CC(C)[C@@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CCC[N@H+]1CC1CC1 ZINC000071614897 211051124 /nfs/dbraw/zinc/05/11/24/211051124.db2.gz KYIBDHMBXYWTIX-NRFANRHFSA-N 1 1 384.499 3.798 50 0 GHAAMO CC(C)[C@@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CCC[N@@H+]1CC1CC1 ZINC000071614897 211051126 /nfs/dbraw/zinc/05/11/26/211051126.db2.gz KYIBDHMBXYWTIX-NRFANRHFSA-N 1 1 384.499 3.798 50 0 GHAAMO CC(C)[C@@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CCC[N@H+]1CC1CC1 ZINC000071614897 211051128 /nfs/dbraw/zinc/05/11/28/211051128.db2.gz KYIBDHMBXYWTIX-NRFANRHFSA-N 1 1 384.499 3.798 50 0 GHAAMO CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000069597252 211038856 /nfs/dbraw/zinc/03/88/56/211038856.db2.gz XLGMAKFXAOFTML-AZUAARDMSA-N 1 1 380.536 3.621 50 0 GHAAMO CC(C)c1ccc(CN2CCC[C@](O)(C[N@@H+](C)Cc3ccsc3)C2=O)cc1 ZINC000067881540 211026559 /nfs/dbraw/zinc/02/65/59/211026559.db2.gz PPEVKZHMJFYDEV-QFIPXVFZSA-N 1 1 386.561 3.857 50 0 GHAAMO Cc1c[nH+]c(N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)nc1N ZINC000067850722 211024985 /nfs/dbraw/zinc/02/49/85/211024985.db2.gz DZYCFUZHIBLICW-UHFFFAOYSA-N 1 1 382.851 3.792 50 0 GHAAMO C[C@H](c1ccncn1)[N@H+](C)Cc1cccc(C(=O)Nc2ccc3n[nH]cc3c2)c1 ZINC000067695750 211018083 /nfs/dbraw/zinc/01/80/83/211018083.db2.gz XTRYAMYCTYSZQO-OAHLLOKOSA-N 1 1 386.459 3.798 50 0 GHAAMO C[C@H](c1ccncn1)[N@@H+](C)Cc1cccc(C(=O)Nc2ccc3n[nH]cc3c2)c1 ZINC000067695750 211018085 /nfs/dbraw/zinc/01/80/85/211018085.db2.gz XTRYAMYCTYSZQO-OAHLLOKOSA-N 1 1 386.459 3.798 50 0 GHAAMO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1ccco1 ZINC000021309204 210379300 /nfs/dbraw/zinc/37/93/00/210379300.db2.gz LPFLEVTVOBMQPO-NRFANRHFSA-N 1 1 386.455 3.923 50 0 GHAAMO OCC[C@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[N@H+]1C1CCCC1 ZINC000020994933 210372748 /nfs/dbraw/zinc/37/27/48/210372748.db2.gz BYLUDKJSZCVCPD-FQEVSTJZSA-N 1 1 388.943 3.541 50 0 GHAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+]2CC[C@@H](O)C2)cc1F ZINC000012023790 210359196 /nfs/dbraw/zinc/35/91/96/210359196.db2.gz HIHVFPGWJCSNCF-GOSISDBHSA-N 1 1 381.451 3.562 50 0 GHAAMO COc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccco1)Cc1cccc(F)c1 ZINC000020720291 210358118 /nfs/dbraw/zinc/35/81/18/210358118.db2.gz YRQRPAZVPWHWIZ-LJQANCHMSA-N 1 1 385.435 3.869 50 0 GHAAMO COc1ccccc1OC[C@H](O)C[N@H+](Cc1ccco1)Cc1cccc(F)c1 ZINC000020720291 210358116 /nfs/dbraw/zinc/35/81/16/210358116.db2.gz YRQRPAZVPWHWIZ-LJQANCHMSA-N 1 1 385.435 3.869 50 0 GHAAMO CCCn1ncc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)c1C ZINC000020540914 210346974 /nfs/dbraw/zinc/34/69/74/210346974.db2.gz MLSSBZGGQDKQLM-QHCPKHFHSA-N 1 1 395.595 3.697 50 0 GHAAMO CCCn1ncc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)c1C ZINC000020540914 210346978 /nfs/dbraw/zinc/34/69/78/210346978.db2.gz MLSSBZGGQDKQLM-QHCPKHFHSA-N 1 1 395.595 3.697 50 0 GHAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2nn(C)c3c2CSc2ccccc2-3)C1 ZINC000020485022 210339255 /nfs/dbraw/zinc/33/92/55/210339255.db2.gz CQIXYPPFRHOWGX-IYBDPMFKSA-N 1 1 398.576 3.791 50 0 GHAAMO CC[C@@H](C)NC(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000020453906 210336913 /nfs/dbraw/zinc/33/69/13/210336913.db2.gz VVINXJAGIIWNGA-HXUWFJFHSA-N 1 1 385.596 3.710 50 0 GHAAMO Cc1ccc(C(C)C)c(OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000019902258 210306887 /nfs/dbraw/zinc/30/68/87/210306887.db2.gz IVACQVBOPXYRDC-UHFFFAOYSA-N 1 1 388.552 3.649 50 0 GHAAMO CCN1C[C@H](C[N@@H+](C)Cc2ccc(C(=O)N3CCCC3)cc2)Oc2ccccc21 ZINC000069897090 136165181 /nfs/dbraw/zinc/16/51/81/136165181.db2.gz JDAPRSSTLIRSBH-NRFANRHFSA-N 1 1 393.531 3.642 50 0 GHAAMO CCc1noc([C@H](C)[NH2+]C2CCN(c3ncnc4sc(C)c(C)c43)CC2)n1 ZINC000095503276 136179997 /nfs/dbraw/zinc/17/99/97/136179997.db2.gz WYPGCVXJPRRJPG-LBPRGKRZSA-N 1 1 386.525 3.573 50 0 GHAAMO c1cn(Cc2cccnc2)c(C2CCN(c3ncnc4ccsc43)CC2)[nH+]1 ZINC000095521193 136181112 /nfs/dbraw/zinc/18/11/12/136181112.db2.gz LZIDMICIIRRCOI-UHFFFAOYSA-N 1 1 376.489 3.715 50 0 GHAAMO CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(C(F)(F)F)n3)cc2F)CC1 ZINC000097000659 136187944 /nfs/dbraw/zinc/18/79/44/136187944.db2.gz YCJHTLNBPKISBL-UHFFFAOYSA-N 1 1 396.388 3.634 50 0 GHAAMO CCn1nccc1NC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000067588952 222150077 /nfs/dbraw/zinc/15/00/77/222150077.db2.gz YJITWZKBUXLWLL-HXUWFJFHSA-N 1 1 375.476 3.887 50 0 GHAAMO Nc1cncc(-c2ccc(C(=O)N3CCC[N@H+](C4CCCCC4)CC3)cc2)c1 ZINC000426589837 534744592 /nfs/dbraw/zinc/74/45/92/534744592.db2.gz WHLJJFLZVMZAHV-UHFFFAOYSA-N 1 1 378.520 3.811 50 0 GHAAMO CCCc1cnc(C)nc1N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095519217 535437305 /nfs/dbraw/zinc/43/73/05/535437305.db2.gz TVGHKKSSGXZISO-IBGZPJMESA-N 1 1 376.508 3.761 50 0 GHAAMO CCC(=O)Nc1ccc(C)c(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000048257176 570224005 /nfs/dbraw/zinc/22/40/05/570224005.db2.gz JSFBSZKXVLGGLI-LJQANCHMSA-N 1 1 380.492 3.740 50 0 GHAAMO O=C(NCc1ncc[nH]1)c1ccc([C@H]2CCC[N@H+]2CCc2ccccc2)s1 ZINC000020149310 570244196 /nfs/dbraw/zinc/24/41/96/570244196.db2.gz KOFPTQWDZWTHIR-QGZVFWFLSA-N 1 1 380.517 3.781 50 0 GHAAMO Cc1ccccc1C[N@H+]1CCN(Cc2cccc3cccnc32)C[C@H]1CCO ZINC000104447522 570258399 /nfs/dbraw/zinc/25/83/99/570258399.db2.gz JODNAOIPAJJUON-HSZRJFAPSA-N 1 1 375.516 3.612 50 0 GHAAMO Cc1ccccc1CN1CC[N@@H+](Cc2cccc3cccnc32)C[C@H]1CCO ZINC000104447522 570258403 /nfs/dbraw/zinc/25/84/03/570258403.db2.gz JODNAOIPAJJUON-HSZRJFAPSA-N 1 1 375.516 3.612 50 0 GHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(F)cc1Cl ZINC000012873943 570274407 /nfs/dbraw/zinc/27/44/07/570274407.db2.gz NCKYBNHCZMPZGZ-ZDUSSCGKSA-N 1 1 387.846 3.691 50 0 GHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(F)cc1Cl ZINC000012873943 570274409 /nfs/dbraw/zinc/27/44/09/570274409.db2.gz NCKYBNHCZMPZGZ-ZDUSSCGKSA-N 1 1 387.846 3.691 50 0 GHAAMO Cc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c(C)c1 ZINC000012284752 570281761 /nfs/dbraw/zinc/28/17/61/570281761.db2.gz INTTURBYVKMSMI-NRFANRHFSA-N 1 1 393.531 3.613 50 0 GHAAMO CSc1ccc(C[N@@H+](C)[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000021923102 570299267 /nfs/dbraw/zinc/29/92/67/570299267.db2.gz XLKXUHORGSSXMZ-LJQANCHMSA-N 1 1 397.588 3.573 50 0 GHAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccoc3)CC2)nc1)c1ccccc1F ZINC000034681730 570299757 /nfs/dbraw/zinc/29/97/57/570299757.db2.gz HDHHMQVHYOODPZ-UHFFFAOYSA-N 1 1 394.450 3.778 50 0 GHAAMO CCCc1ccc([C@H](C)NC(=O)CN2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000022751898 570326173 /nfs/dbraw/zinc/32/61/73/570326173.db2.gz ZHXLPPGGTQDDKS-NRFANRHFSA-N 1 1 393.575 3.943 50 0 GHAAMO Cc1ccc([C@H](CNC(=O)c2oc3cc(C)ccc3c2C)N2CC[NH+](C)CC2)o1 ZINC000022938401 570338588 /nfs/dbraw/zinc/33/85/88/570338588.db2.gz INHSYRACIYVUQC-IBGZPJMESA-N 1 1 395.503 3.670 50 0 GHAAMO CCOc1ccccc1C[NH+]1CCC(N2CCN(c3ccccc3)CC2)CC1 ZINC000004109106 570357585 /nfs/dbraw/zinc/35/75/85/570357585.db2.gz PTONOIKSMRMNOZ-UHFFFAOYSA-N 1 1 379.548 3.872 50 0 GHAAMO COc1cc(C)c(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)cc1C ZINC000023373715 570357905 /nfs/dbraw/zinc/35/79/05/570357905.db2.gz CXRANQXOAXZKCN-QFIPXVFZSA-N 1 1 386.511 3.520 50 0 GHAAMO Cc1[nH+]ccn1[C@@H](C)C(=O)N1CCc2[nH]nc(-c3cccc4ccccc43)c2C1 ZINC000023478770 570363678 /nfs/dbraw/zinc/36/36/78/570363678.db2.gz NZIGHKOZSRWZLI-HNNXBMFYSA-N 1 1 385.471 3.881 50 0 GHAAMO CNC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2ccc(-c3csnn3)cc2)s1 ZINC000023581880 570366304 /nfs/dbraw/zinc/36/63/04/570366304.db2.gz KFGDNVRWTKEMGU-MRXNPFEDSA-N 1 1 384.530 3.963 50 0 GHAAMO OCC[NH+]1CCN([C@H]2Cc3cc(Cl)ccc3Sc3sccc32)CC1 ZINC000022860608 570378504 /nfs/dbraw/zinc/37/85/04/570378504.db2.gz GWZYCFFLVFLIDD-INIZCTEOSA-N 1 1 380.966 3.760 50 0 GHAAMO Cc1ccc2c(c1)-c1c(c(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)nn1C)CS2 ZINC000035534852 570390273 /nfs/dbraw/zinc/39/02/73/570390273.db2.gz VEPYXVYTLOJFDP-MRXNPFEDSA-N 1 1 398.576 3.853 50 0 GHAAMO COc1cc(C[NH+]2CCN(c3ccccn3)CC2)ccc1OCc1ccccc1 ZINC000004833944 570409770 /nfs/dbraw/zinc/40/97/70/570409770.db2.gz KANRHWJDYZQOGR-UHFFFAOYSA-N 1 1 389.499 3.991 50 0 GHAAMO C[N@@H+](C[C@H](O)COc1c(F)cc(Br)cc1F)C1CCCCC1 ZINC000004834223 570409796 /nfs/dbraw/zinc/40/97/96/570409796.db2.gz CUSZZXRZZBVJHL-ZDUSSCGKSA-N 1 1 378.257 3.732 50 0 GHAAMO CC(=O)CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000025308558 570410771 /nfs/dbraw/zinc/41/07/71/570410771.db2.gz ORFXYXDFNCJWSI-FYYLOGMGSA-N 1 1 385.479 3.924 50 0 GHAAMO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000242178801 570432130 /nfs/dbraw/zinc/43/21/30/570432130.db2.gz XAZFQMIBQPIPPL-KXBFYZLASA-N 1 1 384.451 3.611 50 0 GHAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000242178801 570432133 /nfs/dbraw/zinc/43/21/33/570432133.db2.gz XAZFQMIBQPIPPL-KXBFYZLASA-N 1 1 384.451 3.611 50 0 GHAAMO CC[NH+]1CCN(C(=O)c2c(C)oc3c2cc(OC(C)=O)c2ccccc32)CC1 ZINC000054106056 570441493 /nfs/dbraw/zinc/44/14/93/570441493.db2.gz LNRYKDIWOXHNGI-UHFFFAOYSA-N 1 1 380.444 3.597 50 0 GHAAMO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[NH+]1CCC(Cn2ccnn2)CC1 ZINC000156153870 570455536 /nfs/dbraw/zinc/45/55/36/570455536.db2.gz ZGQRVJYNTUBAQJ-NRFANRHFSA-N 1 1 393.466 3.509 50 0 GHAAMO O=C(COc1ccc(Cl)c(Cl)c1)NCC[N@H+]1CCc2ccccc2C1 ZINC000029957921 570483305 /nfs/dbraw/zinc/48/33/05/570483305.db2.gz KMMOCIKOVQTJBC-UHFFFAOYSA-N 1 1 379.287 3.547 50 0 GHAAMO C[C@@H]1C[C@H](OC[C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)CC(C)(C)C1 ZINC000033335854 570525502 /nfs/dbraw/zinc/52/55/02/570525502.db2.gz GFQKJOYOOVSYKW-QRVBRYPASA-N 1 1 378.532 3.540 50 0 GHAAMO CC[C@@H](C)[N@H+](Cc1cc(OC)cc(OC)c1)C[C@H](O)COCc1ccccc1 ZINC000036095084 570534316 /nfs/dbraw/zinc/53/43/16/570534316.db2.gz COKNMSMXURZPFI-NQIIRXRSSA-N 1 1 387.520 3.882 50 0 GHAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(C)c1 ZINC000036095335 570534328 /nfs/dbraw/zinc/53/43/28/570534328.db2.gz OTMMFWFJXGFZFF-NRFANRHFSA-N 1 1 385.504 3.710 50 0 GHAAMO O=C(NCc1ccccc1Br)C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC000064817967 570553106 /nfs/dbraw/zinc/55/31/06/570553106.db2.gz SWWSTZZLHXHGLA-UHFFFAOYSA-N 1 1 385.305 3.898 50 0 GHAAMO Cc1cc(=O)n2c(n1)NC(NCc1ccc(Cl)cc1)=[NH+][C@@H]2[C@H]1CC=CCC1 ZINC000009698399 570560763 /nfs/dbraw/zinc/56/07/63/570560763.db2.gz QPTNASMQKBVINM-YJBOKZPZSA-N 1 1 383.883 3.631 50 0 GHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CC1CCN(C(=O)C2CCCCC2)CC1 ZINC000032974381 570562143 /nfs/dbraw/zinc/56/21/43/570562143.db2.gz SHARFXAYDRTGPR-LJQANCHMSA-N 1 1 391.600 3.576 50 0 GHAAMO CN(Cc1ccccn1)Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011668014 570579464 /nfs/dbraw/zinc/57/94/64/570579464.db2.gz ARYAXZHRYPXLKK-HSZRJFAPSA-N 1 1 397.563 3.718 50 0 GHAAMO O=C1N(c2ccccc2)C[C@@H]2C[C@@H](c3cnc(N4CCCC4)s3)[N@H+]3CCC[C@@]123 ZINC000011818061 570585004 /nfs/dbraw/zinc/58/50/04/570585004.db2.gz LMLXBFHERBETDC-ZJBJCVSYSA-N 1 1 394.544 3.686 50 0 GHAAMO COc1ccc2[nH]c(CN3CC[N@H+](Cc4ccsc4)[C@H](CCO)C3)c(C)c2c1 ZINC000039500600 570592836 /nfs/dbraw/zinc/59/28/36/570592836.db2.gz BNZIGALBYNCOOE-GOSISDBHSA-N 1 1 399.560 3.615 50 0 GHAAMO COc1ccc2[nH]c(CN3CC[N@@H+](Cc4ccsc4)[C@H](CCO)C3)c(C)c2c1 ZINC000039500600 570592838 /nfs/dbraw/zinc/59/28/38/570592838.db2.gz BNZIGALBYNCOOE-GOSISDBHSA-N 1 1 399.560 3.615 50 0 GHAAMO COc1ccc2[nH]c(C[N@@H+]3CCN(Cc4ccsc4)[C@H](CCO)C3)c(C)c2c1 ZINC000039500600 570592841 /nfs/dbraw/zinc/59/28/41/570592841.db2.gz BNZIGALBYNCOOE-GOSISDBHSA-N 1 1 399.560 3.615 50 0 GHAAMO COc1ccc2[nH]c(C[N@H+]3CCN(Cc4ccsc4)[C@H](CCO)C3)c(C)c2c1 ZINC000039500600 570592845 /nfs/dbraw/zinc/59/28/45/570592845.db2.gz BNZIGALBYNCOOE-GOSISDBHSA-N 1 1 399.560 3.615 50 0 GHAAMO COc1cc(C[N@@H+](C)C[C@@H]2CCCN(CCc3ccccc3F)C2)ccc1O ZINC000012005201 570598297 /nfs/dbraw/zinc/59/82/97/570598297.db2.gz CTGLXJQZZPXNDN-IBGZPJMESA-N 1 1 386.511 3.926 50 0 GHAAMO COc1cc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)ccc1O ZINC000012005201 570598298 /nfs/dbraw/zinc/59/82/98/570598298.db2.gz CTGLXJQZZPXNDN-IBGZPJMESA-N 1 1 386.511 3.926 50 0 GHAAMO COc1cc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3F)C2)ccc1O ZINC000012005201 570598299 /nfs/dbraw/zinc/59/82/99/570598299.db2.gz CTGLXJQZZPXNDN-IBGZPJMESA-N 1 1 386.511 3.926 50 0 GHAAMO COc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccs3)C2)c(Cl)cc1O ZINC000012202882 570625081 /nfs/dbraw/zinc/62/50/81/570625081.db2.gz ISMYZSJANCBWED-ZDUSSCGKSA-N 1 1 394.924 3.758 50 0 GHAAMO COc1cc(C[N@H+]2CCC[C@@H](CNC(=O)c3cccs3)C2)c(Cl)cc1O ZINC000012202882 570625083 /nfs/dbraw/zinc/62/50/83/570625083.db2.gz ISMYZSJANCBWED-ZDUSSCGKSA-N 1 1 394.924 3.758 50 0 GHAAMO COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000036341158 570625363 /nfs/dbraw/zinc/62/53/63/570625363.db2.gz MDIKBHRBIOCIJA-QFIPXVFZSA-N 1 1 395.478 3.998 50 0 GHAAMO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C(=O)c3cccnc3)C2)c(F)c1 ZINC000012204545 570625626 /nfs/dbraw/zinc/62/56/26/570625626.db2.gz KNHIFMIIGMBUDH-INIZCTEOSA-N 1 1 394.450 3.714 50 0 GHAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C(=O)c3cccnc3)C2)c(F)c1 ZINC000012204545 570625627 /nfs/dbraw/zinc/62/56/27/570625627.db2.gz KNHIFMIIGMBUDH-INIZCTEOSA-N 1 1 394.450 3.714 50 0 GHAAMO COc1cccc(C[C@]2(CO)CCC[N@@H+](Cc3cccn3-c3ccccn3)C2)c1 ZINC000012304609 570638239 /nfs/dbraw/zinc/63/82/39/570638239.db2.gz XSAHHEDURPDPTR-XMMPIXPASA-N 1 1 391.515 3.698 50 0 GHAAMO Cc1cccc(N2CCN(C(=O)Nc3ccc(N4CCCC4)c(F)c3)[C@@H](C)C2)[nH+]1 ZINC000072313604 570651906 /nfs/dbraw/zinc/65/19/06/570651906.db2.gz UZKVPVPEPSNOAG-KRWDZBQOSA-N 1 1 397.498 3.872 50 0 GHAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(OCCO)c2)C1 ZINC000012468466 570672213 /nfs/dbraw/zinc/67/22/13/570672213.db2.gz SAYQGUHVHRDFGY-SFHVURJKSA-N 1 1 385.529 3.875 50 0 GHAAMO COc1cc(OC)c(OC)cc1CN1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000054991797 570679240 /nfs/dbraw/zinc/67/92/40/570679240.db2.gz JHYQPAYFFOZHQR-UHFFFAOYSA-N 1 1 384.520 3.809 50 0 GHAAMO CC(C)Cc1cn(C2CC[NH+](Cc3cc4c(cc3Cl)OCO4)CC2)nn1 ZINC000055037154 570679678 /nfs/dbraw/zinc/67/96/78/570679678.db2.gz HDGKRNIMLAQQKB-UHFFFAOYSA-N 1 1 376.888 3.696 50 0 GHAAMO N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2)[C@@H]2C[N@H+](Cc3ccccc3)CC=C12 ZINC000003091053 570680288 /nfs/dbraw/zinc/68/02/88/570680288.db2.gz QOWYBPOPEWEFLR-DHIUTWEWSA-N 1 1 391.478 3.612 50 0 GHAAMO COCc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccccc3F)C2)o1 ZINC000012571831 570681442 /nfs/dbraw/zinc/68/14/42/570681442.db2.gz TXLUAFDWOZTACH-QGZVFWFLSA-N 1 1 388.483 3.592 50 0 GHAAMO Cc1c(NC(=O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cccc1C(=O)Nc1nccs1 ZINC000055340991 570691722 /nfs/dbraw/zinc/69/17/22/570691722.db2.gz YORFOKJOBQQQFH-OKILXGFUSA-N 1 1 386.521 3.905 50 0 GHAAMO COC[C@@H](O)C[N@@H+](Cc1cccn1Cc1cccc(F)c1)Cc1ccccc1 ZINC000004355751 570694520 /nfs/dbraw/zinc/69/45/20/570694520.db2.gz LEYMIUCLCSPLKZ-QHCPKHFHSA-N 1 1 382.479 3.685 50 0 GHAAMO O=C(NC(C1CC1)C1CC1)[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000012711331 570702648 /nfs/dbraw/zinc/70/26/48/570702648.db2.gz ARCRLOOGBIWSQI-QFIPXVFZSA-N 1 1 395.591 3.668 50 0 GHAAMO COc1cccc(CCC(=O)N(C)[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c1 ZINC000012712865 570703263 /nfs/dbraw/zinc/70/32/63/570703263.db2.gz GPJOKKJLYUTGFZ-JOCHJYFZSA-N 1 1 392.543 3.718 50 0 GHAAMO C[N@H+](CCC(=O)Nc1ccccc1F)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012743713 570707503 /nfs/dbraw/zinc/70/75/03/570707503.db2.gz FNMCKSAIFONETJ-UHFFFAOYSA-N 1 1 397.372 3.744 50 0 GHAAMO C[N@@H+](CCC(=O)Nc1ccccc1F)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012743713 570707506 /nfs/dbraw/zinc/70/75/06/570707506.db2.gz FNMCKSAIFONETJ-UHFFFAOYSA-N 1 1 397.372 3.744 50 0 GHAAMO O=C(c1ncoc1C1CC1)N1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000012746101 570708662 /nfs/dbraw/zinc/70/86/62/570708662.db2.gz GDGJPVQZEPNACY-HSZRJFAPSA-N 1 1 379.504 3.723 50 0 GHAAMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1CN1CCOCC1 ZINC000064984437 570757266 /nfs/dbraw/zinc/75/72/66/570757266.db2.gz WBVNFKUPGQMYSR-OAQYLSRUSA-N 1 1 399.535 3.976 50 0 GHAAMO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 ZINC000032754416 570797305 /nfs/dbraw/zinc/79/73/05/570797305.db2.gz WQLFBDBVCFWRJR-OAQYLSRUSA-N 1 1 377.488 3.663 50 0 GHAAMO CC[C@H](c1nnc(Sc2cc(C)nc(C)n2)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000032769897 570804063 /nfs/dbraw/zinc/80/40/63/570804063.db2.gz JVTKNJFKUBRBGX-QGZVFWFLSA-N 1 1 398.536 3.847 50 0 GHAAMO C[N@@H+](Cc1ccccc1)Cc1c([O-])c(C[NH+]2CCc3ccccc3C2)coc1=O ZINC000101410523 570822239 /nfs/dbraw/zinc/82/22/39/570822239.db2.gz AENXYOISDNSNGS-UHFFFAOYSA-N 1 1 390.483 3.536 50 0 GHAAMO C[NH+](Cc1ccccc1)Cc1c([O-])c(C[N@@H+]2CCc3ccccc3C2)coc1=O ZINC000101410523 570822242 /nfs/dbraw/zinc/82/22/42/570822242.db2.gz AENXYOISDNSNGS-UHFFFAOYSA-N 1 1 390.483 3.536 50 0 GHAAMO C[NH+](Cc1ccccc1)Cc1c([O-])c(C[N@H+]2CCc3ccccc3C2)coc1=O ZINC000101410523 570822245 /nfs/dbraw/zinc/82/22/45/570822245.db2.gz AENXYOISDNSNGS-UHFFFAOYSA-N 1 1 390.483 3.536 50 0 GHAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000101413869 570822396 /nfs/dbraw/zinc/82/23/96/570822396.db2.gz LRGXBACMFBZHTC-CZUORRHYSA-N 1 1 380.414 3.576 50 0 GHAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3ccco3)C2)cc1 ZINC000007446710 570844336 /nfs/dbraw/zinc/84/43/36/570844336.db2.gz MEFKOZLHRROKAL-FQEVSTJZSA-N 1 1 381.476 3.698 50 0 GHAAMO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](C)c2ccccc2Br)c1 ZINC000012591279 570883544 /nfs/dbraw/zinc/88/35/44/570883544.db2.gz DBWBTDWPUIJGDT-GFCCVEGCSA-N 1 1 393.281 3.756 50 0 GHAAMO O[C@H](COc1cccc(CNCc2ccccc2F)c1)C[NH+]1CCCCCC1 ZINC000012596709 570884984 /nfs/dbraw/zinc/88/49/84/570884984.db2.gz CWHPBJRXLUNZHC-NRFANRHFSA-N 1 1 386.511 3.731 50 0 GHAAMO O[C@@H](COc1cccc(CNCc2ccccc2F)c1)C[NH+]1CCCCCC1 ZINC000012596704 570885025 /nfs/dbraw/zinc/88/50/25/570885025.db2.gz CWHPBJRXLUNZHC-OAQYLSRUSA-N 1 1 386.511 3.731 50 0 GHAAMO Cc1nn(CN2CC[N@H+](C)C[C@H]2c2ccccc2)c(=S)n1Cc1ccccc1 ZINC000106082635 570948025 /nfs/dbraw/zinc/94/80/25/570948025.db2.gz VBTJRHDCIVYWIK-NRFANRHFSA-N 1 1 393.560 3.717 50 0 GHAAMO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2ccc(S(=O)(=O)N(C)C)o2)cc1 ZINC000047331359 570953584 /nfs/dbraw/zinc/95/35/84/570953584.db2.gz MQTXQRPCVKIDAJ-LJQANCHMSA-N 1 1 392.521 3.656 50 0 GHAAMO COc1ccc([C@H]2CCCCC[N@H+]2Cc2ccc(S(=O)(=O)N(C)C)o2)cc1 ZINC000047331359 570953586 /nfs/dbraw/zinc/95/35/86/570953586.db2.gz MQTXQRPCVKIDAJ-LJQANCHMSA-N 1 1 392.521 3.656 50 0 GHAAMO CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000047539610 570964049 /nfs/dbraw/zinc/96/40/49/570964049.db2.gz NXRMRGMPZOVBJA-OAHLLOKOSA-N 1 1 375.513 3.565 50 0 GHAAMO Cc1ccc(C)c(CS(=O)(=O)N2CCC(C[N@@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC000033312367 570971576 /nfs/dbraw/zinc/97/15/76/570971576.db2.gz DVOGGIRVZPQFJC-GOSISDBHSA-N 1 1 378.582 3.577 50 0 GHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](NC(=O)C1CCC(C)CC1)C(C)C ZINC000004778475 570985635 /nfs/dbraw/zinc/98/56/35/570985635.db2.gz OIXIWDZSEKCHAH-TZWRJOPASA-N 1 1 393.616 3.724 50 0 GHAAMO C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000109036286 570995165 /nfs/dbraw/zinc/99/51/65/570995165.db2.gz PVPLCQFSDIZFKO-HOTGVXAUSA-N 1 1 385.533 3.880 50 0 GHAAMO CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000012785957 571038854 /nfs/dbraw/zinc/03/88/54/571038854.db2.gz POKBRWPJRQRDNJ-OFNKIYASSA-N 1 1 393.531 3.851 50 0 GHAAMO Cc1ccnc(Oc2ccc(NC(=O)[C@H](C)[N@@H+]3CCc4ccccc4C3)cc2)n1 ZINC000177331783 836346026 /nfs/dbraw/zinc/34/60/26/836346026.db2.gz SAHVENXPNHHDGP-KRWDZBQOSA-N 1 1 388.471 3.963 50 0 GHAAMO Cc1ccnc(Oc2ccc(NC(=O)[C@H](C)[N@H+]3CCc4ccccc4C3)cc2)n1 ZINC000177331783 836346038 /nfs/dbraw/zinc/34/60/38/836346038.db2.gz SAHVENXPNHHDGP-KRWDZBQOSA-N 1 1 388.471 3.963 50 0 GHAAMO Cc1cc(N2CCC(NC(=O)[C@@H](C)c3cc4ccccc4o3)CC2)nc(C)[nH+]1 ZINC000178180617 836544310 /nfs/dbraw/zinc/54/43/10/836544310.db2.gz GDZRSPJKEBAQSC-HNNXBMFYSA-N 1 1 378.476 3.728 50 0 GHAAMO Cc1ccccc1CNC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](C[N@@H+]1C)[C@@H]23 ZINC000257187915 838880585 /nfs/dbraw/zinc/88/05/85/838880585.db2.gz MEYWABSUMVUDMV-NXYDZRKXSA-N 1 1 383.580 3.586 50 0 GHAAMO Cc1nnc([C@@H]2CC3(C[N@@H+]2CC(C)C)CCN(C(=O)c2ccccc2)CC3)o1 ZINC000257189206 838942084 /nfs/dbraw/zinc/94/20/84/838942084.db2.gz HRFSJVIOOIWETE-IBGZPJMESA-N 1 1 382.508 3.703 50 0 GHAAMO C(Cc1noc([C@@H]2CCC[N@@H+](CC3CCCCC3)C2)n1)OCC1CCOCC1 ZINC000257191397 838955284 /nfs/dbraw/zinc/95/52/84/838955284.db2.gz QFEFAJJKKZWRGQ-HXUWFJFHSA-N 1 1 391.556 3.815 50 0 GHAAMO Cc1nnc([C@@H]2CC[N@@H+](CC3CCCCC3)CCN2C(=O)Cc2ccccc2)[nH]1 ZINC000675013233 840869065 /nfs/dbraw/zinc/86/90/65/840869065.db2.gz APCYNXLHBVRFKP-NRFANRHFSA-N 1 1 395.551 3.512 50 0 GHAAMO Cc1nc([C@@H]2CC[N@H+](CC3CCCCC3)CCN2C(=O)Cc2ccccc2)n[nH]1 ZINC000675013233 840869074 /nfs/dbraw/zinc/86/90/74/840869074.db2.gz APCYNXLHBVRFKP-NRFANRHFSA-N 1 1 395.551 3.512 50 0 GHAAMO Cc1nc([C@@H]2CC[N@@H+](CC3CCCCC3)CCN2C(=O)Cc2ccccc2)n[nH]1 ZINC000675013233 840869079 /nfs/dbraw/zinc/86/90/79/840869079.db2.gz APCYNXLHBVRFKP-NRFANRHFSA-N 1 1 395.551 3.512 50 0 GHAAMO Cc1nc(-n2cccc2)sc1C(=O)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225687217 861249336 /nfs/dbraw/zinc/24/93/36/861249336.db2.gz HJUYKKFFTCXKSM-LJQANCHMSA-N 1 1 392.528 3.515 50 0 GHAAMO Cc1nc(-n2cccc2)sc1C(=O)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225687217 861249354 /nfs/dbraw/zinc/24/93/54/861249354.db2.gz HJUYKKFFTCXKSM-LJQANCHMSA-N 1 1 392.528 3.515 50 0 GHAAMO O=C(C1CCC1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014956384 843631210 /nfs/dbraw/zinc/63/12/10/843631210.db2.gz ONNXXNYBADSKCO-HXUWFJFHSA-N 1 1 375.601 3.756 50 0 GHAAMO CC(C)C[N@H+]1CC[C@H](C(=O)NCc2cccc(COCc3ccccc3)c2)C1 ZINC000079107655 848882077 /nfs/dbraw/zinc/88/20/77/848882077.db2.gz JQHOBCZAGWBTKR-QHCPKHFHSA-N 1 1 380.532 3.998 50 0 GHAAMO OCC[C@H]1CN(C2CCN(c3ccccc3)CC2)CC[N@H+]1CC1CCCCC1 ZINC000023145222 848921207 /nfs/dbraw/zinc/92/12/07/848921207.db2.gz OJLMXBOFVGENAS-DEOSSOPVSA-N 1 1 385.596 3.604 50 0 GHAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)NC1CC1 ZINC000057449356 862099039 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3.790 50 0 GHAAMO CC(=O)Nc1ccc(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000040107125 856664256 /nfs/dbraw/zinc/66/42/56/856664256.db2.gz VNSDVODHGXWLES-GOSISDBHSA-N 1 1 393.531 3.736 50 0 GHAAMO CC(C)c1cc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)nn1C(C)(C)C ZINC000040141462 856679230 /nfs/dbraw/zinc/67/92/30/856679230.db2.gz BMQGTIPKXJMGTM-UHFFFAOYSA-N 1 1 398.551 3.524 50 0 GHAAMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1csc(Br)c1 ZINC000040157058 856688862 /nfs/dbraw/zinc/68/88/62/856688862.db2.gz PJLZJIJWTQIFSW-UHFFFAOYSA-N 1 1 395.322 3.638 50 0 GHAAMO COc1ccc(-c2n[nH]cc2C[N@@H+](CC2CCC2)C[C@H]2CCCO2)c(OC)c1 ZINC000011663454 856872054 /nfs/dbraw/zinc/87/20/54/856872054.db2.gz GBPIXSFGIWDFTB-LJQANCHMSA-N 1 1 385.508 3.875 50 0 GHAAMO CCCC[N@@H+](CC)CCCNC(=O)COCc1cc(-c2ccc(F)cc2)on1 ZINC000009436359 857200744 /nfs/dbraw/zinc/20/07/44/857200744.db2.gz GYFVHAPNMBHNIO-UHFFFAOYSA-N 1 1 391.487 3.626 50 0 GHAAMO O=C(Cc1cnc(-c2ccc(F)cc2)s1)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000229714668 862904854 /nfs/dbraw/zinc/90/48/54/862904854.db2.gz FVRBDNNBYUJKHE-APWZRJJASA-N 1 1 387.524 3.872 50 0 GHAAMO CC(=O)Nc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000010092379 857405941 /nfs/dbraw/zinc/40/59/41/857405941.db2.gz DYYAOFHEINWXRM-HXUWFJFHSA-N 1 1 385.895 3.865 50 0 GHAAMO O=C(NCc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(Cc3cccs3)CC2)C1 ZINC000011873166 857846413 /nfs/dbraw/zinc/84/64/13/857846413.db2.gz APMMULSRGBFPDY-HXUWFJFHSA-N 1 1 397.588 3.741 50 0 GHAAMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccc(O)cc2OC)C1 ZINC000011998887 858452441 /nfs/dbraw/zinc/45/24/41/858452441.db2.gz NLLMVBBOFWCZRQ-HSZRJFAPSA-N 1 1 383.488 3.789 50 0 GHAAMO CCCc1ccc(S(=O)(=O)N2CCC(C[N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000032951941 859249192 /nfs/dbraw/zinc/24/91/92/859249192.db2.gz MKUPRTYKJJTFCK-SFHVURJKSA-N 1 1 378.582 3.772 50 0 GHAAMO Cc1cc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)ccn1 ZINC000527538230 859642076 /nfs/dbraw/zinc/64/20/76/859642076.db2.gz JVMKNXFZMABIDC-LJQANCHMSA-N 1 1 375.476 3.745 50 0 GHAAMO COC[C@H]1C[N@H+](C2CCC2)CC12CCN(C(=O)c1nccc3ccccc31)CC2 ZINC000169786862 859783167 /nfs/dbraw/zinc/78/31/67/859783167.db2.gz RRPNCLLHPKAUTI-LJQANCHMSA-N 1 1 393.531 3.588 50 0 GHAAMO COc1ccc(C(=O)N(CCc2ccccc2)C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000012314381 859886237 /nfs/dbraw/zinc/88/62/37/859886237.db2.gz ZLSMGNWJGQHIGZ-HXUWFJFHSA-N 1 1 396.531 3.731 50 0 GHAAMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cnc(C3CC3)nc2N)c1 ZINC000806504496 860219399 /nfs/dbraw/zinc/21/93/99/860219399.db2.gz LWKWSHOVFCOXSR-UHFFFAOYSA-N 1 1 376.464 3.557 50 0 GHAAMO CSc1ccc(C[N@H+](C)[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)cc1 ZINC000007918569 860396692 /nfs/dbraw/zinc/39/66/92/860396692.db2.gz WYBHIKGAHDSVIZ-QGZVFWFLSA-N 1 1 399.560 3.601 50 0 GHAAMO CSc1ccc(C[N@@H+](C)[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)cc1 ZINC000007918569 860396705 /nfs/dbraw/zinc/39/67/05/860396705.db2.gz WYBHIKGAHDSVIZ-QGZVFWFLSA-N 1 1 399.560 3.601 50 0 GHAAMO COc1ccccc1-c1cnc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)o1 ZINC000095980442 860732613 /nfs/dbraw/zinc/73/26/13/860732613.db2.gz ALYLVZWIDPJDFY-OAHLLOKOSA-N 1 1 379.464 3.725 50 0 GHAAMO COc1ccccc1-c1cnc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)o1 ZINC000095980442 860732620 /nfs/dbraw/zinc/73/26/20/860732620.db2.gz ALYLVZWIDPJDFY-OAHLLOKOSA-N 1 1 379.464 3.725 50 0 GHAAMO COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@]4(C3)CCCOC4)c2)cc1 ZINC000793619554 863393565 /nfs/dbraw/zinc/39/35/65/863393565.db2.gz HDWSFAOJUQTROU-HSZRJFAPSA-N 1 1 380.488 3.950 50 0 GHAAMO COc1cc(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc(OC)c1OC ZINC000824519328 864062623 /nfs/dbraw/zinc/06/26/23/864062623.db2.gz ALJSEXOJMCHMKP-UGKGYDQZSA-N 1 1 388.552 3.941 50 0 GHAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@H](CNC(=O)Cc3cccs3)C2)cc1 ZINC000824646604 864099955 /nfs/dbraw/zinc/09/99/55/864099955.db2.gz BCCUKORHAPHIEA-KPUAHBEZSA-N 1 1 384.545 3.841 50 0 GHAAMO CSc1ccc2cc(C[N@H+]3CCC[C@H](CNC(=O)C4(C)CC4)C3)c(=O)[nH]c2c1 ZINC000824939779 864210673 /nfs/dbraw/zinc/21/06/73/864210673.db2.gz UYFXIRCXAYZLKJ-OAHLLOKOSA-N 1 1 399.560 3.791 50 0 GHAAMO Cn1cc(-c2cc(C[N@H+]3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)on2)cn1 ZINC000185039848 865139872 /nfs/dbraw/zinc/13/98/72/865139872.db2.gz NWWQQOOELIDHJT-NSHDSACASA-N 1 1 397.426 3.930 50 0 GHAAMO Cn1ccnc1-c1ccccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000828184294 865232917 /nfs/dbraw/zinc/23/29/17/865232917.db2.gz XHOFPYIFVSPCKW-GOSISDBHSA-N 1 1 392.478 3.621 50 0 GHAAMO Cn1ccnc1-c1ccccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000828184294 865232932 /nfs/dbraw/zinc/23/29/32/865232932.db2.gz XHOFPYIFVSPCKW-GOSISDBHSA-N 1 1 392.478 3.621 50 0 GHAAMO Cc1cccc(OCCc2noc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000575316981 865991249 /nfs/dbraw/zinc/99/12/49/865991249.db2.gz KWMBPPWSVHMQCR-IBGZPJMESA-N 1 1 378.476 3.774 50 0 GHAAMO CCn1cc(C[N@H+]2CCC[C@H](Cc3ncc(C)n3Cc3ccccc3)C2)cn1 ZINC000575317678 865992690 /nfs/dbraw/zinc/99/26/90/865992690.db2.gz VTEJMILJBRHRGY-OAQYLSRUSA-N 1 1 377.536 3.911 50 0 GHAAMO Cc1ncccc1C(=O)N1CCC([N@H+]2C[C@@H](OCC3CC3)C23CCCCC3)CC1 ZINC000581802718 870001614 /nfs/dbraw/zinc/00/16/14/870001614.db2.gz OMLCSBGCHLWCJB-JOCHJYFZSA-N 1 1 397.563 3.808 50 0 GHAAMO Cc1ncccc1C(=O)N1CCC([N@H+]2C[C@H](OCC3CC3)C23CCCCC3)CC1 ZINC000581802719 870001895 /nfs/dbraw/zinc/00/18/95/870001895.db2.gz OMLCSBGCHLWCJB-QFIPXVFZSA-N 1 1 397.563 3.808 50 0 GHAAMO CCS(=O)(=O)N1CCC([N@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)CC1 ZINC000581802580 870002156 /nfs/dbraw/zinc/00/21/56/870002156.db2.gz LTSXPFHFRBHYGK-HXUWFJFHSA-N 1 1 376.566 3.808 50 0 GHAAMO Cc1ccc(C(=O)N2CCC([C@H]3[C@@H](Oc4ccccc4)C[N@@H+]3C(C)C)CC2)cn1 ZINC000581813134 870021224 /nfs/dbraw/zinc/02/12/24/870021224.db2.gz DJGYACJTXIDJFH-GOTSBHOMSA-N 1 1 393.531 3.782 50 0 GHAAMO C[NH+]1CCN(Cc2ccc(CC3CCN(C(=O)c4cccs4)CC3)cc2)CC1 ZINC000581810336 870043099 /nfs/dbraw/zinc/04/30/99/870043099.db2.gz NSLWQSKQPQNYNI-UHFFFAOYSA-N 1 1 397.588 3.590 50 0 GHAAMO Cc1ccsc1CN(CCO)C(=O)[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000952861109 904631508 /nfs/dbraw/zinc/63/15/08/904631508.db2.gz DERSEFSTAHPKIT-FQEVSTJZSA-N 1 1 390.524 3.744 50 0 GHAAMO Cc1ccc(F)c(C(=O)Nc2ccc(C)c(NC(=O)C[NH+](C)C)c2)c1Cl ZINC000952970408 904648731 /nfs/dbraw/zinc/64/87/31/904648731.db2.gz ULSBDCWWILCTQX-UHFFFAOYSA-N 1 1 377.847 3.848 50 0 GHAAMO COc1ccccc1-c1ncc(CN(C)C[C@@H]2Cc3ccccc3C[N@H+]2C)cn1 ZINC000952975843 904654546 /nfs/dbraw/zinc/65/45/46/904654546.db2.gz GVINFKHFKZPDPP-NRFANRHFSA-N 1 1 388.515 3.641 50 0 GHAAMO COc1ccccc1-c1ncc(C[N@H+](C)C[C@@H]2Cc3ccccc3CN2C)cn1 ZINC000952975843 904654553 /nfs/dbraw/zinc/65/45/53/904654553.db2.gz GVINFKHFKZPDPP-NRFANRHFSA-N 1 1 388.515 3.641 50 0 GHAAMO COc1ccc(C[NH+]2CCC([C@H](O)c3cccs3)CC2)c(OC)c1OC ZINC000952983625 904669634 /nfs/dbraw/zinc/66/96/34/904669634.db2.gz WCPFRRRQJAHXTL-SFHVURJKSA-N 1 1 377.506 3.720 50 0 GHAAMO C[NH+](C)[C@@H](CNC(=O)/C=C\c1cnn(-c2ccccc2)c1)c1ccccc1Cl ZINC000096943786 915259362 /nfs/dbraw/zinc/25/93/62/915259362.db2.gz KHBMENUXVJIRHX-SQZREULQSA-N 1 1 394.906 3.958 50 0 GHAAMO O=C(c1ccoc1)N1CCOc2ccc(C[N@H+]3CCc4ccccc4C3)cc2C1 ZINC000012281171 926257569 /nfs/dbraw/zinc/25/75/69/926257569.db2.gz SILZOHRWRWHVCL-UHFFFAOYSA-N 1 1 388.467 3.873 50 0 GHAAMO C[C@@H]([NH2+]Cc1cc2n(n1)CCCC2)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000649575074 1048995014 /nfs/dbraw/zinc/99/50/14/1048995014.db2.gz BBTSKURJRODXKI-MRXNPFEDSA-N 1 1 375.476 3.718 50 0 GHAAMO Cc1cccc(N2CCN(C(=O)c3ccc(-c4ccc(N)[nH+]c4C)cc3)CC2)c1 ZINC000426506555 231231374 /nfs/dbraw/zinc/23/13/74/231231374.db2.gz GAGSCIXMUONFNQ-UHFFFAOYSA-N 1 1 386.499 3.740 50 0 GHAAMO Fc1cccc(C[N@@H+]2CCCN(Cc3nc(Cc4ccccc4)no3)CC2)c1 ZINC000019301032 210239442 /nfs/dbraw/zinc/23/94/42/210239442.db2.gz DGGSIZYBWDQBEY-UHFFFAOYSA-N 1 1 380.467 3.507 50 0 GHAAMO Fc1cccc(C[N@H+]2CCCN(Cc3nc(Cc4ccccc4)no3)CC2)c1 ZINC000019301032 210239448 /nfs/dbraw/zinc/23/94/48/210239448.db2.gz DGGSIZYBWDQBEY-UHFFFAOYSA-N 1 1 380.467 3.507 50 0 GHAAMO COc1ccc(CC[N@@H+](C)CC(=O)N2CCC[C@H]2c2cccs2)cc1OC ZINC000016338772 210189948 /nfs/dbraw/zinc/18/99/48/210189948.db2.gz PKMYMEMPWFQGNO-KRWDZBQOSA-N 1 1 388.533 3.603 50 0 GHAAMO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000015350377 210155961 /nfs/dbraw/zinc/15/59/61/210155961.db2.gz QENSIGLAJLQUMI-PKOBYXMFSA-N 1 1 380.488 3.956 50 0 GHAAMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000015350377 210155965 /nfs/dbraw/zinc/15/59/65/210155965.db2.gz QENSIGLAJLQUMI-PKOBYXMFSA-N 1 1 380.488 3.956 50 0 GHAAMO COc1ccc2cc(C(=O)[C@H]3CCC[N@@H+](Cc4cn(C)nc4C)C3)ccc2c1 ZINC000015076178 210150983 /nfs/dbraw/zinc/15/09/83/210150983.db2.gz XAXISMZPVMYZGE-FQEVSTJZSA-N 1 1 377.488 3.985 50 0 GHAAMO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c1 ZINC000015032117 210145002 /nfs/dbraw/zinc/14/50/02/210145002.db2.gz XOTTZWIARRDIKC-LJQANCHMSA-N 1 1 393.531 3.659 50 0 GHAAMO CSc1ccc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(C(C)C)CC3)C2)cc1 ZINC000014981172 210139199 /nfs/dbraw/zinc/13/91/99/210139199.db2.gz CLXOMWIFFMCZEL-IBGZPJMESA-N 1 1 389.609 3.610 50 0 GHAAMO CSc1ccc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(C(C)C)CC3)C2)cc1 ZINC000014981172 210139203 /nfs/dbraw/zinc/13/92/03/210139203.db2.gz CLXOMWIFFMCZEL-IBGZPJMESA-N 1 1 389.609 3.610 50 0 GHAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N(C)C)[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000014882332 210129823 /nfs/dbraw/zinc/12/98/23/210129823.db2.gz OJTGSWAWGLSRDH-UXHICEINSA-N 1 1 388.508 3.658 50 0 GHAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N(C)C)[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000014882332 210129826 /nfs/dbraw/zinc/12/98/26/210129826.db2.gz OJTGSWAWGLSRDH-UXHICEINSA-N 1 1 388.508 3.658 50 0 GHAAMO C[NH+]1CCN(C(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CC1 ZINC000014554102 210121848 /nfs/dbraw/zinc/12/18/48/210121848.db2.gz SKBFBMLEUBGNSU-UHFFFAOYSA-N 1 1 392.286 3.633 50 0 GHAAMO FC(F)(F)c1ccc(NC(=S)N2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000013693604 210080980 /nfs/dbraw/zinc/08/09/80/210080980.db2.gz OJTYCNLOARSNQS-UHFFFAOYSA-N 1 1 394.466 3.658 50 0 GHAAMO Cc1ccc(C)c(-n2cc(C[N@H+]3CCCN(C=O)CC3)c(-c3ccccc3)n2)c1 ZINC000013593853 210070721 /nfs/dbraw/zinc/07/07/21/210070721.db2.gz OVULDSDUIDQQQF-UHFFFAOYSA-N 1 1 388.515 3.820 50 0 GHAAMO C[C@@H]1C[N@H+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H](C)O1 ZINC000013133963 210053230 /nfs/dbraw/zinc/05/32/30/210053230.db2.gz QJIQFHNUNAUHQZ-MRUHUIDDSA-N 1 1 391.458 3.541 50 0 GHAAMO C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccccc2)C1=O ZINC000012935307 210031973 /nfs/dbraw/zinc/03/19/73/210031973.db2.gz UCAWZUYTWHUKIA-NQIIRXRSSA-N 1 1 385.414 3.526 50 0 GHAAMO C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(C[N@H+]2CCC[C@@H]2c2ccccc2)C1=O ZINC000012935307 210031977 /nfs/dbraw/zinc/03/19/77/210031977.db2.gz UCAWZUYTWHUKIA-NQIIRXRSSA-N 1 1 385.414 3.526 50 0 GHAAMO CN(C(=O)Cc1c(F)cccc1F)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012761464 210003445 /nfs/dbraw/zinc/00/34/45/210003445.db2.gz PFLPYGJBPKKLIV-GOSISDBHSA-N 1 1 384.470 3.598 50 0 GHAAMO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012751683 210000181 /nfs/dbraw/zinc/00/01/81/210000181.db2.gz IVDCSDAKMREXTQ-KRWDZBQOSA-N 1 1 395.503 3.687 50 0 GHAAMO O=C(NC[C@H]1CCC[N@H+](Cc2ccc(CO)o2)C1)c1cccc2ccccc21 ZINC000012029729 209898654 /nfs/dbraw/zinc/89/86/54/209898654.db2.gz BRNSESOOHZLDIU-QGZVFWFLSA-N 1 1 378.472 3.567 50 0 GHAAMO CCCCc1nc2sc3c(ncnc3N3CC[NH+](C)CC3)c2c2c1CCC2 ZINC000002425986 209364237 /nfs/dbraw/zinc/36/42/37/209364237.db2.gz ZLVQEUGHUSNGOE-UHFFFAOYSA-N 1 1 381.549 3.823 50 0 GHAAMO COc1ccc2[nH]c(C(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)cc2c1 ZINC000001028907 209290623 /nfs/dbraw/zinc/29/06/23/209290623.db2.gz BTHJSJWKKXLIKW-UHFFFAOYSA-N 1 1 381.451 3.664 50 0 GHAAMO COc1ccc2[nH]c(C(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)cc2c1 ZINC000001028907 209290625 /nfs/dbraw/zinc/29/06/25/209290625.db2.gz BTHJSJWKKXLIKW-UHFFFAOYSA-N 1 1 381.451 3.664 50 0 GHAAMO CCOC(=O)c1c(NC(=O)C[N@H+](C)Cc2ccccc2)sc2c1CCCC2 ZINC000000955173 209283577 /nfs/dbraw/zinc/28/35/77/209283577.db2.gz BBFGKWATESBANF-UHFFFAOYSA-N 1 1 386.517 3.874 50 0 GHAAMO CCOC(=O)c1c(NC(=O)C[N@@H+](C)Cc2ccccc2)sc2c1CCCC2 ZINC000000955173 209283580 /nfs/dbraw/zinc/28/35/80/209283580.db2.gz BBFGKWATESBANF-UHFFFAOYSA-N 1 1 386.517 3.874 50 0 GHAAMO C[N@H+](Cc1ccco1)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000245257903 209216365 /nfs/dbraw/zinc/21/63/65/209216365.db2.gz HEKDZDYIDPZFMW-QZTJIDSGSA-N 1 1 382.913 3.655 50 0 GHAAMO C[N@@H+](Cc1ccco1)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000245257903 209216369 /nfs/dbraw/zinc/21/63/69/209216369.db2.gz HEKDZDYIDPZFMW-QZTJIDSGSA-N 1 1 382.913 3.655 50 0 GHAAMO Cc1cc2oc(=O)cc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)c2cc1O ZINC000054106049 209213021 /nfs/dbraw/zinc/21/30/21/209213021.db2.gz SEHHJMUAQWRYSS-UHFFFAOYSA-N 1 1 384.863 3.783 50 0 biogenic GHAAMO O[C@@]1(C(F)(F)F)C2=C([NH2+]N1c1nc3ccccc3s1)c1ccccc1OC2 ZINC000005275047 212065039 /nfs/dbraw/zinc/06/50/39/212065039.db2.gz SJANWJHLGDYGHJ-PIGZYNQJSA-N 1 1 391.374 3.780 50 0 GHAAMO Cc1nc(Cl)ccc1NC(=O)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000299800107 212041097 /nfs/dbraw/zinc/04/10/97/212041097.db2.gz ZZINLQNTBUFLIX-UHFFFAOYSA-N 1 1 376.863 3.922 50 0 GHAAMO Cc1nc(Cl)ccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000299800107 212041101 /nfs/dbraw/zinc/04/11/01/212041101.db2.gz ZZINLQNTBUFLIX-UHFFFAOYSA-N 1 1 376.863 3.922 50 0 GHAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)NCc2csc(N3CCCC3)n2)cc1 ZINC000096152215 211311114 /nfs/dbraw/zinc/31/11/14/211311114.db2.gz VEFWXDKXQXIPHX-UHFFFAOYSA-N 1 1 382.493 3.559 50 0 GHAAMO C[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cnc4c(c3)CCC4)CC2)C1 ZINC000096137371 211307171 /nfs/dbraw/zinc/30/71/71/211307171.db2.gz LRKYJYGNTGPWCK-QFIPXVFZSA-N 1 1 389.543 3.912 50 0 GHAAMO Cc1ncc(Cl)c(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)n1 ZINC000096137856 211305798 /nfs/dbraw/zinc/30/57/98/211305798.db2.gz MJTLTOGKMUQTJI-GOSISDBHSA-N 1 1 398.938 3.780 50 0 GHAAMO C[C@@H]1CCCC[N@H+]1Cc1cccc(NC(=O)N(C)CCCc2cnn(C)c2)c1 ZINC000095520388 211265831 /nfs/dbraw/zinc/26/58/31/211265831.db2.gz OMEVUCZEMWZHAO-GOSISDBHSA-N 1 1 383.540 3.891 50 0 GHAAMO COCCN(Cc1c(C)noc1C)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000095509795 211258888 /nfs/dbraw/zinc/25/88/88/211258888.db2.gz XQPXIEJBXFYIPM-FQEVSTJZSA-N 1 1 397.563 3.619 50 0 GHAAMO Cc1nc(C[NH+]2CCC3(CC(=O)N(CCCc4ccccc4)C3)CC2)cs1 ZINC000095500709 211253014 /nfs/dbraw/zinc/25/30/14/211253014.db2.gz YACBQEBBEIILAX-UHFFFAOYSA-N 1 1 383.561 3.899 50 0 GHAAMO FC(F)[C@H](CCc1ccccc1)[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000095467434 211246307 /nfs/dbraw/zinc/24/63/07/211246307.db2.gz AJWRVBOUCYTQQD-ZWKOTPCHSA-N 1 1 380.504 3.978 50 0 GHAAMO FC(F)[C@@H](CCc1ccccc1)[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000095467433 211246314 /nfs/dbraw/zinc/24/63/14/211246314.db2.gz AJWRVBOUCYTQQD-MSOLQXFVSA-N 1 1 380.504 3.978 50 0 GHAAMO COCCCCCC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095373308 211229694 /nfs/dbraw/zinc/22/96/94/211229694.db2.gz LKZPSLPVQSWCCN-MTNREXPMSA-N 1 1 392.490 3.560 50 0 GHAAMO O=C(c1ccc(NC2CC2)nc1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000089834938 211185480 /nfs/dbraw/zinc/18/54/80/211185480.db2.gz HISYKSQYVAGOGF-IRLDBZIGSA-N 1 1 390.531 3.783 50 0 GHAAMO C[C@H](CNc1ccccc1)NC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000084640163 211172637 /nfs/dbraw/zinc/17/26/37/211172637.db2.gz YDONTRJGHORUBI-QZTJIDSGSA-N 1 1 382.508 3.702 50 0 GHAAMO O=C(NC1CCCCCC1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082121042 211161865 /nfs/dbraw/zinc/16/18/65/211161865.db2.gz AFPQYUYJYSPLJU-OAQYLSRUSA-N 1 1 398.595 3.597 50 0 GHAAMO CCN(C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1)C1CCCC1 ZINC000082092620 211160558 /nfs/dbraw/zinc/16/05/58/211160558.db2.gz NGHSOOIGXHIIPS-NRFANRHFSA-N 1 1 398.595 3.549 50 0 GHAAMO O=C(c1ccccc1N1CCCC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000077376827 211131163 /nfs/dbraw/zinc/13/11/63/211131163.db2.gz VFPHTWJTIVKGKN-UHFFFAOYSA-N 1 1 381.495 3.774 50 0 GHAAMO O=C(c1ccccc1N1CCCC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000077376827 211131166 /nfs/dbraw/zinc/13/11/66/211131166.db2.gz VFPHTWJTIVKGKN-UHFFFAOYSA-N 1 1 381.495 3.774 50 0 GHAAMO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2cccc(C)n2)C1 ZINC000076857420 211126908 /nfs/dbraw/zinc/12/69/08/211126908.db2.gz JUFOAJUPZAZRSC-QHCPKHFHSA-N 1 1 382.504 3.787 50 0 GHAAMO CC(C)CCn1c2ccccc2nc1C[N@H+]1CCC[C@]2(CN(C)C(=O)O2)CC1 ZINC000072143172 211075617 /nfs/dbraw/zinc/07/56/17/211075617.db2.gz QVJYXEXTGWIZBX-JOCHJYFZSA-N 1 1 384.524 3.889 50 0 GHAAMO CCn1nc(C)cc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000072140336 211074011 /nfs/dbraw/zinc/07/40/11/211074011.db2.gz OUIUALVUEKGVEM-NRFANRHFSA-N 1 1 386.515 3.723 50 0 GHAAMO CC(C)[C@@H]1CN(C(=O)CCCn2cccn2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071751396 211055721 /nfs/dbraw/zinc/05/57/21/211055721.db2.gz UQTSHISSGJHMJM-NRFANRHFSA-N 1 1 386.515 3.562 50 0 GHAAMO CNc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)ccn1 ZINC000071681507 211050597 /nfs/dbraw/zinc/05/05/97/211050597.db2.gz LGIHUBIWPWJQBV-HXUWFJFHSA-N 1 1 384.499 3.635 50 0 GHAAMO O=C(CC[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1)NC1CC1 ZINC000067894720 211028540 /nfs/dbraw/zinc/02/85/40/211028540.db2.gz JBRFOZVEMNTSGX-UHFFFAOYSA-N 1 1 386.879 3.576 50 0 GHAAMO Cc1[nH+]ccn1CC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067869026 211027674 /nfs/dbraw/zinc/02/76/74/211027674.db2.gz KHOQXOFZVCWMDU-UHFFFAOYSA-N 1 1 397.862 3.639 50 0 GHAAMO Cc1ccc(-c2nc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)[nH]c2-c2ccccn2)cc1 ZINC000067872178 211026983 /nfs/dbraw/zinc/02/69/83/211026983.db2.gz GSJJZSVYPVJBNF-IBGZPJMESA-N 1 1 389.503 3.548 50 0 GHAAMO Cc1ccc(-c2[nH]c(CNC(=O)[C@@H]3CCCC[N@H+]3C)nc2-c2ccccn2)cc1 ZINC000067872178 211026991 /nfs/dbraw/zinc/02/69/91/211026991.db2.gz GSJJZSVYPVJBNF-IBGZPJMESA-N 1 1 389.503 3.548 50 0 GHAAMO Cc1ccc(-c2[nH]c(CNC(=O)[C@@H]3CCCC[N@@H+]3C)nc2-c2ccccn2)cc1 ZINC000067872178 211026994 /nfs/dbraw/zinc/02/69/94/211026994.db2.gz GSJJZSVYPVJBNF-IBGZPJMESA-N 1 1 389.503 3.548 50 0 GHAAMO COc1cc2c(cc1C[N@@H+]1CCc3[nH]nc(-c4ccccc4F)c3C1)OCO2 ZINC000067458744 211010394 /nfs/dbraw/zinc/01/03/94/211010394.db2.gz 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CCC[N@@H+]1CCc2c(sc3ncn4nc(-c5ccc(OC)cc5)nc4c23)C1 ZINC000020442168 210334497 /nfs/dbraw/zinc/33/44/97/210334497.db2.gz MHVFKJYGADXIRD-UHFFFAOYSA-N 1 1 379.489 3.783 50 0 GHAAMO CCC[N@H+]1CCc2c(sc3ncn4nc(-c5ccc(OC)cc5)nc4c23)C1 ZINC000020442168 210334503 /nfs/dbraw/zinc/33/45/03/210334503.db2.gz MHVFKJYGADXIRD-UHFFFAOYSA-N 1 1 379.489 3.783 50 0 GHAAMO Cc1ccc2c(c1)-c1onc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c1CO2 ZINC000020105362 210316387 /nfs/dbraw/zinc/31/63/87/210316387.db2.gz VDWAPVDPJRCLSY-IYBDPMFKSA-N 1 1 383.492 3.640 50 0 GHAAMO C[N@@H+](C1CCN(Cc2ccccn2)CC1)[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000019835951 210302995 /nfs/dbraw/zinc/30/29/95/210302995.db2.gz WDUQFUXZXIYPSV-RUZDIDTESA-N 1 1 392.591 3.685 50 0 GHAAMO S=C(Nc1ccc(Br)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019841144 210301624 /nfs/dbraw/zinc/30/16/24/210301624.db2.gz UAVLFHVXJZWBIW-UHFFFAOYSA-N 1 1 390.350 3.964 50 0 GHAAMO Cc1oc(-c2cccc(C)c2)nc1CN1CCC([C@@H](C)[NH+]2CCOCC2)CC1 ZINC000019810561 210299920 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1 386.536 3.821 50 0 GHAAMO CSCc1cccc(C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000036389942 570671669 /nfs/dbraw/zinc/67/16/69/570671669.db2.gz QEBKJQVCZMHZBX-QFIPXVFZSA-N 1 1 397.588 3.658 50 0 GHAAMO CSCc1cccc(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000036389942 570671674 /nfs/dbraw/zinc/67/16/74/570671674.db2.gz QEBKJQVCZMHZBX-QFIPXVFZSA-N 1 1 397.588 3.658 50 0 GHAAMO CSCc1cccc(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000036389942 570671678 /nfs/dbraw/zinc/67/16/78/570671678.db2.gz QEBKJQVCZMHZBX-QFIPXVFZSA-N 1 1 397.588 3.658 50 0 GHAAMO O=C(c1ccc(Br)cc1F)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000036396286 570679941 /nfs/dbraw/zinc/67/99/41/570679941.db2.gz SLBZOMBJCNPAND-UHFFFAOYSA-N 1 1 397.313 3.998 50 0 GHAAMO O=C(c1ccc(Br)cc1F)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000036396286 570679944 /nfs/dbraw/zinc/67/99/44/570679944.db2.gz SLBZOMBJCNPAND-UHFFFAOYSA-N 1 1 397.313 3.998 50 0 GHAAMO O=S(=O)(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Cl)cc(Cl)c1 ZINC000036396625 570680846 /nfs/dbraw/zinc/68/08/46/570680846.db2.gz AKFCZHJCLQMUGF-INIZCTEOSA-N 1 1 385.316 3.546 50 0 GHAAMO O=S(=O)(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)cc(Cl)c1 ZINC000036396625 570680848 /nfs/dbraw/zinc/68/08/48/570680848.db2.gz AKFCZHJCLQMUGF-INIZCTEOSA-N 1 1 385.316 3.546 50 0 GHAAMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)cc1 ZINC000012585108 570684924 /nfs/dbraw/zinc/68/49/24/570684924.db2.gz VGLRXTRPRJYMDV-DEOSSOPVSA-N 1 1 393.531 3.572 50 0 GHAAMO Cn1cc(C[N@@H+](C)C[C@@H]2COCCO2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000012718650 570705941 /nfs/dbraw/zinc/70/59/41/570705941.db2.gz DVCYBAUZNHWPRH-JOCHJYFZSA-N 1 1 393.487 3.727 50 0 GHAAMO CC[C@H]1CCCC[N@H+]1CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000006996508 570733042 /nfs/dbraw/zinc/73/30/42/570733042.db2.gz LKFDRYBQPWAZAE-XUZZJYLKSA-N 1 1 391.515 3.898 50 0 GHAAMO CCCc1noc(-c2cccnc2N2CCC[N@@H+](Cc3ccccc3F)CC2)n1 ZINC000065257931 570758908 /nfs/dbraw/zinc/75/89/08/570758908.db2.gz VXDOXPJJCIVWNW-UHFFFAOYSA-N 1 1 395.482 3.936 50 0 GHAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@@H](C(C)C)n1cccc1 ZINC000524731367 570766100 /nfs/dbraw/zinc/76/61/00/570766100.db2.gz UKIPKTSOEJSXEW-BHDDXSALSA-N 1 1 389.584 3.815 50 0 biogenic GHAAMO COc1ccccc1N1CC[NH+](C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000051085827 570794043 /nfs/dbraw/zinc/79/40/43/570794043.db2.gz YOMCZCGVOIQIQE-GOSISDBHSA-N 1 1 380.410 3.570 50 0 GHAAMO C[N@@H+](CCCNC(=O)[C@@H]1CCCN(c2nc3ccccc3[nH]2)C1)C1CCCCC1 ZINC000033071854 570803062 /nfs/dbraw/zinc/80/30/62/570803062.db2.gz YFESMSPMTWRVSF-GOSISDBHSA-N 1 1 397.567 3.550 50 0 GHAAMO O=C(C1CC[NH+](Cc2nc3ccccc3o2)CC1)N1CCc2ccccc2C1 ZINC000032804137 570822446 /nfs/dbraw/zinc/82/24/46/570822446.db2.gz VDMGEYZLOREIOZ-UHFFFAOYSA-N 1 1 375.472 3.625 50 0 GHAAMO O=C(NC1CCCCC1)[C@H]1CCC[N@H+](C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000065554682 570834249 /nfs/dbraw/zinc/83/42/49/570834249.db2.gz ZTCZIXZBNSDFHI-QFBILLFUSA-N 1 1 398.469 3.900 50 0 GHAAMO COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)N2CCc3ccccc32)c(OC)c1 ZINC000032870882 570869071 /nfs/dbraw/zinc/86/90/71/570869071.db2.gz HAQQFRYQMYYJAO-NRFANRHFSA-N 1 1 380.488 3.820 50 0 GHAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C2c3ccccc3Oc3ccccc32)C[C@H](C)O1 ZINC000014340145 570881150 /nfs/dbraw/zinc/88/11/50/570881150.db2.gz NSBSZOGEGJQLOO-CALCHBBNSA-N 1 1 394.515 3.928 50 0 GHAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C2c3ccccc3Oc3ccccc32)C[C@H](C)O1 ZINC000014340145 570881152 /nfs/dbraw/zinc/88/11/52/570881152.db2.gz NSBSZOGEGJQLOO-CALCHBBNSA-N 1 1 394.515 3.928 50 0 GHAAMO CCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000042687088 570892915 /nfs/dbraw/zinc/89/29/15/570892915.db2.gz YUMFTYQJEIZTSR-LBPRGKRZSA-N 1 1 386.323 3.559 50 0 GHAAMO CCOc1ccc(C(C)=O)cc1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000032899877 570895697 /nfs/dbraw/zinc/89/56/97/570895697.db2.gz OCVSVWFYDFSSMF-CQSZACIVSA-N 1 1 375.490 3.542 50 0 GHAAMO Cc1ccccc1NC(=S)N[C@H](C)[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000022456985 570896360 /nfs/dbraw/zinc/89/63/60/570896360.db2.gz LFWPVSNFMSKJIR-VQIMIIECSA-N 1 1 388.606 3.720 50 0 GHAAMO Cc1ccccc1NC(=S)N[C@H](C)[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000022456985 570896365 /nfs/dbraw/zinc/89/63/65/570896365.db2.gz LFWPVSNFMSKJIR-VQIMIIECSA-N 1 1 388.606 3.720 50 0 GHAAMO CCC(=O)N[C@H](C)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023181394 570944251 /nfs/dbraw/zinc/94/42/51/570944251.db2.gz CRQIUZLKARJIEF-QRWLVFNGSA-N 1 1 375.513 3.665 50 0 GHAAMO COCCC[N@H+]1CCc2nc(SCc3ccc(F)cc3Cl)[nH]c(=O)c2C1 ZINC000033287229 570955399 /nfs/dbraw/zinc/95/53/99/570955399.db2.gz DRQGOSFRNZBOGN-UHFFFAOYSA-N 1 1 397.903 3.662 50 0 GHAAMO C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)NCc3ccccc3Cl)C[C@H]2[C@H]1c1ccccc1 ZINC000106920672 570969034 /nfs/dbraw/zinc/96/90/34/570969034.db2.gz QYGUSLVJRGZLOY-TXTKFYIRSA-N 1 1 397.950 3.581 50 0 GHAAMO CN1C[C@@H]2C[N@H+](CCC(=O)NCc3ccccc3Cl)C[C@H]2[C@H]1c1ccccc1 ZINC000106920672 570969038 /nfs/dbraw/zinc/96/90/38/570969038.db2.gz QYGUSLVJRGZLOY-TXTKFYIRSA-N 1 1 397.950 3.581 50 0 GHAAMO CN1C[C@@H]2C[N@@H+](CCC(=O)NCc3ccccc3Cl)C[C@H]2[C@H]1c1ccccc1 ZINC000106920672 570969042 /nfs/dbraw/zinc/96/90/42/570969042.db2.gz QYGUSLVJRGZLOY-TXTKFYIRSA-N 1 1 397.950 3.581 50 0 GHAAMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000107542745 570974469 /nfs/dbraw/zinc/97/44/69/570974469.db2.gz LFLYVYAJCOCPJT-RBUKOAKNSA-N 1 1 376.928 3.521 50 0 GHAAMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000107542745 570974475 /nfs/dbraw/zinc/97/44/75/570974475.db2.gz LFLYVYAJCOCPJT-RBUKOAKNSA-N 1 1 376.928 3.521 50 0 GHAAMO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012743702 570986913 /nfs/dbraw/zinc/98/69/13/570986913.db2.gz XGSGUGPHXIYIAM-RZQQEMMASA-N 1 1 398.478 4.000 50 0 GHAAMO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012743702 570986916 /nfs/dbraw/zinc/98/69/16/570986916.db2.gz XGSGUGPHXIYIAM-RZQQEMMASA-N 1 1 398.478 4.000 50 0 GHAAMO COc1ccc(-n2nc(C(=O)Nc3cccc4c3C[N@H+](C3CC3)C4)cc2C)cc1 ZINC000252523054 570987447 /nfs/dbraw/zinc/98/74/47/570987447.db2.gz BSSVASGYGSWMTD-UHFFFAOYSA-N 1 1 388.471 3.920 50 0 GHAAMO Cc1nnc(SCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)s1 ZINC000084296735 571011654 /nfs/dbraw/zinc/01/16/54/571011654.db2.gz GEZXHSVTYOATRX-HNNXBMFYSA-N 1 1 396.969 3.545 50 0 GHAAMO c1c(COc2ccccc2)nnn1CC[C@@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000581818892 837721253 /nfs/dbraw/zinc/72/12/53/837721253.db2.gz UCNADCKFOFMMMI-NRFANRHFSA-N 1 1 377.492 3.697 50 0 GHAAMO COCC[N@H+]1CC2(CCN(C(=O)c3ccccc3Cl)CC2)[C@@H]1c1ccncc1 ZINC000257175688 838695712 /nfs/dbraw/zinc/69/57/12/838695712.db2.gz QPMXYGYIKOEMKD-FQEVSTJZSA-N 1 1 399.922 3.661 50 0 GHAAMO C[C@@]1(CNC(=O)c2ccc(-c3ncon3)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000162413398 840887010 /nfs/dbraw/zinc/88/70/10/840887010.db2.gz WTNQQDPYEXGNAM-QFIPXVFZSA-N 1 1 376.460 3.521 50 0 GHAAMO COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)C[NH+]2CCCCC2)c1 ZINC000079112484 849303961 /nfs/dbraw/zinc/30/39/61/849303961.db2.gz MHKOJNDTBYODLS-IBGZPJMESA-N 1 1 383.517 3.920 50 0 GHAAMO CCOC(=O)c1c(NC(=O)[C@H](C)[NH2+]Cc2ccco2)sc2c1CC[C@H](C)C2 ZINC000003292317 862315083 /nfs/dbraw/zinc/31/50/83/862315083.db2.gz MAVYPFZMAMHYOF-STQMWFEESA-N 1 1 390.505 3.759 50 0 GHAAMO O=C(/C=C/c1ccncc1)N1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000012448347 862403774 /nfs/dbraw/zinc/40/37/74/862403774.db2.gz HSPOIGSZJUTNQT-PRSVDJLGSA-N 1 1 375.516 3.652 50 0 GHAAMO Cn1cc(CC[N@H+]2C[C@H](c3cccc(C(F)(F)F)c3)OCC23CCCC3)nn1 ZINC000625460566 862536343 /nfs/dbraw/zinc/53/63/43/862536343.db2.gz PXSQGCKBFVZVKM-GOSISDBHSA-N 1 1 394.441 3.763 50 0 GHAAMO CC[N@@H+](Cc1ccc2[nH]ccc2c1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000253536223 855693226 /nfs/dbraw/zinc/69/32/26/855693226.db2.gz KXOZEJSZAVYTCA-UHFFFAOYSA-N 1 1 392.459 3.856 50 0 GHAAMO CC[N@H+](Cc1ccc2[nH]ccc2c1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000253536223 855693230 /nfs/dbraw/zinc/69/32/30/855693230.db2.gz KXOZEJSZAVYTCA-UHFFFAOYSA-N 1 1 392.459 3.856 50 0 GHAAMO Cc1csc2nc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCCO4)cc(=O)n12 ZINC000008271366 856092973 /nfs/dbraw/zinc/09/29/73/856092973.db2.gz XFQRZVQTYBNJCW-KRWDZBQOSA-N 1 1 397.500 3.563 50 0 GHAAMO Cc1csc2nc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCCO4)cc(=O)n12 ZINC000008271366 856092982 /nfs/dbraw/zinc/09/29/82/856092982.db2.gz XFQRZVQTYBNJCW-KRWDZBQOSA-N 1 1 397.500 3.563 50 0 GHAAMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1CCC2(CC1)OCCO2 ZINC000040071637 856648654 /nfs/dbraw/zinc/64/86/54/856648654.db2.gz AZUFZEXAECYXBJ-GFCCVEGCSA-N 1 1 383.370 3.655 50 0 GHAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1csc(Cc2ccccc2)n1 ZINC000040088730 856654273 /nfs/dbraw/zinc/65/42/73/856654273.db2.gz ODTSAZXTQWSMIX-GOSISDBHSA-N 1 1 381.501 3.894 50 0 GHAAMO COc1ccccc1[C@@H](CNC(=O)c1ccc(CSC(F)F)o1)[NH+](C)C ZINC000040090999 856659943 /nfs/dbraw/zinc/65/99/43/856659943.db2.gz BZSCAEKEEPQKQB-CQSZACIVSA-N 1 1 384.448 3.777 50 0 GHAAMO C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000245380865 856811812 /nfs/dbraw/zinc/81/18/12/856811812.db2.gz QJBYDMMGFHPXAQ-QXGSTGNESA-N 1 1 384.973 3.907 50 0 GHAAMO O=C(N1CCC2(CC1)[NH2+]Cc1ccccc1-n1ccnc12)C1(c2ccccc2)CC1 ZINC000169749088 857981001 /nfs/dbraw/zinc/98/10/01/857981001.db2.gz LCWPPFJTEDHSIS-UHFFFAOYSA-N 1 1 398.510 3.525 50 0 GHAAMO CCC(CC)C[N@@H+](C)Cc1nc(-c2ccccc2NS(C)(=O)=O)oc1C ZINC000011785316 858937711 /nfs/dbraw/zinc/93/77/11/858937711.db2.gz TYHBHROSNNFUCA-UHFFFAOYSA-N 1 1 379.526 3.890 50 0 GHAAMO CCC(=O)N[C@H](c1nnc2n1CC[N@H+](Cc1ccc(C(C)C)cc1)CC2)C(C)C ZINC000012282087 859666534 /nfs/dbraw/zinc/66/65/34/859666534.db2.gz ONLBOJXMWWRVSI-QFIPXVFZSA-N 1 1 397.567 3.683 50 0 GHAAMO Fc1cccc(F)c1-n1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)n1 ZINC000155174566 881600079 /nfs/dbraw/zinc/60/00/79/881600079.db2.gz VHJGXVMPWRPDEJ-SFHVURJKSA-N 1 1 391.462 3.701 50 0 GHAAMO COc1ccc(F)c(CN2CCC[C@]3(CC[N@@H+](Cc4cccc(C)n4)C3)C2=O)c1 ZINC000012387727 861101665 /nfs/dbraw/zinc/10/16/65/861101665.db2.gz AYHUBPCJBPFKSV-HSZRJFAPSA-N 1 1 397.494 3.552 50 0 GHAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(C)c(C)c2)CC1 ZINC000022460120 861126382 /nfs/dbraw/zinc/12/63/82/861126382.db2.gz CZMIZBYRPHMXEY-NQIIRXRSSA-N 1 1 385.577 3.862 50 0 GHAAMO CCc1ccc2nc(C)cc(C(=O)Nc3ccc(NC(=O)C[NH+](C)C)cc3)c2c1 ZINC000823528235 863121879 /nfs/dbraw/zinc/12/18/79/863121879.db2.gz LVZPUNUOMKXXBK-UHFFFAOYSA-N 1 1 390.487 3.858 50 0 GHAAMO COc1ccc(-n2cccn2)c(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CC2)c1 ZINC000824629443 864103582 /nfs/dbraw/zinc/10/35/82/864103582.db2.gz XLAXMHSWRQDXDK-UHFFFAOYSA-N 1 1 377.444 3.774 50 0 GHAAMO O=C(NCC[N@H+]1CCC[C@@H](c2ccccc2)C1)c1c[nH]c(=O)c2ccccc12 ZINC000828137142 865204415 /nfs/dbraw/zinc/20/44/15/865204415.db2.gz XXVOJCWBGYJUQD-GOSISDBHSA-N 1 1 375.472 3.550 50 0 GHAAMO CC(C)c1nc(CNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)no1 ZINC000828157213 865214376 /nfs/dbraw/zinc/21/43/76/865214376.db2.gz VOMNRFSQCKGECZ-UHFFFAOYSA-N 1 1 390.487 3.681 50 0 GHAAMO O=C(c1ccc2cc[nH]c2c1)N1CC[C@@H]2COCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000581782310 869980201 /nfs/dbraw/zinc/98/02/01/869980201.db2.gz ZYOHCGIJYITCOD-FYYLOGMGSA-N 1 1 389.499 3.531 50 0 GHAAMO Cc1cc(C(=O)N2CCC([N@H+]3CC4(CCCC4)[C@H]3c3ccccc3)CC2)n(C)n1 ZINC000581802487 870002138 /nfs/dbraw/zinc/00/21/38/870002138.db2.gz KOMZJYLBZYLRFC-JOCHJYFZSA-N 1 1 392.547 3.950 50 0 GHAAMO Cc1cc(N2CCC(NC(=O)Nc3cccc(-c4ncco4)c3)CC2)nc(C)[nH+]1 ZINC000152431101 878362475 /nfs/dbraw/zinc/36/24/75/878362475.db2.gz VITDHHFIOHBITI-UHFFFAOYSA-N 1 1 392.463 3.539 50 0 GHAAMO O=C(N[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnc(Nc2ccccc2)nc1 ZINC000670448631 893443549 /nfs/dbraw/zinc/44/35/49/893443549.db2.gz PHWCXDVLCIJLKB-SFHVURJKSA-N 1 1 393.516 3.676 50 0 GHAAMO C[N@H+](Cc1cccnc1)C[C@H]1CCCN(C(=O)c2ccccc2OC2CC2)C1 ZINC000585083168 897070203 /nfs/dbraw/zinc/07/02/03/897070203.db2.gz WJBTWARBSHDCMW-LJQANCHMSA-N 1 1 379.504 3.607 50 0 GHAAMO CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N(C)Cc1cc(-c2cccs2)n[nH]1 ZINC000952963793 904643025 /nfs/dbraw/zinc/64/30/25/904643025.db2.gz KHQJPFPYGLGQMN-LJQANCHMSA-N 1 1 380.517 3.543 50 0 GHAAMO CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N(C)Cc1cc(-c2cccs2)n[nH]1 ZINC000952963793 904643031 /nfs/dbraw/zinc/64/30/31/904643031.db2.gz KHQJPFPYGLGQMN-LJQANCHMSA-N 1 1 380.517 3.543 50 0 GHAAMO COc1cc2c(cc1C[N@@H+](C)C[C@H]1CCN(c3ccccc3)C1)OCCCO2 ZINC000952984917 904671545 /nfs/dbraw/zinc/67/15/45/904671545.db2.gz OQRYMJLMJGAIQI-GOSISDBHSA-N 1 1 382.504 3.815 50 0 GHAAMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cnc4cc(C)ccn34)C2)cc1 ZINC000092708817 911726715 /nfs/dbraw/zinc/72/67/15/911726715.db2.gz NLLAHFIYWXBUAN-LJQANCHMSA-N 1 1 391.519 3.985 50 0 GHAAMO C[N@@H+](CCc1ccccn1)Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)cc1 ZINC000048371797 1031130386 /nfs/dbraw/zinc/13/03/86/1031130386.db2.gz WIYHXZLIJNYWDS-UHFFFAOYSA-N 1 1 397.482 3.568 50 0 GHAAMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(-c2ccc(C(F)(F)F)nc2)cc1 ZINC000426359095 231206912 /nfs/dbraw/zinc/20/69/12/231206912.db2.gz 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ZINC000065396207 210992664 /nfs/dbraw/zinc/99/26/64/210992664.db2.gz LERAMPNUDKMNEV-NRFANRHFSA-N 1 1 377.492 3.521 50 0 GHAAMO C[C@@H]1C[C@@H](OC[C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)CC(C)(C)C1 ZINC000036020447 210705901 /nfs/dbraw/zinc/70/59/01/210705901.db2.gz GFQKJOYOOVSYKW-GUDVDZBRSA-N 1 1 378.532 3.540 50 0 GHAAMO Cc1cc2nc(NCc3ccccc3C[NH+]3CCOCC3)c3ccccc3n2n1 ZINC000026761828 210506185 /nfs/dbraw/zinc/50/61/85/210506185.db2.gz CAJUIYRIZGWWEO-UHFFFAOYSA-N 1 1 387.487 3.635 50 0 GHAAMO Cc1ccc(C)c(NC(=O)[C@@H]([NH2+]CCC(=O)N2CCCC2)c2ccccc2)c1 ZINC000021793578 210393111 /nfs/dbraw/zinc/39/31/11/210393111.db2.gz YRORMOKWBOMJQA-QFIPXVFZSA-N 1 1 379.504 3.585 50 0 GHAAMO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(OC)c(CN2CCOCC2)c1 ZINC000021720767 210392131 /nfs/dbraw/zinc/39/21/31/210392131.db2.gz WMXQJQJFMUZTAS-FQEVSTJZSA-N 1 1 399.535 3.723 50 0 GHAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000020910470 210368994 /nfs/dbraw/zinc/36/89/94/210368994.db2.gz 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COc1cccc([C@@H]2CC[N@H+](Cc3nc(Cc4ccccc4)no3)C2)c1OC ZINC000020683439 210355414 /nfs/dbraw/zinc/35/54/14/210355414.db2.gz RGGSGIPOTVQODH-QGZVFWFLSA-N 1 1 379.460 3.667 50 0 GHAAMO COc1cccc([C@@H]2CC[N@@H+](Cc3nc(Cc4ccccc4)no3)C2)c1OC ZINC000020683439 210355418 /nfs/dbraw/zinc/35/54/18/210355418.db2.gz RGGSGIPOTVQODH-QGZVFWFLSA-N 1 1 379.460 3.667 50 0 GHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1noc2c1COc1ccc(C)cc1-2 ZINC000020509896 210344425 /nfs/dbraw/zinc/34/44/25/210344425.db2.gz FTHJFNSOQURAMD-INIZCTEOSA-N 1 1 383.492 3.927 50 0 GHAAMO c1sc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc1-c1ccccc1 ZINC000020518219 210343549 /nfs/dbraw/zinc/34/35/49/210343549.db2.gz WDBRLJYUDPKWSO-UHFFFAOYSA-N 1 1 379.485 3.861 50 0 GHAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2c(F)cccc2F)CC1 ZINC000020288135 210325692 /nfs/dbraw/zinc/32/56/92/210325692.db2.gz JIVMIQYHTKQFAV-KUHUBIRLSA-N 1 1 393.503 3.523 50 0 GHAAMO CCCCc1nc2cc(C(=O)N3CCC([N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)ccc2o1 ZINC000020450915 210334867 /nfs/dbraw/zinc/33/48/67/210334867.db2.gz AQXXLKCCBIPUOR-CALCHBBNSA-N 1 1 399.535 3.884 50 0 GHAAMO C[N@@H+](C1CCN(Cc2cccnc2)CC1)[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000020406338 210331885 /nfs/dbraw/zinc/33/18/85/210331885.db2.gz FOBCRSGZVSKFMD-RUZDIDTESA-N 1 1 392.591 3.685 50 0 GHAAMO O[C@@H](COc1ccccc1)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000020390581 210331098 /nfs/dbraw/zinc/33/10/98/210331098.db2.gz CTVMEOGSLOPSJX-MRXNPFEDSA-N 1 1 381.303 3.555 50 0 GHAAMO COc1cc(CN2CC[N@@H+](C(C)C)[C@@H](CCO)C2)ccc1OCc1ccccc1 ZINC000019840149 210303410 /nfs/dbraw/zinc/30/34/10/210303410.db2.gz ZPHPFEOOXZSVAW-QFIPXVFZSA-N 1 1 398.547 3.551 50 0 GHAAMO CC(C)CC[N@H+]1CCN(Cc2nc(-c3ccc(F)cc3)cs2)C[C@@H]1CCO ZINC000019840549 210302824 /nfs/dbraw/zinc/30/28/24/210302824.db2.gz HIQFZJIVNAEVQP-IBGZPJMESA-N 1 1 391.556 3.864 50 0 GHAAMO COc1cccc(C[C@@]2(CO)CCC[N@@H+](Cc3ccc4nsnc4c3)C2)c1 ZINC000011934556 221139769 /nfs/dbraw/zinc/13/97/69/221139769.db2.gz QWLCIYRMNJLNJL-NRFANRHFSA-N 1 1 383.517 3.517 50 0 GHAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)C3CCCCC3)CC2)[nH+]1 ZINC000017012156 221375066 /nfs/dbraw/zinc/37/50/66/221375066.db2.gz QZJFRCDXBTVLQL-UHFFFAOYSA-N 1 1 379.508 3.758 50 0 GHAAMO Cc1ccccc1-c1c[nH]nc1C1CCN(c2cncc(C[NH+](C)C)n2)CC1 ZINC000067675167 136164815 /nfs/dbraw/zinc/16/48/15/136164815.db2.gz GXBQIKYEJIABEH-UHFFFAOYSA-N 1 1 376.508 3.621 50 0 GHAAMO CCc1noc([C@@H](C)[NH2+]C2CCN(c3ncnc4sc(C)c(C)c43)CC2)n1 ZINC000095503275 136179918 /nfs/dbraw/zinc/17/99/18/136179918.db2.gz WYPGCVXJPRRJPG-GFCCVEGCSA-N 1 1 386.525 3.573 50 0 GHAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(c1ncnc3sc(C)cc31)CC2 ZINC000095528321 136181765 /nfs/dbraw/zinc/18/17/65/136181765.db2.gz OUDKBXPXDLIPPD-UHFFFAOYSA-N 1 1 396.564 3.877 50 0 GHAAMO CC(=O)NCc1cc2n(n1)CCN(c1cc(-c3ccccc3)[nH+]c3ccccc31)C2 ZINC000426633877 526798853 /nfs/dbraw/zinc/79/88/53/526798853.db2.gz KYEUKLHZBLMIAM-UHFFFAOYSA-N 1 1 397.482 3.755 50 0 GHAAMO CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000048257177 570223941 /nfs/dbraw/zinc/22/39/41/570223941.db2.gz JSFBSZKXVLGGLI-IBGZPJMESA-N 1 1 380.492 3.740 50 0 GHAAMO C[NH+]1CCN(Cc2cccc(C(=O)c3ccc(Br)cc3F)c2)CC1 ZINC000022028053 570302651 /nfs/dbraw/zinc/30/26/51/570302651.db2.gz IOSIHNHVHWCVIP-UHFFFAOYSA-N 1 1 391.284 3.567 50 0 GHAAMO Cc1cc(-n2c(C)cc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)c2C)no1 ZINC000022840532 570330971 /nfs/dbraw/zinc/33/09/71/570330971.db2.gz VYVSZWPSOHHKOQ-FQEVSTJZSA-N 1 1 378.476 3.519 50 0 GHAAMO Cc1cc(-n2c(C)cc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)c2C)no1 ZINC000022840532 570330973 /nfs/dbraw/zinc/33/09/73/570330973.db2.gz VYVSZWPSOHHKOQ-FQEVSTJZSA-N 1 1 378.476 3.519 50 0 GHAAMO CC(=O)c1cc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)cs1 ZINC000022912108 570333862 /nfs/dbraw/zinc/33/38/62/570333862.db2.gz KWAVHCODKZCFIX-OAQYLSRUSA-N 1 1 383.561 3.737 50 0 GHAAMO O=C(CC[NH+]1CCN(Cc2ccc(Cl)s2)CC1)Nc1ccccc1F ZINC000022932463 570337232 /nfs/dbraw/zinc/33/72/32/570337232.db2.gz JWYKIJGIEDYAJQ-UHFFFAOYSA-N 1 1 381.904 3.687 50 0 GHAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)C1CC1)[N@H+](Cc1ccccc1C)CC2 ZINC000034857335 570341885 /nfs/dbraw/zinc/34/18/85/570341885.db2.gz WOPHFNOPBNYKRS-OAQYLSRUSA-N 1 1 394.515 3.638 50 0 GHAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)C1CC1)[N@@H+](Cc1ccccc1C)CC2 ZINC000034857335 570341887 /nfs/dbraw/zinc/34/18/87/570341887.db2.gz WOPHFNOPBNYKRS-OAQYLSRUSA-N 1 1 394.515 3.638 50 0 GHAAMO CC(C)(C)C[N@H+]1CCC[C@H]1c1ccc(C(=O)NCCN2CCCOC2=O)s1 ZINC000023214071 570350078 /nfs/dbraw/zinc/35/00/78/570350078.db2.gz HWFIAKMUUGYMGY-HNNXBMFYSA-N 1 1 393.553 3.503 50 0 GHAAMO Cc1c2ccccc2[nH]c1C[N@@H+]1CCN(Cc2ccccc2F)[C@@H](CCO)C1 ZINC000023359681 570356215 /nfs/dbraw/zinc/35/62/15/570356215.db2.gz WJFLAUYFDWBRCD-IBGZPJMESA-N 1 1 381.495 3.684 50 0 GHAAMO Cc1c2ccccc2[nH]c1C[N@H+]1CCN(Cc2ccccc2F)[C@@H](CCO)C1 ZINC000023359681 570356219 /nfs/dbraw/zinc/35/62/19/570356219.db2.gz WJFLAUYFDWBRCD-IBGZPJMESA-N 1 1 381.495 3.684 50 0 GHAAMO O=C1NC2(CC[NH+](Cc3ccccc3Cl)CC2)N=C1c1cccc(Cl)c1 ZINC000035430858 570357325 /nfs/dbraw/zinc/35/73/25/570357325.db2.gz UECPZXPJCZIQGV-UHFFFAOYSA-N 1 1 388.298 3.905 50 0 GHAAMO O=C1NC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)N=C1c1cccc(Cl)c1 ZINC000035430874 570357604 /nfs/dbraw/zinc/35/76/04/570357604.db2.gz OHOJPEBODISSIT-UHFFFAOYSA-N 1 1 388.298 3.905 50 0 GHAAMO COCCN(C)C(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(F)c2)s1 ZINC000023380029 570359410 /nfs/dbraw/zinc/35/94/10/570359410.db2.gz GGQCAUFPZCMRQI-KRWDZBQOSA-N 1 1 376.497 3.943 50 0 GHAAMO COCCN(C)C(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2cccc(F)c2)s1 ZINC000023380029 570359411 /nfs/dbraw/zinc/35/94/11/570359411.db2.gz GGQCAUFPZCMRQI-KRWDZBQOSA-N 1 1 376.497 3.943 50 0 GHAAMO FC(F)Sc1nc2ccccc2n1C[NH+]1CCN(c2ccccn2)CC1 ZINC000024060288 570377872 /nfs/dbraw/zinc/37/78/72/570377872.db2.gz YBGCEOSKNWKZQH-UHFFFAOYSA-N 1 1 375.448 3.526 50 0 GHAAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](C[C@@H](O)COC(C)(C)C)CC2 ZINC000024600995 570387145 /nfs/dbraw/zinc/38/71/45/570387145.db2.gz KTNAMCPZFFKBAY-XXBNENTESA-N 1 1 399.531 3.827 50 0 GHAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2cc(Br)ccc2[nH]1 ZINC000024843160 570396029 /nfs/dbraw/zinc/39/60/29/570396029.db2.gz YLSZCZUBFXXQNP-KRWDZBQOSA-N 1 1 398.304 3.935 50 0 GHAAMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000241317029 570431398 /nfs/dbraw/zinc/43/13/98/570431398.db2.gz LXFQLTIZBZXSHH-XLIONFOSSA-N 1 1 380.488 3.862 50 0 GHAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000241317029 570431400 /nfs/dbraw/zinc/43/14/00/570431400.db2.gz LXFQLTIZBZXSHH-XLIONFOSSA-N 1 1 380.488 3.862 50 0 GHAAMO Cc1ncsc1CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000241946754 570431874 /nfs/dbraw/zinc/43/18/74/570431874.db2.gz UNPZOZCQHYYOQZ-JKSUJKDBSA-N 1 1 398.450 3.848 50 0 GHAAMO COc1cc(C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C2CC2)cc(OC)c1 ZINC000036095125 570534467 /nfs/dbraw/zinc/53/44/67/570534467.db2.gz JYMYOHTUSGNTAV-GOSISDBHSA-N 1 1 391.895 3.762 50 0 GHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000011664794 570578530 /nfs/dbraw/zinc/57/85/30/570578530.db2.gz PWNPIDLCWGFYRS-SFHVURJKSA-N 1 1 380.536 3.622 50 0 GHAAMO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000011664794 570578534 /nfs/dbraw/zinc/57/85/34/570578534.db2.gz PWNPIDLCWGFYRS-SFHVURJKSA-N 1 1 380.536 3.622 50 0 GHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000011664794 570578536 /nfs/dbraw/zinc/57/85/36/570578536.db2.gz PWNPIDLCWGFYRS-SFHVURJKSA-N 1 1 380.536 3.622 50 0 GHAAMO Cc1ccc2c(CC(=O)N[C@@H]3CCC[N@H+](C4CCCCCC4)C3)cc(=O)oc2c1 ZINC000011818203 570585019 /nfs/dbraw/zinc/58/50/19/570585019.db2.gz NDGOOLZOPYHGBL-LJQANCHMSA-N 1 1 396.531 3.947 50 0 GHAAMO CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000225569670 570589257 /nfs/dbraw/zinc/58/92/57/570589257.db2.gz WOAGHHSXYIIMSR-GOSISDBHSA-N 1 1 378.476 3.711 50 0 GHAAMO Cc1ccccc1C[NH+]1CCC(CN(Cc2c[nH]cn2)C[C@@H]2CCCO2)CC1 ZINC000011936549 570594096 /nfs/dbraw/zinc/59/40/96/570594096.db2.gz UTFKQUXJHTZDHU-QHCPKHFHSA-N 1 1 382.552 3.611 50 0 GHAAMO Cn1cc(C[N@H+]2CCC[C@@H](CNC(=O)c3cccs3)C2)c(-c2ccccc2)n1 ZINC000012051251 570600842 /nfs/dbraw/zinc/60/08/42/570600842.db2.gz KNUPLUPXJCDMCF-KRWDZBQOSA-N 1 1 394.544 3.791 50 0 GHAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccncc1 ZINC000012205824 570626080 /nfs/dbraw/zinc/62/60/80/570626080.db2.gz ZGCRIZWEZDGDOY-HXUWFJFHSA-N 1 1 381.520 3.507 50 0 GHAAMO CCOC(=O)C1(Cc2ccccc2Cl)CC[NH+](Cc2cc(C)n[nH]2)CC1 ZINC000012301746 570636584 /nfs/dbraw/zinc/63/65/84/570636584.db2.gz BCLPMCKKRNPXQK-UHFFFAOYSA-N 1 1 375.900 3.760 50 0 GHAAMO c1ccc(CC[C@H]2CCCC[N@H+]2Cc2nc(-c3ccc4c(c3)OCO4)no2)nc1 ZINC000012308608 570640291 /nfs/dbraw/zinc/64/02/91/570640291.db2.gz QAIXIJHESMQMSJ-GOSISDBHSA-N 1 1 392.459 3.848 50 0 GHAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)CCC(F)(F)F)C1 ZINC000012315618 570641446 /nfs/dbraw/zinc/64/14/46/570641446.db2.gz PKYZQFQCFFIJDO-INIZCTEOSA-N 1 1 386.458 3.751 50 0 GHAAMO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000072313891 570652747 /nfs/dbraw/zinc/65/27/47/570652747.db2.gz NUONCDWWIZHTIW-AAEUAGOBSA-N 1 1 392.385 3.814 50 0 GHAAMO CCc1ccc(C[N@H+]2CCC[C@H](CNC(=O)c3cccc(OC)c3OC)C2)cc1 ZINC000012458193 570669637 /nfs/dbraw/zinc/66/96/37/570669637.db2.gz AUSJXNIBCMVLSP-HXUWFJFHSA-N 1 1 396.531 3.908 50 0 GHAAMO CC(C)c1ccc(-c2cc(C(=O)NN3CC[NH+](C)CC3)c3ccccc3n2)cc1 ZINC000004614562 570671098 /nfs/dbraw/zinc/67/10/98/570671098.db2.gz UJVXVFYZZYIRIW-UHFFFAOYSA-N 1 1 388.515 3.917 50 0 GHAAMO O=S(=O)(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Cl)cc(Cl)c1 ZINC000036396626 570680969 /nfs/dbraw/zinc/68/09/69/570680969.db2.gz AKFCZHJCLQMUGF-MRXNPFEDSA-N 1 1 385.316 3.546 50 0 GHAAMO O=S(=O)(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)cc(Cl)c1 ZINC000036396626 570680972 /nfs/dbraw/zinc/68/09/72/570680972.db2.gz AKFCZHJCLQMUGF-MRXNPFEDSA-N 1 1 385.316 3.546 50 0 GHAAMO COc1ccc(CC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c(OC)c1 ZINC000036397789 570682489 /nfs/dbraw/zinc/68/24/89/570682489.db2.gz AKUFQBOBSQPHMT-GOSISDBHSA-N 1 1 396.531 3.937 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@H]2c2ccccn2)c1OCCn1ccnc1 ZINC000055108947 570683613 /nfs/dbraw/zinc/68/36/13/570683613.db2.gz YZDHEXXZNIEIPS-FQEVSTJZSA-N 1 1 378.476 3.703 50 0 GHAAMO CC(C)c1cccc2c(O)c(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)cnc21 ZINC000526052606 570683660 /nfs/dbraw/zinc/68/36/60/570683660.db2.gz UBRKBSVIKOHDBK-OXQOHEQNSA-N 1 1 381.520 3.646 50 0 GHAAMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cc1 ZINC000012580243 570683814 /nfs/dbraw/zinc/68/38/14/570683814.db2.gz AKGSFGDXCAFDRC-IBGZPJMESA-N 1 1 390.487 3.732 50 0 GHAAMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000036408816 570692156 /nfs/dbraw/zinc/69/21/56/570692156.db2.gz VQRYHCJLMISQRB-OALUTQOASA-N 1 1 379.504 3.981 50 0 GHAAMO O=C(CC[N@@H+]1CC[C@H](c2ccccc2Cl)C1)Nc1nnc(C2CC2)s1 ZINC000244718927 570695263 /nfs/dbraw/zinc/69/52/63/570695263.db2.gz LTMBQGLQEDVLDI-ZDUSSCGKSA-N 1 1 376.913 3.887 50 0 GHAAMO Cn1cccc1-c1noc(C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)n1 ZINC000169783484 570695994 /nfs/dbraw/zinc/69/59/94/570695994.db2.gz AHNLSUBMRPVELZ-UHFFFAOYSA-N 1 1 390.447 3.505 50 0 GHAAMO CCc1noc(C)c1C(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000012712914 570703255 /nfs/dbraw/zinc/70/32/55/570703255.db2.gz NMJQQGXGXFTKGI-GOSISDBHSA-N 1 1 387.499 3.711 50 0 GHAAMO CCc1noc(-c2cccnc2N2CCC[N@@H+](Cc3ccccc3F)CC2)n1 ZINC000065257899 570758936 /nfs/dbraw/zinc/75/89/36/570758936.db2.gz CJEVYIVGPXDFKX-UHFFFAOYSA-N 1 1 381.455 3.545 50 0 GHAAMO CN(C)C(=O)c1ccc(C[N@H+]2CC=C(c3cnn(Cc4ccccc4)c3)CC2)o1 ZINC000065429366 570768601 /nfs/dbraw/zinc/76/86/01/570768601.db2.gz SSTUZYSBEIHWIX-UHFFFAOYSA-N 1 1 390.487 3.516 50 0 GHAAMO CN(C)C(=O)c1ccc(C[N@@H+]2CC=C(c3cnn(Cc4ccccc4)c3)CC2)o1 ZINC000065429366 570768605 /nfs/dbraw/zinc/76/86/05/570768605.db2.gz SSTUZYSBEIHWIX-UHFFFAOYSA-N 1 1 390.487 3.516 50 0 GHAAMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)c3cccnc23)cc1 ZINC000052715195 570791316 /nfs/dbraw/zinc/79/13/16/570791316.db2.gz AACZXJAFSYDGHF-HXUWFJFHSA-N 1 1 379.435 3.986 50 0 GHAAMO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)c3cccnc23)cc1 ZINC000052715195 570791320 /nfs/dbraw/zinc/79/13/20/570791320.db2.gz AACZXJAFSYDGHF-HXUWFJFHSA-N 1 1 379.435 3.986 50 0 GHAAMO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000032754403 570797336 /nfs/dbraw/zinc/79/73/36/570797336.db2.gz LXIMRLMMRNTMLW-QFIPXVFZSA-N 1 1 379.504 3.607 50 0 GHAAMO C[NH+]1CCN(C(=O)Cc2c3ccccc3[nH]c2Sc2cccc(F)c2)CC1 ZINC000033116307 570813959 /nfs/dbraw/zinc/81/39/59/570813959.db2.gz LHNPZWGMLZGLRO-UHFFFAOYSA-N 1 1 383.492 3.775 50 0 GHAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccc([S@](C)=O)cc1 ZINC000170591236 570849903 /nfs/dbraw/zinc/84/99/03/570849903.db2.gz IJCFERMCMGJBOB-YJRQDOMCSA-N 1 1 385.533 3.551 50 0 GHAAMO O=C([C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCCC1 ZINC000012578487 570876810 /nfs/dbraw/zinc/87/68/10/570876810.db2.gz PCWMSKBMADUVAS-NFBKMPQASA-N 1 1 392.499 3.958 50 0 GHAAMO Cc1[nH+]c2cc3c(cc2n1C[C@@H](O)c1ccc(OC(F)(F)F)cc1)OCCO3 ZINC000051288732 570891904 /nfs/dbraw/zinc/89/19/04/570891904.db2.gz ZMTJKWOOPVPVMR-MRXNPFEDSA-N 1 1 394.349 3.748 50 0 GHAAMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000104649668 570900938 /nfs/dbraw/zinc/90/09/38/570900938.db2.gz UHYIAKMAELRXKH-CXAGYDPISA-N 1 1 393.430 3.609 50 0 GHAAMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000104649668 570900940 /nfs/dbraw/zinc/90/09/40/570900940.db2.gz UHYIAKMAELRXKH-CXAGYDPISA-N 1 1 393.430 3.609 50 0 GHAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(c2cccc(O)c2)CC1 ZINC000534632199 570910375 /nfs/dbraw/zinc/91/03/75/570910375.db2.gz OOMHSAAVNMCNOQ-NRFANRHFSA-N 1 1 379.504 3.556 50 0 GHAAMO CCOc1ccc(Cl)cc1CN(C)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000534639277 570912677 /nfs/dbraw/zinc/91/26/77/570912677.db2.gz XZELDQNOGGQPAP-INIZCTEOSA-N 1 1 379.888 3.776 50 0 GHAAMO CC1=C2C[C@@H]3[C@H](C[N@@H+](C)C[C@@H](O)c4ccc(O)cc4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000105373609 570922748 /nfs/dbraw/zinc/92/27/48/570922748.db2.gz DNZIKYSLYLRNLJ-MMUOCADFSA-N 1 1 399.531 3.816 50 0 biogenic GHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@@H]32)C1 ZINC000105369623 570922835 /nfs/dbraw/zinc/92/28/35/570922835.db2.gz SBBCQMGYCCNVDO-UGLIKIROSA-N 1 1 389.536 3.720 50 0 biogenic GHAAMO Cc1ccc2c(c1)-c1onc(C(=O)NCCC[N@H+](C)Cc3ccccc3)c1CO2 ZINC000032920425 570933017 /nfs/dbraw/zinc/93/30/17/570933017.db2.gz RDCSADDEFNYTSX-UHFFFAOYSA-N 1 1 391.471 3.794 50 0 GHAAMO CC(C)C(=O)N[C@H](C)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023181418 570944257 /nfs/dbraw/zinc/94/42/57/570944257.db2.gz RWGLNYQBGNIIPC-OXQOHEQNSA-N 1 1 389.540 3.911 50 0 GHAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2c3ccccc3C[C@H]2C)c(OC)c1 ZINC000252444224 570957590 /nfs/dbraw/zinc/95/75/90/570957590.db2.gz VWEANBTXIRWGNR-IERDGZPVSA-N 1 1 380.488 3.819 50 0 GHAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2c3ccccc3C[C@H]2C)c(OC)c1 ZINC000252444224 570957592 /nfs/dbraw/zinc/95/75/92/570957592.db2.gz VWEANBTXIRWGNR-IERDGZPVSA-N 1 1 380.488 3.819 50 0 GHAAMO COc1cccc(CN2CCC[C@]3(CC[N@@H+](Cc4ccc(F)cc4)C3)C2=O)c1 ZINC000012714664 570967459 /nfs/dbraw/zinc/96/74/59/570967459.db2.gz DNJKIIVTGBCFNZ-HSZRJFAPSA-N 1 1 382.479 3.849 50 0 GHAAMO CCC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2nc(C(C)(C)C)sc2n1 ZINC000046032212 571013606 /nfs/dbraw/zinc/01/36/06/571013606.db2.gz IHPCUPADIOKYPS-UHFFFAOYSA-N 1 1 388.512 4.000 50 0 GHAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccccc2Cl)c(OC)c1 ZINC000007719589 571020709 /nfs/dbraw/zinc/02/07/09/571020709.db2.gz YCCAXQUNHAJKJU-IBGZPJMESA-N 1 1 388.895 3.811 50 0 GHAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCc2ccccc2Cl)c(OC)c1 ZINC000007719589 571020712 /nfs/dbraw/zinc/02/07/12/571020712.db2.gz YCCAXQUNHAJKJU-IBGZPJMESA-N 1 1 388.895 3.811 50 0 GHAAMO C[C@@H]1C[N@H+](CCCCOc2ccc(I)cc2)C[C@H](C)O1 ZINC000016247424 571045983 /nfs/dbraw/zinc/04/59/83/571045983.db2.gz RLYSFUFLEUQWFN-OKILXGFUSA-N 1 1 389.277 3.559 50 0 GHAAMO COCc1cc(CN2CCC[C@H]([N@H+]3CCc4ccccc4C3)C2)ccc1OC ZINC000023361225 836745219 /nfs/dbraw/zinc/74/52/19/836745219.db2.gz XRPGIDUCVSFZCC-QHCPKHFHSA-N 1 1 380.532 3.864 50 0 GHAAMO COCc1cc(C[N@@H+]2CCC[C@H](N3CCc4ccccc4C3)C2)ccc1OC ZINC000023361225 836745229 /nfs/dbraw/zinc/74/52/29/836745229.db2.gz XRPGIDUCVSFZCC-QHCPKHFHSA-N 1 1 380.532 3.864 50 0 GHAAMO COCc1cc(C[N@H+]2CCC[C@H](N3CCc4ccccc4C3)C2)ccc1OC ZINC000023361225 836745232 /nfs/dbraw/zinc/74/52/32/836745232.db2.gz XRPGIDUCVSFZCC-QHCPKHFHSA-N 1 1 380.532 3.864 50 0 GHAAMO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2sccc2C(N)=O)c2cccs2)cc1 ZINC000057471043 862112020 /nfs/dbraw/zinc/11/20/20/862112020.db2.gz DMSSMTMVNBACSC-QGZVFWFLSA-N 1 1 385.514 3.535 50 0 GHAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3c(F)cccc3F)[N@@H+]3CCC[C@@]23C1=O ZINC000012438338 862368192 /nfs/dbraw/zinc/36/81/92/862368192.db2.gz QAVHHLZESAGVGF-NVVBAYIOSA-N 1 1 398.453 3.911 50 0 GHAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3c(F)cccc3F)[N@H+]3CCC[C@@]23C1=O ZINC000012438338 862368208 /nfs/dbraw/zinc/36/82/08/862368208.db2.gz QAVHHLZESAGVGF-NVVBAYIOSA-N 1 1 398.453 3.911 50 0 GHAAMO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1CCC2(CC1)OCCO2 ZINC000040071636 856648898 /nfs/dbraw/zinc/64/88/98/856648898.db2.gz AZUFZEXAECYXBJ-LBPRGKRZSA-N 1 1 383.370 3.655 50 0 GHAAMO C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000008938321 856663569 /nfs/dbraw/zinc/66/35/69/856663569.db2.gz WXATZSMUULWRAJ-CQSZACIVSA-N 1 1 395.906 3.531 50 0 GHAAMO CSc1nccn1-c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000040135712 856677532 /nfs/dbraw/zinc/67/75/32/856677532.db2.gz ZPYILUHOROLARM-IBGZPJMESA-N 1 1 392.528 3.599 50 0 GHAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)NCc2ccc(C)c(F)c2)c1 ZINC000010130558 857408862 /nfs/dbraw/zinc/40/88/62/857408862.db2.gz ISFDLYNJCMXUDS-HXUWFJFHSA-N 1 1 386.467 3.605 50 0 GHAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)NCc2ccc(C)c(F)c2)c1 ZINC000010130558 857408871 /nfs/dbraw/zinc/40/88/71/857408871.db2.gz ISFDLYNJCMXUDS-HXUWFJFHSA-N 1 1 386.467 3.605 50 0 GHAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccccc3F)[N@H+]3CCC[C@@]23C1=O ZINC000011817549 857428500 /nfs/dbraw/zinc/42/85/00/857428500.db2.gz YTMYNZDNJJIQIK-NYDSKATKSA-N 1 1 380.463 3.772 50 0 GHAAMO COc1cccc(C[N@H+]2CCCCCNC(=O)C[C@@H]2c2ccccc2)c1OC ZINC000257181305 859583894 /nfs/dbraw/zinc/58/38/94/859583894.db2.gz MULSSWGPPQCBQT-HXUWFJFHSA-N 1 1 382.504 3.937 50 0 GHAAMO O=C(c1ccccc1OC[C@@H]1CCC[N@@H+](Cc2ccccn2)C1)N1CCCC1 ZINC000169765229 859746076 /nfs/dbraw/zinc/74/60/76/859746076.db2.gz MENBGOYGZQOIFV-LJQANCHMSA-N 1 1 379.504 3.609 50 0 GHAAMO CC[N@@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)[C@H]1CCOC(C)(C)C1 ZINC000377684165 859811942 /nfs/dbraw/zinc/81/19/42/859811942.db2.gz VXUHCMXXORHIRL-AWEZNQCLSA-N 1 1 375.469 3.533 50 0 GHAAMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)Cc2coc3ccccc23)C1 ZINC000803100507 859970109 /nfs/dbraw/zinc/97/01/09/859970109.db2.gz 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386.499 3.902 50 0 GHAAMO COc1ccc(C[NH+]2CCN(c3ncnc4sc(C)c(C)c43)CC2)cc1OC ZINC000022813530 570329856 /nfs/dbraw/zinc/32/98/56/570329856.db2.gz MAYCQOXJQXQREB-UHFFFAOYSA-N 1 1 398.532 3.648 50 0 GHAAMO O=C(CN1CCC[N@@H+](Cc2ccccc2)CC1)Nc1ccc(F)cc1Cl ZINC000022932632 570337593 /nfs/dbraw/zinc/33/75/93/570337593.db2.gz PPRLHVPPVYVBKU-UHFFFAOYSA-N 1 1 375.875 3.626 50 0 GHAAMO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000024828977 570342058 /nfs/dbraw/zinc/34/20/58/570342058.db2.gz JVTITTFEAPWZAA-YQVWRLOYSA-N 1 1 397.494 3.742 50 0 GHAAMO C[C@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000004894035 570358313 /nfs/dbraw/zinc/35/83/13/570358313.db2.gz MYXPDTPCJBCDEH-LBPRGKRZSA-N 1 1 381.461 3.553 50 0 GHAAMO O=c1[nH]c(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)nc2ccccc21 ZINC000023873073 570374551 /nfs/dbraw/zinc/37/45/51/570374551.db2.gz PZKLEXQYSFLLSQ-CQSZACIVSA-N 1 1 376.485 3.912 50 0 GHAAMO O=c1[nH]c(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)nc2ccccc21 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XTEYHIWCSMHMAS-INIZCTEOSA-N 1 1 397.910 3.584 50 0 GHAAMO c1cc(C[N@H+]2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)n(-c2cccnc2)c1 ZINC000011937397 570594580 /nfs/dbraw/zinc/59/45/80/570594580.db2.gz IJHFCIRIYGOJFV-IBGZPJMESA-N 1 1 390.487 3.720 50 0 GHAAMO CCNc1nc(C)c(C(=O)N(C)[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)s1 ZINC000011997006 570597204 /nfs/dbraw/zinc/59/72/04/570597204.db2.gz SAGPLZVRWTWMGM-SFHVURJKSA-N 1 1 398.576 3.587 50 0 GHAAMO CCCn1c(C)c(CC(=O)NC[C@@H]2CCCC[N@H+]2C)c2c1CC(C)(C)CC2=O ZINC000012023021 570598745 /nfs/dbraw/zinc/59/87/45/570598745.db2.gz ZPTHDUAOVSTJBQ-KRWDZBQOSA-N 1 1 387.568 3.505 50 0 GHAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)CC1 ZINC000012049812 570600832 /nfs/dbraw/zinc/60/08/32/570600832.db2.gz QWJSOXKQHWJWRI-MRXNPFEDSA-N 1 1 378.900 3.856 50 0 GHAAMO Cc1noc(C)c1CC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccccc2C)C1 ZINC000012204478 570625482 /nfs/dbraw/zinc/62/54/82/570625482.db2.gz LOYQPUWDINYFMI-HXUWFJFHSA-N 1 1 383.536 3.555 50 0 GHAAMO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C(=O)c3cccnc3)C2)c(F)c1 ZINC000012204535 570625532 /nfs/dbraw/zinc/62/55/32/570625532.db2.gz KNHIFMIIGMBUDH-MRXNPFEDSA-N 1 1 394.450 3.714 50 0 GHAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C(=O)c3cccnc3)C2)c(F)c1 ZINC000012204535 570625536 /nfs/dbraw/zinc/62/55/36/570625536.db2.gz KNHIFMIIGMBUDH-MRXNPFEDSA-N 1 1 394.450 3.714 50 0 GHAAMO COc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccc4nsnc4c3)C2)cc1OC ZINC000012318342 570642118 /nfs/dbraw/zinc/64/21/18/570642118.db2.gz RYVMKYJLBKWRFO-MRXNPFEDSA-N 1 1 384.505 3.785 50 0 GHAAMO O=C(c1csc2nc(-c3ccccc3Cl)cn12)N1CC[N@H+]2CCC[C@H]2C1 ZINC000012430827 570659024 /nfs/dbraw/zinc/65/90/24/570659024.db2.gz GTAUAXBSSNIHSY-ZDUSSCGKSA-N 1 1 386.908 3.636 50 0 GHAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccn2)C1)c1cccc(C(F)(F)F)c1 ZINC000012434813 570661647 /nfs/dbraw/zinc/66/16/47/570661647.db2.gz QUWOKSOZQYNLBS-HNNXBMFYSA-N 1 1 377.410 3.742 50 0 GHAAMO COc1ccc(-c2n[nH]cc2C[N@@H+](Cc2c(C)nn(C)c2C)C(C)C)c(OC)c1 ZINC000012446544 570666530 /nfs/dbraw/zinc/66/65/30/570666530.db2.gz GTIFNHJQPKYKAJ-UHFFFAOYSA-N 1 1 397.523 3.855 50 0 GHAAMO CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCC[N@@H+](Cc2cnn(CC)c2)C1 ZINC000012579473 570683213 /nfs/dbraw/zinc/68/32/13/570683213.db2.gz WVAMUFPAQCTYQG-NRFANRHFSA-N 1 1 389.927 3.944 50 0 GHAAMO CCOc1cccc(N2CC[NH+](CCNC(=O)Nc3ccc(C)cc3)CC2)c1C ZINC000055549755 570696817 /nfs/dbraw/zinc/69/68/17/570696817.db2.gz NLPWXODJMKYLFH-UHFFFAOYSA-N 1 1 396.535 3.646 50 0 GHAAMO C[N@H+](Cc1ccccc1)C[C@H](O)CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000060368083 570703112 /nfs/dbraw/zinc/70/31/12/570703112.db2.gz SELRWDJCXWOIET-FQEVSTJZSA-N 1 1 394.544 3.730 50 0 GHAAMO CCOC(=O)c1sc2[nH]c([C@@H](C)[NH2+]C3CCCCCC3)nc(=O)c2c1C ZINC000058158067 570711859 /nfs/dbraw/zinc/71/18/59/570711859.db2.gz QDPZHAJCOKJCDF-GFCCVEGCSA-N 1 1 377.510 3.843 50 0 GHAAMO Cc1ccc(-n2ncc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)c2-n2cccc2)cc1 ZINC000006939705 570713314 /nfs/dbraw/zinc/71/33/14/570713314.db2.gz KTBYYZPEDRTCRI-LJQANCHMSA-N 1 1 391.519 3.576 50 0 GHAAMO O=c1cc(C[N@H+]2CCC[C@@H]2c2cccs2)nc2ccc(Br)cn12 ZINC000058169908 570714807 /nfs/dbraw/zinc/71/48/07/570714807.db2.gz DPIHSKRDLATMBA-CQSZACIVSA-N 1 1 390.306 3.856 50 0 GHAAMO OCC[N@H+]1CCC[C@H](Cn2cnc(-c3ccccc3)c2-c2cccc(O)c2)C1 ZINC000065371646 570761535 /nfs/dbraw/zinc/76/15/35/570761535.db2.gz ASFUDXOVNXKHAZ-SFHVURJKSA-N 1 1 377.488 3.627 50 0 GHAAMO COc1ccc(-c2cc(N3CC[NH+](C/C=C/c4ccccc4)CC3)ncn2)cc1 ZINC000036708977 570797852 /nfs/dbraw/zinc/79/78/52/570797852.db2.gz RQYAGQFDOBHBFB-VMPITWQZSA-N 1 1 386.499 3.988 50 0 GHAAMO Cc1c(Cl)cccc1NC(=O)c1nc2ccccc2nc1N1CC[NH+](C)CC1 ZINC000033086064 570808076 /nfs/dbraw/zinc/80/80/76/570808076.db2.gz CLVDXGWJGMACBM-UHFFFAOYSA-N 1 1 395.894 3.596 50 0 GHAAMO COC(=O)c1sc2[nH]c(C[N@H+](C)[C@H]3CCCc4ccccc43)nc(=O)c2c1C ZINC000007327932 570829629 /nfs/dbraw/zinc/82/96/29/570829629.db2.gz VEYLLISGSPRLRO-HNNXBMFYSA-N 1 1 397.500 3.589 50 0 GHAAMO COC(=O)c1sc2[nH]c(C[N@@H+](C)[C@H]3CCCc4ccccc43)nc(=O)c2c1C ZINC000007327932 570829632 /nfs/dbraw/zinc/82/96/32/570829632.db2.gz VEYLLISGSPRLRO-HNNXBMFYSA-N 1 1 397.500 3.589 50 0 GHAAMO C[C@H](NC(=O)C[NH2+][C@@H](C[S@](C)=O)c1ccccc1)c1cccc2ccccc21 ZINC000170591793 570850205 /nfs/dbraw/zinc/85/02/05/570850205.db2.gz FCMQYQPWECFJKK-BZWCRFLISA-N 1 1 394.540 3.726 50 0 GHAAMO CC(C)OCCCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000004548035 570857487 /nfs/dbraw/zinc/85/74/87/570857487.db2.gz MMZNLJMLXJLYKY-UHFFFAOYSA-N 1 1 397.357 3.592 50 0 GHAAMO CCN(CCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)CCC(F)(F)F ZINC000170613047 570870902 /nfs/dbraw/zinc/87/09/02/570870902.db2.gz YDAAGJLRUBTXSO-UHFFFAOYSA-N 1 1 387.490 3.921 50 0 GHAAMO CCN(CCNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1)CCC(F)(F)F ZINC000170613047 570870907 /nfs/dbraw/zinc/87/09/07/570870907.db2.gz YDAAGJLRUBTXSO-UHFFFAOYSA-N 1 1 387.490 3.921 50 0 GHAAMO COc1ccc(OC)c([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)c1 ZINC000004555307 570882094 /nfs/dbraw/zinc/88/20/94/570882094.db2.gz WPFNSCVYCIURTH-SFHVURJKSA-N 1 1 387.505 3.961 50 0 GHAAMO O=C(COc1ccc(Cl)cc1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000032900410 570894566 /nfs/dbraw/zinc/89/45/66/570894566.db2.gz SFMKDRSYAKWVSG-UHFFFAOYSA-N 1 1 395.890 3.611 50 0 GHAAMO O=C(c1ccc(Br)cc1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000032914664 570924987 /nfs/dbraw/zinc/92/49/87/570924987.db2.gz VZNOJIDKKQOYPI-UHFFFAOYSA-N 1 1 379.323 3.859 50 0 GHAAMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(C)c1 ZINC000012789535 570948240 /nfs/dbraw/zinc/94/82/40/570948240.db2.gz GSKKRJJBXKWQFI-RBUKOAKNSA-N 1 1 379.504 3.981 50 0 GHAAMO C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(C[N@@H+]2CCC[C@H]2c2ccccc2)C1=O ZINC000252444220 570957622 /nfs/dbraw/zinc/95/76/22/570957622.db2.gz UCAWZUYTWHUKIA-RXVVDRJESA-N 1 1 385.414 3.526 50 0 GHAAMO C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(C[N@H+]2CCC[C@H]2c2ccccc2)C1=O ZINC000252444220 570957624 /nfs/dbraw/zinc/95/76/24/570957624.db2.gz UCAWZUYTWHUKIA-RXVVDRJESA-N 1 1 385.414 3.526 50 0 GHAAMO O=C(CCc1ncc(-c2ccc(F)cc2)o1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012731714 570975851 /nfs/dbraw/zinc/97/58/51/570975851.db2.gz WTFMRMNWECCQTD-FQEVSTJZSA-N 1 1 393.462 3.804 50 0 GHAAMO C[C@@H]1CN([C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000108176497 570984999 /nfs/dbraw/zinc/98/49/99/570984999.db2.gz VGIRGANCIPHTAP-QKNQBKEWSA-N 1 1 387.568 3.633 50 0 GHAAMO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012772789 571026436 /nfs/dbraw/zinc/02/64/36/571026436.db2.gz DIQGLBXISJTZFZ-LJQANCHMSA-N 1 1 393.531 3.659 50 0 GHAAMO CCOC(=O)C1([N@H+](C)Cc2ccc(OCc3nccn3C)cc2)CCCCC1 ZINC000084791221 571038046 /nfs/dbraw/zinc/03/80/46/571038046.db2.gz SUAHXHVKKQJBSH-UHFFFAOYSA-N 1 1 385.508 3.697 50 0 GHAAMO CCOC(=O)C1([N@@H+](C)Cc2ccc(OCc3nccn3C)cc2)CCCCC1 ZINC000084791221 571038048 /nfs/dbraw/zinc/03/80/48/571038048.db2.gz SUAHXHVKKQJBSH-UHFFFAOYSA-N 1 1 385.508 3.697 50 0 GHAAMO CCOc1cccc(C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c1OC(F)F ZINC000194927103 836527885 /nfs/dbraw/zinc/52/78/85/836527885.db2.gz XRXNQDHBMDCXSN-CQSZACIVSA-N 1 1 396.438 3.515 50 0 GHAAMO C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000023375332 836833721 /nfs/dbraw/zinc/83/37/21/836833721.db2.gz XXJGUQKDRIMAEE-OAQYLSRUSA-N 1 1 376.504 3.876 50 0 GHAAMO C[N@@H+](CCc1ccccc1)[C@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000023375334 836834029 /nfs/dbraw/zinc/83/40/29/836834029.db2.gz XXJGUQKDRIMAEE-NRFANRHFSA-N 1 1 376.504 3.876 50 0 GHAAMO CC(=O)N1C[C@@H]2CCC[N@H+]3CCC[C@H]([C@H]1CCCC(=O)Nc1ccccc1)[C@H]23 ZINC000257185512 838863336 /nfs/dbraw/zinc/86/33/36/838863336.db2.gz JNSMJAAZVHKZDO-NQAVQENRSA-N 1 1 383.536 3.517 50 0 GHAAMO Cc1cccc(OCCc2noc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000257189435 838930448 /nfs/dbraw/zinc/93/04/48/838930448.db2.gz ISERTXYFKHHSLD-GOSISDBHSA-N 1 1 378.476 3.774 50 0 GHAAMO COc1cc2c(cc1F)nccc2N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000289656275 839560687 /nfs/dbraw/zinc/56/06/87/839560687.db2.gz ODUONUVZUJKKMJ-QGZVFWFLSA-N 1 1 380.467 3.736 50 0 GHAAMO COc1cc2c(cc1F)nccc2N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000289656275 839560696 /nfs/dbraw/zinc/56/06/96/839560696.db2.gz ODUONUVZUJKKMJ-QGZVFWFLSA-N 1 1 380.467 3.736 50 0 GHAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3)[C@H](c3nc(C)no3)C2)s1 ZINC000675022510 840922418 /nfs/dbraw/zinc/92/24/18/840922418.db2.gz OPYFGUPORYLXDI-IBGZPJMESA-N 1 1 396.516 3.837 50 0 GHAAMO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000584899260 841183683 /nfs/dbraw/zinc/18/36/83/841183683.db2.gz VYJQTAGFCJDNLM-UHFFFAOYSA-N 1 1 377.492 3.500 50 0 GHAAMO CC(C)Cc1cc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCC3)cc2)no1 ZINC000821483371 862379923 /nfs/dbraw/zinc/37/99/23/862379923.db2.gz OOPFXLOMKFRPKQ-UHFFFAOYSA-N 1 1 384.480 3.550 50 0 GHAAMO COc1ccc(OC)c(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC000012457050 862531547 /nfs/dbraw/zinc/53/15/47/862531547.db2.gz OTZFXFUPRLWSSO-QGZVFWFLSA-N 1 1 386.467 3.580 50 0 GHAAMO COc1ccc(OC)c(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC000012457050 862531555 /nfs/dbraw/zinc/53/15/55/862531555.db2.gz OTZFXFUPRLWSSO-QGZVFWFLSA-N 1 1 386.467 3.580 50 0 GHAAMO C[C@H]1c2ccccc2C=C1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000253418144 855093628 /nfs/dbraw/zinc/09/36/28/855093628.db2.gz QHUMZJKTHROXNX-LPHOPBHVSA-N 1 1 389.499 3.523 50 0 GHAAMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000583070400 855573187 /nfs/dbraw/zinc/57/31/87/855573187.db2.gz BGGMHQUQIQWISV-UZMCECQYSA-N 1 1 381.398 3.909 50 0 GHAAMO C[C@@H]1CCC[N@@H+](CCOc2ccccc2CN2CCN(c3cccnc3)CC2)C1 ZINC000822413187 862711876 /nfs/dbraw/zinc/71/18/76/862711876.db2.gz RPXXCPUVEFVAQQ-OAQYLSRUSA-N 1 1 394.563 3.515 50 0 GHAAMO Clc1cc(Cl)cc(OCC[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000120358292 862741170 /nfs/dbraw/zinc/74/11/70/862741170.db2.gz YNYRBGCYFPFTCX-CYBMUJFWSA-N 1 1 381.307 3.790 50 0 GHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)C1 ZINC000004084044 862765319 /nfs/dbraw/zinc/76/53/19/862765319.db2.gz XQDHJGCDKQBSMO-CPJZWETASA-N 1 1 389.536 3.576 50 0 biogenic GHAAMO CCc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)c3cc(OC)cc(OC)c3)C2)cc1 ZINC000012507447 856329024 /nfs/dbraw/zinc/32/90/24/856329024.db2.gz LHJJEOSRAZYJIC-FQEVSTJZSA-N 1 1 396.531 3.908 50 0 GHAAMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)CCOc1ccccc1F ZINC000008852619 856386469 /nfs/dbraw/zinc/38/64/69/856386469.db2.gz VNMGQAFGTMNKOY-CYBMUJFWSA-N 1 1 380.847 3.826 50 0 GHAAMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)CCOc1ccccc1F ZINC000008852619 856386480 /nfs/dbraw/zinc/38/64/80/856386480.db2.gz VNMGQAFGTMNKOY-CYBMUJFWSA-N 1 1 380.847 3.826 50 0 GHAAMO Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000040012770 856627462 /nfs/dbraw/zinc/62/74/62/856627462.db2.gz DHUKJEWOAWQZSK-FQEVSTJZSA-N 1 1 390.959 3.771 50 0 GHAAMO COc1ccccc1OCC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000040107103 856664300 /nfs/dbraw/zinc/66/43/00/856664300.db2.gz OAFHPRJXJFRPLN-GOSISDBHSA-N 1 1 382.504 3.622 50 0 GHAAMO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1ccc[nH]c1=S ZINC000040112628 856667314 /nfs/dbraw/zinc/66/73/14/856667314.db2.gz NOHHMRADMFPJPE-GOSISDBHSA-N 1 1 395.553 3.961 50 0 GHAAMO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1ccc[nH]c1=S ZINC000040112628 856667319 /nfs/dbraw/zinc/66/73/19/856667319.db2.gz NOHHMRADMFPJPE-GOSISDBHSA-N 1 1 395.553 3.961 50 0 GHAAMO Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+](C[C@H]3CCOC3)C3CC3)cc2)cc1 ZINC000040154183 856684907 /nfs/dbraw/zinc/68/49/07/856684907.db2.gz KWOSWERKBMBQJO-LJQANCHMSA-N 1 1 385.529 3.829 50 0 GHAAMO C[C@@H]1CN(C(=O)[C@H]2CC23CC[NH+](Cc2c(F)cccc2Cl)CC3)C[C@H](C)O1 ZINC000011787846 857356426 /nfs/dbraw/zinc/35/64/26/857356426.db2.gz KPZFTLJIZPSJIG-HLLBOEOZSA-N 1 1 394.918 3.717 50 0 GHAAMO Cc1cccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3=O)n1 ZINC000011820542 857422823 /nfs/dbraw/zinc/42/28/23/857422823.db2.gz CXDKDYRYEZIQHX-QFIPXVFZSA-N 1 1 385.458 3.683 50 0 GHAAMO Cc1cccc(C)c1NC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000010340585 857442855 /nfs/dbraw/zinc/44/28/55/857442855.db2.gz OJKXLLZVFWRYDI-HXUWFJFHSA-N 1 1 379.504 3.537 50 0 GHAAMO O=C1N(C2CCCC2)C[C@@H]2C[C@@H](c3cnn(-c4cccc(F)c4)c3)[N@@H+]3CCC[C@@]123 ZINC000011951515 858273723 /nfs/dbraw/zinc/27/37/23/858273723.db2.gz MOSVNNOYIUMEBV-HYVJGQCMSA-N 1 1 394.494 3.692 50 0 GHAAMO Cc1ccn(CCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)n1 ZINC000012225506 859390400 /nfs/dbraw/zinc/39/04/00/859390400.db2.gz CVHPEUAFVXDSOL-QHCPKHFHSA-N 1 1 386.584 3.867 50 0 GHAAMO O=S(=O)(NCC[NH+]1CCC(c2cccs2)CC1)c1ccccc1Cl ZINC000077104152 859509180 /nfs/dbraw/zinc/50/91/80/859509180.db2.gz RZXUNEZOFWFOEO-UHFFFAOYSA-N 1 1 384.954 3.559 50 0 GHAAMO Cn1cc(CCC(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)cn1 ZINC000012314505 859886659 /nfs/dbraw/zinc/88/66/59/859886659.db2.gz OGXVRCXORVLOJB-HSZRJFAPSA-N 1 1 386.584 3.638 50 0 GHAAMO Cc1[nH]nc2ncc(NC(=O)[C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)cc12 ZINC000095993151 860737000 /nfs/dbraw/zinc/73/70/00/860737000.db2.gz XXMWIGFKHCDIET-OAHLLOKOSA-N 1 1 378.480 3.712 50 0 GHAAMO O=C(Nc1cccc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1)c1ccsc1 ZINC000096116507 860786942 /nfs/dbraw/zinc/78/69/42/860786942.db2.gz VJSOHTYEVKPCBI-FXAWDEMLSA-N 1 1 397.544 3.995 50 0 biogenic GHAAMO COc1cc(C)c(NC(=O)N(C)[C@H]2CCC[C@H]2[N@H+]2CC[C@H](OC)C2)c(C)c1C ZINC000626564612 864467242 /nfs/dbraw/zinc/46/72/42/864467242.db2.gz SZDCEJVVAQNXGQ-GBESFXJTSA-N 1 1 389.540 3.726 50 0 GHAAMO O=C(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000184495397 864600477 /nfs/dbraw/zinc/60/04/77/864600477.db2.gz DPQFLHSBWSSNFZ-CYBMUJFWSA-N 1 1 390.833 3.543 50 0 GHAAMO Cc1cccc(OCCc2noc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000575316982 865991584 /nfs/dbraw/zinc/99/15/84/865991584.db2.gz KWMBPPWSVHMQCR-LJQANCHMSA-N 1 1 378.476 3.774 50 0 GHAAMO O=C(C1CCOCC1)N1CCC([N@H+]2CC3(CCCCC3)[C@@H]2c2ccncc2)CC1 ZINC000581803756 870022635 /nfs/dbraw/zinc/02/26/35/870022635.db2.gz YAPNQQBQXOSYJK-QFIPXVFZSA-N 1 1 397.563 3.806 50 0 GHAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000152311388 877680490 /nfs/dbraw/zinc/68/04/90/877680490.db2.gz DODDKMWCXRITSM-FQEVSTJZSA-N 1 1 396.535 3.540 50 0 GHAAMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000175263573 883541197 /nfs/dbraw/zinc/54/11/97/883541197.db2.gz QOPRRHUASWUUAC-ZDUSSCGKSA-N 1 1 388.924 3.804 50 0 GHAAMO CCc1nc(-c2ccccc2NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)n[nH]1 ZINC000179310191 892065320 /nfs/dbraw/zinc/06/53/20/892065320.db2.gz DGPDNRGKYOEFBG-UHFFFAOYSA-N 1 1 390.491 3.593 50 0 GHAAMO O[C@@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000952846307 904628119 /nfs/dbraw/zinc/62/81/19/904628119.db2.gz YVZIRVXKOQAWFN-IBGZPJMESA-N 1 1 380.410 3.896 50 0 GHAAMO C[NH+](C)Cc1cnc(CNc2cccc3c2CCN(CC(F)(F)F)C3)s1 ZINC000952845520 904628328 /nfs/dbraw/zinc/62/83/28/904628328.db2.gz MFIKEAGLCXZHNJ-UHFFFAOYSA-N 1 1 384.471 3.737 50 0 GHAAMO Cc1ccc(NC(=O)C[NH+](C)C)c(NC(=O)c2cc(F)c(F)cc2Cl)c1 ZINC000952967331 904662794 /nfs/dbraw/zinc/66/27/94/904662794.db2.gz ZLQOPONMZBPVFL-UHFFFAOYSA-N 1 1 381.810 3.679 50 0 GHAAMO C[C@@H](c1ccc2c(c1)OCCO2)[N@@H+](C)Cc1ccc(Sc2nncn2C)o1 ZINC000952981369 904667025 /nfs/dbraw/zinc/66/70/25/904667025.db2.gz WGZHBBFCYHGWCN-ZDUSSCGKSA-N 1 1 386.477 3.524 50 0 GHAAMO COc1ccc(C[N@H+]2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)c(OC)c1C ZINC000015065765 919357837 /nfs/dbraw/zinc/35/78/37/919357837.db2.gz KMXLJIRXUQQRAJ-GOSISDBHSA-N 1 1 384.476 3.817 50 0 GHAAMO OCC1CCN([C@@H]2CCC[N@@H+](CC(c3ccccc3)c3ccccc3)C2)CC1 ZINC000019221914 919575773 /nfs/dbraw/zinc/57/57/73/919575773.db2.gz PRYVGHIBSMQICC-XMMPIXPASA-N 1 1 378.560 3.987 50 0 GHAAMO OCC1CC[NH+]([C@@H]2CCCN(CC(c3ccccc3)c3ccccc3)C2)CC1 ZINC000019221914 919575786 /nfs/dbraw/zinc/57/57/86/919575786.db2.gz PRYVGHIBSMQICC-XMMPIXPASA-N 1 1 378.560 3.987 50 0 GHAAMO O=C(C1CC[NH+](Cc2cc(Cl)cc3c2OCOC3)CC1)N1CCCCCC1 ZINC000016694707 210195644 /nfs/dbraw/zinc/19/56/44/210195644.db2.gz LQDJFMUEDGZYMP-UHFFFAOYSA-N 1 1 392.927 3.821 50 0 GHAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)Nc3ccccc3)CC2)[nH+]1 ZINC000015824994 210170453 /nfs/dbraw/zinc/17/04/53/210170453.db2.gz HDKBXGLOGVHBKW-UHFFFAOYSA-N 1 1 388.475 3.883 50 0 GHAAMO CC[N@H+]1CCC[C@H]1Cn1c(C)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1N ZINC000015080876 210152752 /nfs/dbraw/zinc/15/27/52/210152752.db2.gz QLLWJKFVKNKSOY-INIZCTEOSA-N 1 1 395.956 3.658 50 0 GHAAMO CCOc1ccc(C[N@H+]2CCC[C@](CO)(CCc3ccccc3)C2)cc1CO ZINC000015077789 210150790 /nfs/dbraw/zinc/15/07/90/210150790.db2.gz ICZSYCDACRHHLG-DEOSSOPVSA-N 1 1 383.532 3.785 50 0 GHAAMO O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000015077328 210149615 /nfs/dbraw/zinc/14/96/15/210149615.db2.gz IHCZDPPMQKMTKK-LJQANCHMSA-N 1 1 381.476 3.807 50 0 GHAAMO CCN(CC)C(=O)c1cn([C@H]2CCC[N@@H+](C/C(C)=C/c3ccccc3)C2)nn1 ZINC000014993865 210141890 /nfs/dbraw/zinc/14/18/90/210141890.db2.gz UIJIIFMVLVYGKB-GJPUVDBCSA-N 1 1 381.524 3.501 50 0 GHAAMO CCN(CC)C(=O)c1cn([C@@H]2CCC[N@@H+](C/C(C)=C/c3ccccc3)C2)nn1 ZINC000014993863 210139872 /nfs/dbraw/zinc/13/98/72/210139872.db2.gz UIJIIFMVLVYGKB-WORNYLJVSA-N 1 1 381.524 3.501 50 0 GHAAMO Cc1ccc(-n2cc(C[N@H+]3CCCN(C=O)CC3)c(-c3cccc(C)c3)n2)cc1 ZINC000014979484 210139500 /nfs/dbraw/zinc/13/95/00/210139500.db2.gz CHJGTQOSFVBFAP-UHFFFAOYSA-N 1 1 388.515 3.820 50 0 GHAAMO C[N@@H+](CCCNC(=O)Cc1csc(-c2ccccc2)n1)Cc1ccccc1 ZINC000014236127 210111979 /nfs/dbraw/zinc/11/19/79/210111979.db2.gz KGUPKNODUGBKSN-UHFFFAOYSA-N 1 1 379.529 3.991 50 0 GHAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000012971585 210036233 /nfs/dbraw/zinc/03/62/33/210036233.db2.gz ARIWLJUERVTYDY-YWZLYKJASA-N 1 1 386.467 3.857 50 0 GHAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000012971585 210036235 /nfs/dbraw/zinc/03/62/35/210036235.db2.gz ARIWLJUERVTYDY-YWZLYKJASA-N 1 1 386.467 3.857 50 0 GHAAMO COc1cc2c(cc1OC)C[N@@H+](C[C@@H](O)COc1cccc3ccccc31)CC2 ZINC000012904135 210026307 /nfs/dbraw/zinc/02/63/07/210026307.db2.gz XTMOHFIHFNGVFG-HXUWFJFHSA-N 1 1 393.483 3.655 50 0 GHAAMO CN(Cc1ccccc1F)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012779889 210008126 /nfs/dbraw/zinc/00/81/26/210008126.db2.gz SHIZMNBHVJOXGB-HXUWFJFHSA-N 1 1 398.478 3.783 50 0 GHAAMO CN(Cc1ccccc1F)C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012779889 210008129 /nfs/dbraw/zinc/00/81/29/210008129.db2.gz SHIZMNBHVJOXGB-HXUWFJFHSA-N 1 1 398.478 3.783 50 0 GHAAMO COCc1cc([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCC[N@@H+]24)ccc1OC ZINC000012761897 210003637 /nfs/dbraw/zinc/00/36/37/210003637.db2.gz BGDHEWKZFIHUPC-PTLVVNQVSA-N 1 1 392.499 3.784 50 0 GHAAMO CC(C)(CO)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2Oc2cccnc2)C1 ZINC000011668106 209878584 /nfs/dbraw/zinc/87/85/84/209878584.db2.gz GQYBMVAZVXHMMQ-QGZVFWFLSA-N 1 1 383.492 3.543 50 0 GHAAMO COc1ccc(COC[C@H](O)C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)cc1OC ZINC000036426248 209195701 /nfs/dbraw/zinc/19/57/01/209195701.db2.gz RKWYQOQBMDMBII-RHSMWYFYSA-N 1 1 395.446 3.553 50 0 GHAAMO C[C@H](C(=O)Nc1ccccc1N1CCCC1=O)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229723351 209187408 /nfs/dbraw/zinc/18/74/08/209187408.db2.gz RQCCLMWBRSGSHR-IEBWSBKVSA-N 1 1 377.488 3.630 50 0 GHAAMO CC(C)NC(=O)C1CC[NH+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000130775002 212059683 /nfs/dbraw/zinc/05/96/83/212059683.db2.gz IIPZRXAVEABSAT-NRFANRHFSA-N 1 1 397.494 3.742 50 0 GHAAMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CC(=O)N(C)C3CCC(C)CC3)C2)s1 ZINC000328593480 212057324 /nfs/dbraw/zinc/05/73/24/212057324.db2.gz AQPZMIODWPATOG-SKINQDTJSA-N 1 1 391.625 3.847 50 0 GHAAMO Cc1cc(NC(=O)N[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c(Cl)cc1F ZINC000299789292 212039086 /nfs/dbraw/zinc/03/90/86/212039086.db2.gz ZOGWXICSYIKIBF-OAHLLOKOSA-N 1 1 376.863 3.969 50 0 GHAAMO Cc1cc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c(Cl)cc1F ZINC000299789292 212039090 /nfs/dbraw/zinc/03/90/90/212039090.db2.gz ZOGWXICSYIKIBF-OAHLLOKOSA-N 1 1 376.863 3.969 50 0 GHAAMO O=C([C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12)N1CCN(c2ccc(F)cc2)CC1 ZINC000299777601 212035987 /nfs/dbraw/zinc/03/59/87/212035987.db2.gz NYLHIPCHLOYHCU-ZRBLBEILSA-N 1 1 393.506 3.700 50 0 GHAAMO C[NH+]1CCN(CC2(CNC(=O)Nc3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000299762772 212034028 /nfs/dbraw/zinc/03/40/28/212034028.db2.gz AQSGHRHMBINSLP-UHFFFAOYSA-N 1 1 378.520 3.503 50 0 GHAAMO CCCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)CCc1cc(OC)no1 ZINC000334161156 209177955 /nfs/dbraw/zinc/17/79/55/209177955.db2.gz VDVCINQBHFOGPI-MJGOQNOKSA-N 1 1 377.529 3.509 50 0 GHAAMO CCn1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)cn1 ZINC000097730119 211371859 /nfs/dbraw/zinc/37/18/59/211371859.db2.gz ADSJZFPWVHHOFE-HXUWFJFHSA-N 1 1 387.503 3.807 50 0 GHAAMO COc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3C)C2)cc1OC ZINC000097475578 211364479 /nfs/dbraw/zinc/36/44/79/211364479.db2.gz BFCQVIFJPVVMML-KRWDZBQOSA-N 1 1 383.492 3.656 50 0 GHAAMO Cn1ncc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)c1C1CC1 ZINC000096130250 211305119 /nfs/dbraw/zinc/30/51/19/211305119.db2.gz OBCZCQMFWWGJNG-OAQYLSRUSA-N 1 1 378.564 3.999 50 0 GHAAMO Cn1ncc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)c1C1CC1 ZINC000096130250 211305123 /nfs/dbraw/zinc/30/51/23/211305123.db2.gz OBCZCQMFWWGJNG-OAQYLSRUSA-N 1 1 378.564 3.999 50 0 GHAAMO Cn1ccnc1COc1ccc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)cc1 ZINC000095959699 211287157 /nfs/dbraw/zinc/28/71/57/211287157.db2.gz UUHCTHKGHUTXGR-HSZRJFAPSA-N 1 1 391.515 3.871 50 0 GHAAMO O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@@H]1CCC[N@H+](CCCO)C1 ZINC000095530666 211274943 /nfs/dbraw/zinc/27/49/43/211274943.db2.gz BSWDEPYGRSTTNB-LJQANCHMSA-N 1 1 377.488 3.868 50 0 GHAAMO Cc1ccc([C@@H]2C[N@@H+](Cc3cnn(-c4cccc(F)c4)c3)C[C@H]2N(C)C)cc1 ZINC000095525935 211272709 /nfs/dbraw/zinc/27/27/09/211272709.db2.gz ZXTORLGDVBJTOM-XZOQPEGZSA-N 1 1 378.495 3.849 50 0 GHAAMO Cc1ccc([C@@H]2C[N@H+](Cc3cnn(-c4cccc(F)c4)c3)C[C@H]2N(C)C)cc1 ZINC000095525935 211272715 /nfs/dbraw/zinc/27/27/15/211272715.db2.gz ZXTORLGDVBJTOM-XZOQPEGZSA-N 1 1 378.495 3.849 50 0 GHAAMO CCc1nc(C[N@@H+]2CCC[C@H](CNC(=O)c3cc4ccccc4[nH]3)C2)cs1 ZINC000095524240 211270920 /nfs/dbraw/zinc/27/09/20/211270920.db2.gz FGCQMHGMSGHCCS-OAHLLOKOSA-N 1 1 382.533 3.829 50 0 GHAAMO CCc1nc(C[N@H+]2CCC[C@H](CNC(=O)c3cc4ccccc4[nH]3)C2)cs1 ZINC000095524240 211270923 /nfs/dbraw/zinc/27/09/23/211270923.db2.gz FGCQMHGMSGHCCS-OAHLLOKOSA-N 1 1 382.533 3.829 50 0 GHAAMO CCc1ocnc1C(=O)N(CC)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000095520601 211265973 /nfs/dbraw/zinc/26/59/73/211265973.db2.gz MDMRPHKFCJRCHY-SFHVURJKSA-N 1 1 387.499 3.793 50 0 GHAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cc(C)n(C)c2C)C1 ZINC000095499146 211252484 /nfs/dbraw/zinc/25/24/84/211252484.db2.gz TWPWWRXMLZEXGJ-FQEVSTJZSA-N 1 1 397.563 3.677 50 0 GHAAMO C[C@H](CC(=O)O[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC(=O)C1CCCC1 ZINC000095468930 211246193 /nfs/dbraw/zinc/24/61/93/211246193.db2.gz FIOKYDCEBMZPJI-LVCYWYKZSA-N 1 1 386.536 3.525 50 0 GHAAMO CC(=O)c1ccccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000095357099 211221697 /nfs/dbraw/zinc/22/16/97/211221697.db2.gz 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383.467 3.812 50 0 GHAAMO COc1ccc(-c2nc(CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cs2)cc1 ZINC000012296475 570293944 /nfs/dbraw/zinc/29/39/44/570293944.db2.gz FGGYEEZWUMFIRW-FXAWDEMLSA-N 1 1 399.560 3.742 50 0 biogenic GHAAMO O=C(Cc1ccccc1)Nc1ccc(N2CCC[N@@H+](Cc3ccoc3)CC2)nc1 ZINC000034681765 570300238 /nfs/dbraw/zinc/30/02/38/570300238.db2.gz FWSPCGJIKWYAED-UHFFFAOYSA-N 1 1 390.487 3.568 50 0 GHAAMO O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000023386868 570322550 /nfs/dbraw/zinc/32/25/50/570322550.db2.gz TVWMYADLFULZIH-OAHLLOKOSA-N 1 1 399.293 3.694 50 0 GHAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000023145783 570347052 /nfs/dbraw/zinc/34/70/52/570347052.db2.gz QTNGWJSVUNGSQT-HXUWFJFHSA-N 1 1 386.499 3.690 50 0 GHAAMO C[C@@H]1CCCC[N@@H+]1CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000023259109 570353179 /nfs/dbraw/zinc/35/31/79/570353179.db2.gz OWHNABDVBUEITH-MRXNPFEDSA-N 1 1 386.517 3.927 50 0 GHAAMO C[C@@H]1CCCC[N@H+]1CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000023259109 570353183 /nfs/dbraw/zinc/35/31/83/570353183.db2.gz OWHNABDVBUEITH-MRXNPFEDSA-N 1 1 386.517 3.927 50 0 GHAAMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000023356039 570356134 /nfs/dbraw/zinc/35/61/34/570356134.db2.gz UHYIAKMAELRXKH-SUMWQHHRSA-N 1 1 393.430 3.609 50 0 GHAAMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000023356039 570356139 /nfs/dbraw/zinc/35/61/39/570356139.db2.gz UHYIAKMAELRXKH-SUMWQHHRSA-N 1 1 393.430 3.609 50 0 GHAAMO CC(C)C[N@@H+]1CCO[C@@H](CSc2nnc(Nc3ccccc3F)s2)C1 ZINC000023466448 570363273 /nfs/dbraw/zinc/36/32/73/570363273.db2.gz NBFWQKBYFSLDKP-CYBMUJFWSA-N 1 1 382.530 3.870 50 0 GHAAMO CC(C)C[N@H+]1CCO[C@@H](CSc2nnc(Nc3ccccc3F)s2)C1 ZINC000023466448 570363275 /nfs/dbraw/zinc/36/32/75/570363275.db2.gz NBFWQKBYFSLDKP-CYBMUJFWSA-N 1 1 382.530 3.870 50 0 GHAAMO Cc1ccc(SCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC000024336128 570382210 /nfs/dbraw/zinc/38/22/10/570382210.db2.gz RGEZFZSXMUZGNA-UHFFFAOYSA-N 1 1 384.545 3.544 50 0 GHAAMO CCOC(=O)c1c2c(sc1NC(=O)C[NH+]1CCCCCC1)C[C@@H](C)CC2 ZINC000005017374 570424162 /nfs/dbraw/zinc/42/41/62/570424162.db2.gz RBAIOHWEYPMPAW-AWEZNQCLSA-N 1 1 378.538 3.864 50 0 GHAAMO Cc1cc(C)c(S(=O)(=O)N2CCC(C[N@@H+]3CCC[C@@H](C)C3)CC2)cc1C ZINC000032952033 570428301 /nfs/dbraw/zinc/42/83/01/570428301.db2.gz ICZBGLAWNDIPMJ-MRXNPFEDSA-N 1 1 378.582 3.744 50 0 GHAAMO Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)o1 ZINC000242273659 570432529 /nfs/dbraw/zinc/43/25/29/570432529.db2.gz YESZTMWXXSWVNE-QZTJIDSGSA-N 1 1 393.491 3.759 50 0 GHAAMO COc1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)c(OC)c1OC ZINC000244602061 570436104 /nfs/dbraw/zinc/43/61/04/570436104.db2.gz DWXSRLMYCLFPQO-TZIWHRDSSA-N 1 1 388.552 3.941 50 0 GHAAMO Cc1c2cc(C)ccc2oc1C(=O)NCC1(N2CC[NH+](C)CC2)CCCCC1 ZINC000028402911 570458566 /nfs/dbraw/zinc/45/85/66/570458566.db2.gz LHDRRZAEJTZSRP-UHFFFAOYSA-N 1 1 383.536 3.730 50 0 GHAAMO C[C@@H](C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1)c1cccc(Br)c1 ZINC000252478342 570474020 /nfs/dbraw/zinc/47/40/20/570474020.db2.gz AJPPPEBOMBLHIC-ZFWWWQNUSA-N 1 1 375.314 3.804 50 0 GHAAMO O=C(c1ccc(Br)s1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000028034677 570524420 /nfs/dbraw/zinc/52/44/20/570524420.db2.gz NEUJKUVSRJMQJE-UHFFFAOYSA-N 1 1 385.352 3.920 50 0 GHAAMO O=C(c1ccc(Br)s1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000028034677 570524425 /nfs/dbraw/zinc/52/44/25/570524425.db2.gz NEUJKUVSRJMQJE-UHFFFAOYSA-N 1 1 385.352 3.920 50 0 GHAAMO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(C)c1 ZINC000036095334 570534420 /nfs/dbraw/zinc/53/44/20/570534420.db2.gz OTMMFWFJXGFZFF-OAQYLSRUSA-N 1 1 385.504 3.710 50 0 GHAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1OC ZINC000036102950 570540048 /nfs/dbraw/zinc/54/00/48/570540048.db2.gz ZMUTUEHAEZIHFQ-FQEVSTJZSA-N 1 1 389.467 3.541 50 0 GHAAMO CC[N@@H+]1CCc2nc(NC(=O)c3ccccc3NC(=O)c3ccco3)sc2C1 ZINC000032969112 570550865 /nfs/dbraw/zinc/55/08/65/570550865.db2.gz AJXBPLYNPXGKSI-UHFFFAOYSA-N 1 1 396.472 3.619 50 0 GHAAMO CC[N@H+]1CCc2nc(NC(=O)c3ccccc3NC(=O)c3ccco3)sc2C1 ZINC000032969112 570550867 /nfs/dbraw/zinc/55/08/67/570550867.db2.gz AJXBPLYNPXGKSI-UHFFFAOYSA-N 1 1 396.472 3.619 50 0 GHAAMO CCCn1ncc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(OC)cc3OC)C2)c1C ZINC000011772379 570582015 /nfs/dbraw/zinc/58/20/15/570582015.db2.gz WUMJKGOGMFJRSX-KRWDZBQOSA-N 1 1 385.508 3.714 50 0 GHAAMO CCCn1ncc(C[N@H+]2CCC[C@H](C(=O)c3ccc(OC)cc3OC)C2)c1C ZINC000011772379 570582018 /nfs/dbraw/zinc/58/20/18/570582018.db2.gz WUMJKGOGMFJRSX-KRWDZBQOSA-N 1 1 385.508 3.714 50 0 GHAAMO CC[N@@H+](CCCNC(=O)C1=C(C)C(=O)OC12CCCCC2)Cc1ccccc1 ZINC000006772425 570582307 /nfs/dbraw/zinc/58/23/07/570582307.db2.gz XAIDTJNBNHZXTP-UHFFFAOYSA-N 1 1 384.520 3.591 50 0 GHAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(Cl)cc(Br)c1F ZINC000225521184 570583025 /nfs/dbraw/zinc/58/30/25/570583025.db2.gz QEAPNEXJDFPIFP-JTQLQIEISA-N 1 1 377.685 3.846 50 0 GHAAMO CC(C)CCNC(=O)[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000011813422 570583444 /nfs/dbraw/zinc/58/34/44/570583444.db2.gz WOWRFUZNTNRYFV-QFIPXVFZSA-N 1 1 385.596 3.568 50 0 GHAAMO Cc1nc(N2CCOCC2)ccc1N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000225567266 570588864 /nfs/dbraw/zinc/58/88/64/570588864.db2.gz SBEHPXXFVYHFCC-RXVVDRJESA-N 1 1 380.536 3.549 50 0 GHAAMO COC(=O)c1cccc(C(=O)N(C)[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)c1 ZINC000011879422 570591348 /nfs/dbraw/zinc/59/13/48/570591348.db2.gz FAXAGDUFNJFDLU-JOCHJYFZSA-N 1 1 394.515 3.642 50 0 GHAAMO O=C(c1ccccc1F)N1CC[C@H]2[C@H](CCC[N@H+]2C2Cc3ccccc3C2)C1 ZINC000011881237 570591793 /nfs/dbraw/zinc/59/17/93/570591793.db2.gz KOYLVRGPELWRBO-XXBNENTESA-N 1 1 378.491 3.920 50 0 GHAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1cscn1 ZINC000011951650 570595646 /nfs/dbraw/zinc/59/56/46/570595646.db2.gz MQZHQKOEFRYYRB-KRWDZBQOSA-N 1 1 375.513 3.699 50 0 GHAAMO O=C(N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)c1cnc(CN2CCCC2)s1 ZINC000011998800 570597812 /nfs/dbraw/zinc/59/78/12/570597812.db2.gz BTVIIAJYZUMPHK-GOSISDBHSA-N 1 1 390.597 3.513 50 0 GHAAMO COc1cc(C)c(C[N@H+]2C[C@H](Sc3ccccn3)C[C@H]2C(=O)N(C)C)cc1C ZINC000012025721 570599221 /nfs/dbraw/zinc/59/92/21/570599221.db2.gz YGXHLTFCDCYVFT-MOPGFXCFSA-N 1 1 399.560 3.530 50 0 GHAAMO CCc1ccc(C[N@H+]2CCC[C@H](CNC(=O)COc3ccccc3OC)C2)cc1 ZINC000012029366 570599491 /nfs/dbraw/zinc/59/94/91/570599491.db2.gz WAWQONSSNNUTPB-OAQYLSRUSA-N 1 1 396.531 3.665 50 0 GHAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)cc1 ZINC000012300617 570635841 /nfs/dbraw/zinc/63/58/41/570635841.db2.gz XITONEYSMOPNTM-OAQYLSRUSA-N 1 1 378.451 3.923 50 0 GHAAMO Cc1nccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000012300617 570635842 /nfs/dbraw/zinc/63/58/42/570635842.db2.gz XITONEYSMOPNTM-OAQYLSRUSA-N 1 1 378.451 3.923 50 0 GHAAMO Cc1nccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000012300617 570635843 /nfs/dbraw/zinc/63/58/43/570635843.db2.gz XITONEYSMOPNTM-OAQYLSRUSA-N 1 1 378.451 3.923 50 0 GHAAMO Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCCN(CCCc2ccccc2)C3=O)n1 ZINC000012305573 570638817 /nfs/dbraw/zinc/63/88/17/570638817.db2.gz QTLQXFPNNVAQNG-XMMPIXPASA-N 1 1 377.532 3.837 50 0 GHAAMO Cc1n[nH]c(CCC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(C)c2)C3)c1C ZINC000012306597 570639268 /nfs/dbraw/zinc/63/92/68/570639268.db2.gz XCFPAXMWBPFMJT-XMMPIXPASA-N 1 1 394.563 3.782 50 0 GHAAMO Cc1[nH]nc(CCC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)c1C ZINC000012306597 570639272 /nfs/dbraw/zinc/63/92/72/570639272.db2.gz XCFPAXMWBPFMJT-XMMPIXPASA-N 1 1 394.563 3.782 50 0 GHAAMO Cc1[nH]nc(CCC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(C)c2)C3)c1C ZINC000012306597 570639275 /nfs/dbraw/zinc/63/92/75/570639275.db2.gz XCFPAXMWBPFMJT-XMMPIXPASA-N 1 1 394.563 3.782 50 0 GHAAMO Cc1ccccc1CN1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000022930955 570652782 /nfs/dbraw/zinc/65/27/82/570652782.db2.gz HHVWIMSHVUNKRH-UHFFFAOYSA-N 1 1 389.902 3.934 50 0 GHAAMO CSc1nc(C(=O)N[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)cs1 ZINC000012430197 570658430 /nfs/dbraw/zinc/65/84/30/570658430.db2.gz NKPKKAPLUHXBNQ-INIZCTEOSA-N 1 1 375.563 3.692 50 0 GHAAMO O=C(c1nc2ccc(Cl)cn2c1C[NH+]1CCCC1)N1CCc2ccccc2C1 ZINC000012432245 570660104 /nfs/dbraw/zinc/66/01/04/570660104.db2.gz ZJVNNBWKHDPDJK-UHFFFAOYSA-N 1 1 394.906 3.782 50 0 GHAAMO COc1ccc(F)c(C[N@H+]2CCC[C@]3(CCN(C(=O)c4occc4C)C3)C2)c1 ZINC000012438730 570663075 /nfs/dbraw/zinc/66/30/75/570663075.db2.gz FHXHKGHBXWXPED-QFIPXVFZSA-N 1 1 386.467 3.864 50 0 GHAAMO Cc1c(O)ccc2c(C[N@H+]3CCCC[C@@H]3[C@@H](O)c3ccccc3)cc(=O)oc12 ZINC000229766185 570666787 /nfs/dbraw/zinc/66/67/87/570666787.db2.gz XDXUQXVIUSCPPV-KNQAVFIVSA-N 1 1 379.456 3.895 50 0 GHAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)NCc1ccccc1 ZINC000012458556 570670234 /nfs/dbraw/zinc/67/02/34/570670234.db2.gz FKHOIXDUCUTSRO-OAQYLSRUSA-N 1 1 383.511 3.922 50 0 GHAAMO O=C(N[C@H]1CCC[N@@H+](CC2CCCCC2)C1)c1cccc(Cn2cccn2)c1 ZINC000012430499 570674997 /nfs/dbraw/zinc/67/49/97/570674997.db2.gz OHQDAQPWRIMVNO-QFIPXVFZSA-N 1 1 380.536 3.706 50 0 GHAAMO COc1cccc(C[N@H+](C)[C@@H](C)c2cccnc2)c1OCCCn1ccnc1 ZINC000055134291 570684621 /nfs/dbraw/zinc/68/46/21/570684621.db2.gz NELQHQFLAAGZST-SFHVURJKSA-N 1 1 380.492 3.949 50 0 GHAAMO COc1cccc(C[N@@H+](C)[C@@H](C)c2cccnc2)c1OCCCn1ccnc1 ZINC000055134291 570684624 /nfs/dbraw/zinc/68/46/24/570684624.db2.gz NELQHQFLAAGZST-SFHVURJKSA-N 1 1 380.492 3.949 50 0 GHAAMO CSc1ncc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccccc3C)C2)cn1 ZINC000055182915 570686159 /nfs/dbraw/zinc/68/61/59/570686159.db2.gz AGIZCEKCPYLEDS-LJQANCHMSA-N 1 1 384.593 3.893 50 0 GHAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3ccc4nonc4c3)C2)cc1 ZINC000055182867 570686342 /nfs/dbraw/zinc/68/63/42/570686342.db2.gz OOXSVKXEELONRJ-HXUWFJFHSA-N 1 1 394.519 3.618 50 0 GHAAMO O=C(C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1F)C2)c1ccccc1 ZINC000012595510 570689325 /nfs/dbraw/zinc/68/93/25/570689325.db2.gz NAQMBODCTQTUDF-HSZRJFAPSA-N 1 1 380.463 3.523 50 0 GHAAMO O=C(C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1F)C2)c1ccccc1 ZINC000012595510 570689328 /nfs/dbraw/zinc/68/93/28/570689328.db2.gz NAQMBODCTQTUDF-HSZRJFAPSA-N 1 1 380.463 3.523 50 0 GHAAMO Cc1cccc(-c2noc(C3CC[NH+](CC(=O)NCc4ccccc4)CC3)n2)c1 ZINC000065184215 570723070 /nfs/dbraw/zinc/72/30/70/570723070.db2.gz WPWPQSQVRZUQKN-UHFFFAOYSA-N 1 1 390.487 3.541 50 0 GHAAMO CC[C@@H](CNCc1csc(-c2ncccn2)n1)[N@H+]1CCc2ccccc2C1 ZINC000058289733 570724553 /nfs/dbraw/zinc/72/45/53/570724553.db2.gz ABPUEFMRZSGJSV-IBGZPJMESA-N 1 1 379.533 3.527 50 0 GHAAMO CC[C@@H](C[NH2+]Cc1csc(-c2ncccn2)n1)N1CCc2ccccc2C1 ZINC000058289733 570724554 /nfs/dbraw/zinc/72/45/54/570724554.db2.gz ABPUEFMRZSGJSV-IBGZPJMESA-N 1 1 379.533 3.527 50 0 GHAAMO C[N@@H+]1CCN(C(=O)Cc2csc(-c3ccsc3)n2)[C@H](c2ccccc2)C1 ZINC000058369870 570729666 /nfs/dbraw/zinc/72/96/66/570729666.db2.gz MPGDPFPVKFPQOX-SFHVURJKSA-N 1 1 383.542 3.929 50 0 GHAAMO C[N@H+]1CCN(C(=O)Cc2csc(-c3ccsc3)n2)[C@H](c2ccccc2)C1 ZINC000058369870 570729667 /nfs/dbraw/zinc/72/96/67/570729667.db2.gz MPGDPFPVKFPQOX-SFHVURJKSA-N 1 1 383.542 3.929 50 0 GHAAMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000058430567 570732901 /nfs/dbraw/zinc/73/29/01/570732901.db2.gz ONNHNLNWPYAMJC-OWCLPIDISA-N 1 1 393.369 3.963 50 0 GHAAMO CCc1noc(-c2cccnc2N2CCC[N@@H+](Cc3cccc(C)c3)CC2)n1 ZINC000065257895 570758955 /nfs/dbraw/zinc/75/89/55/570758955.db2.gz RLHZRZAFZXMZHW-UHFFFAOYSA-N 1 1 377.492 3.715 50 0 GHAAMO Cc1cc(C)c(NC(=O)CC[N@H+]2CCC[C@H]2c2ccc(C(N)=O)s2)c(C)c1 ZINC000065388162 570764603 /nfs/dbraw/zinc/76/46/03/570764603.db2.gz DKWALNDDFRJNMJ-INIZCTEOSA-N 1 1 385.533 3.938 50 0 GHAAMO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H](c4nnc5ccccn54)C3)c2cc1C ZINC000065425814 570768028 /nfs/dbraw/zinc/76/80/28/570768028.db2.gz GCAKBWALFBEIAN-QGZVFWFLSA-N 1 1 388.471 3.832 50 0 GHAAMO CC(C)c1cc(C2CCN(C(=O)C3CC[NH+](Cc4ccco4)CC3)CC2)n[nH]1 ZINC000067559625 570781504 /nfs/dbraw/zinc/78/15/04/570781504.db2.gz WEUCIDCZNFJHGN-UHFFFAOYSA-N 1 1 384.524 3.744 50 0 GHAAMO Cc1c(C(=O)N2CCCCC2)c(C(F)(F)F)nn1[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000036704534 570792702 /nfs/dbraw/zinc/79/27/02/570792702.db2.gz DMZWYZGLGYHQIJ-OAHLLOKOSA-N 1 1 386.462 3.882 50 0 GHAAMO Cc1noc(Cl)c1CCC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000065534038 570831918 /nfs/dbraw/zinc/83/19/18/570831918.db2.gz PPILLHNSUTXBPY-UHFFFAOYSA-N 1 1 376.819 3.519 50 0 GHAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1 ZINC000065586232 570836559 /nfs/dbraw/zinc/83/65/59/570836559.db2.gz RTFGSGCGLOWWRR-UHFFFAOYSA-N 1 1 377.391 3.782 50 0 GHAAMO CC(C)c1cccc2c(O)c(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)cnc21 ZINC000526052605 570846730 /nfs/dbraw/zinc/84/67/30/570846730.db2.gz UBRKBSVIKOHDBK-JXFKEZNVSA-N 1 1 381.520 3.646 50 0 GHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CCc2ccccn2)C1 ZINC000015071945 570877214 /nfs/dbraw/zinc/87/72/14/570877214.db2.gz RRQRRSWAZPWLBJ-NRFANRHFSA-N 1 1 379.548 3.736 50 0 GHAAMO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000103929902 570890397 /nfs/dbraw/zinc/89/03/97/570890397.db2.gz HKTOYYIOKOVEKO-OLZOCXBDSA-N 1 1 386.464 3.603 50 0 GHAAMO 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O=C([N-]C(=O)c1cccc(C(F)(F)F)c1)OC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000005132945 843575627 /nfs/dbraw/zinc/57/56/27/843575627.db2.gz NFOBTXLABJBEJK-GDBMZVCRSA-N 1 1 384.398 3.836 50 0 GHAAMO COC(=O)c1cccc(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000057318511 861959300 /nfs/dbraw/zinc/95/93/00/861959300.db2.gz MJRRHBGASMQEGZ-HXUWFJFHSA-N 1 1 398.459 3.992 50 0 GHAAMO CCC(=O)c1ccc(OCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000230139578 862149156 /nfs/dbraw/zinc/14/91/56/862149156.db2.gz VHAOXTBGMUNSPU-GHTZIAJQSA-N 1 1 394.515 3.827 50 0 GHAAMO Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)[NH+]1CCC2(CC1)OCCO2 ZINC000058012541 862321342 /nfs/dbraw/zinc/32/13/42/862321342.db2.gz CETAHUPCWGEHBF-OAQYLSRUSA-N 1 1 380.488 3.822 50 0 GHAAMO CC(C)Cc1ccc(C[N@@H+]2CCc3nnc(Cc4cccnc4)n3CC2)s1 ZINC000821460022 862345482 /nfs/dbraw/zinc/34/54/82/862345482.db2.gz YLNLYMLFPAXIRB-UHFFFAOYSA-N 1 1 381.549 3.582 50 0 GHAAMO C[N@H+](Cc1ccccc1)[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000058085726 862352826 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COCC[N@H+]1CC[C@H](CNC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)C1 ZINC000670451359 862579788 /nfs/dbraw/zinc/57/97/88/862579788.db2.gz MEELUTHGQDLDCM-XBWQGGSUSA-N 1 1 396.575 3.609 50 0 GHAAMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000583070397 855573491 /nfs/dbraw/zinc/57/34/91/855573491.db2.gz BGGMHQUQIQWISV-AOLWHUPESA-N 1 1 381.398 3.909 50 0 GHAAMO Cc1ccc(C[N@@H+](C[C@H](O)COc2ccccc2C)C[C@H]2CCCO2)s1 ZINC000245280838 856792867 /nfs/dbraw/zinc/79/28/67/856792867.db2.gz UNZWAHDYXBMIHY-RBUKOAKNSA-N 1 1 375.534 3.786 50 0 GHAAMO C[N@@H+]1CC(=Cc2ccc(F)cc2)C2=NC(=S)N[C@H](c3ccc(F)cc3)C2C1 ZINC000055174859 857613918 /nfs/dbraw/zinc/61/39/18/857613918.db2.gz RSSCIJGJORVHLT-JVVYVMHDSA-N 1 1 383.467 3.767 50 0 GHAAMO COc1cccc(C[N@@H+]2CCOc3ccc([C@H](O)c4cccnc4)cc3C2)c1 ZINC000012024495 858544141 /nfs/dbraw/zinc/54/41/41/858544141.db2.gz SUHAJKLOGVNKPU-QHCPKHFHSA-N 1 1 376.456 3.567 50 0 GHAAMO COc1cccc(C[N@H+]2CCOc3ccc([C@H](O)c4cccnc4)cc3C2)c1 ZINC000012024495 858544147 /nfs/dbraw/zinc/54/41/47/858544147.db2.gz SUHAJKLOGVNKPU-QHCPKHFHSA-N 1 1 376.456 3.567 50 0 GHAAMO C[N@@H+](Cc1cccs1)[C@@H]1CCC(=O)N(CCOc2ccc(F)cc2)CC1 ZINC000012126287 859005987 /nfs/dbraw/zinc/00/59/87/859005987.db2.gz GSCSRMHBJNKGPZ-QGZVFWFLSA-N 1 1 376.497 3.779 50 0 GHAAMO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)[C@H]1CCCCN1C ZINC000012613035 859215787 /nfs/dbraw/zinc/21/57/87/859215787.db2.gz NBABUGOEKPUTTH-HSZRJFAPSA-N 1 1 385.596 3.582 50 0 GHAAMO COc1ccc2[nH]c3c(c2c1)CC[N@H+](C)C31CCN(C(=O)c2ccccc2)CC1 ZINC000257187099 859835737 /nfs/dbraw/zinc/83/57/37/859835737.db2.gz LHZJXWPLZONPJU-UHFFFAOYSA-N 1 1 389.499 3.796 50 0 GHAAMO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](C)C31CCN(C(=O)c2ccccc2)CC1 ZINC000257187099 859835749 /nfs/dbraw/zinc/83/57/49/859835749.db2.gz LHZJXWPLZONPJU-UHFFFAOYSA-N 1 1 389.499 3.796 50 0 GHAAMO O=C(CCc1ccncc1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1F)C2 ZINC000012305684 859844024 /nfs/dbraw/zinc/84/40/24/859844024.db2.gz WJIPUYIGPYYPKN-QHCPKHFHSA-N 1 1 381.495 3.668 50 0 GHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cn2c(n1)CC[C@@H](c1ccccc1)C2 ZINC000169680309 860410698 /nfs/dbraw/zinc/41/06/98/860410698.db2.gz QQVAGPWOYRJSCC-AZUAARDMSA-N 1 1 380.536 3.607 50 0 GHAAMO Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCC3)cc2)n1C(F)F ZINC000825720610 864520525 /nfs/dbraw/zinc/52/05/25/864520525.db2.gz HLMDPPZYRSVOJD-UHFFFAOYSA-N 1 1 390.434 3.868 50 0 GHAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1conc1-c1ccccc1 ZINC000826626705 864738374 /nfs/dbraw/zinc/73/83/74/864738374.db2.gz LPPBVJDMAJRQDZ-GOSISDBHSA-N 1 1 379.435 3.875 50 0 GHAAMO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)c1conc1-c1ccccc1 ZINC000826626705 864738378 /nfs/dbraw/zinc/73/83/78/864738378.db2.gz LPPBVJDMAJRQDZ-GOSISDBHSA-N 1 1 379.435 3.875 50 0 GHAAMO Cc1c[nH+]c(C[C@H]2CCCN(C(=O)c3cccn3C)C2)n1Cc1ccc(F)cc1 ZINC000575317149 865991710 /nfs/dbraw/zinc/99/17/10/865991710.db2.gz BZXVJUALOCDFGN-LJQANCHMSA-N 1 1 394.494 3.812 50 0 GHAAMO COc1cccc(C[NH+]2CC(c3nc(CCOc4cccc(C)c4)no3)C2)c1 ZINC000581809325 870042069 /nfs/dbraw/zinc/04/20/69/870042069.db2.gz UKRSYWUGVRENAI-UHFFFAOYSA-N 1 1 379.460 3.608 50 0 GHAAMO Cc1cccc(OCCc2noc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000581822419 870055917 /nfs/dbraw/zinc/05/59/17/870055917.db2.gz ZOBYRCOHWCFCGO-IBGZPJMESA-N 1 1 378.476 3.774 50 0 GHAAMO S=c1[nH]c(C=Cc2ccccc2)nn1CN1CC[NH+](Cc2ccsc2)CC1 ZINC000023249681 874114560 /nfs/dbraw/zinc/11/45/60/874114560.db2.gz XZXNPBDTUUMZSN-VOTSOKGWSA-N 1 1 397.573 3.948 50 0 GHAAMO CCCOc1ccc(/C=C/C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000040141464 895158827 /nfs/dbraw/zinc/15/88/27/895158827.db2.gz YQEKJSJAIUVHCB-FMIVXFBMSA-N 1 1 394.515 3.637 50 0 GHAAMO C[C@@H](c1nnc(-c2ccc(F)cc2)o1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000096311007 914374579 /nfs/dbraw/zinc/37/45/79/914374579.db2.gz LCXSIQNRAOCRGF-KRWDZBQOSA-N 1 1 396.466 3.633 50 0 GHAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000003210604 901065165 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COc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc1OC ZINC000012712572 919299090 /nfs/dbraw/zinc/29/90/90/919299090.db2.gz JDDYDHMHACWSBJ-GOSISDBHSA-N 1 1 386.467 3.580 50 0 GHAAMO CCOC(=O)[C@]1(CCc2ccccc2)CCC[N@@H+](Cc2cnc(SC)nc2)C1 ZINC000014976673 919351247 /nfs/dbraw/zinc/35/12/47/919351247.db2.gz UZLDTKBEEZDKKF-QFIPXVFZSA-N 1 1 399.560 3.977 50 0 GHAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@@H]3CN(C(=O)c4ccccn4)CC[C@@H]32)cc1 ZINC000020586573 919648160 /nfs/dbraw/zinc/64/81/60/919648160.db2.gz MLKBAGHLXXPCIR-QPCYJLHBSA-N 1 1 391.515 3.730 50 0 GHAAMO COCC1(C2CCC2)CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000664208880 930492100 /nfs/dbraw/zinc/49/21/00/930492100.db2.gz ANACNORFYICFNZ-QFBILLFUSA-N 1 1 391.581 3.589 50 0 GHAAMO COCC(=O)NC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2F)CC12CCCCC2 ZINC000409420344 1031401145 /nfs/dbraw/zinc/40/11/45/1031401145.db2.gz CRSDBOLWVACYLR-INIZCTEOSA-N 1 1 382.907 3.624 50 0 GHAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)[NH+]2CCCC2)o1 ZINC000015860483 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387.495 3.534 50 0 GHAAMO OC[C@@]1(Cc2ccccc2F)CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000014965008 210135697 /nfs/dbraw/zinc/13/56/97/210135697.db2.gz FHVMLAHLRFNEAZ-HSZRJFAPSA-N 1 1 379.479 3.829 50 0 GHAAMO COC(=O)c1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccccc3OC)n2)cc1 ZINC000014956559 210133291 /nfs/dbraw/zinc/13/32/91/210133291.db2.gz UFOREDMRUQXYKP-SFHVURJKSA-N 1 1 393.443 3.869 50 0 GHAAMO COC(=O)c1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccccc3OC)n2)cc1 ZINC000014956559 210133295 /nfs/dbraw/zinc/13/32/95/210133295.db2.gz UFOREDMRUQXYKP-SFHVURJKSA-N 1 1 393.443 3.869 50 0 GHAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 ZINC000014169564 210107890 /nfs/dbraw/zinc/10/78/90/210107890.db2.gz WVFYLAKOYXRPDU-FQEVSTJZSA-N 1 1 384.432 3.934 50 0 GHAAMO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000012885847 210023127 /nfs/dbraw/zinc/02/31/27/210023127.db2.gz REEWEYLNAQSGSA-QFIPXVFZSA-N 1 1 389.499 3.658 50 0 GHAAMO Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)n1Cc1ccco1 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LAISZQDYIOSECY-OSFWOZTASA-N 1 1 380.532 3.586 50 0 GHAAMO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229719964 209187252 /nfs/dbraw/zinc/18/72/52/209187252.db2.gz VCKKKTRHMMVENC-IEBWSBKVSA-N 1 1 377.488 3.630 50 0 GHAAMO CN(CCc1nc2ccccc2[nH]1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299798318 212039026 /nfs/dbraw/zinc/03/90/26/212039026.db2.gz QUMKUSFKXOVOQK-BWAGFHJFSA-N 1 1 388.515 3.789 50 0 GHAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1coc3ccccc13)CC2 ZINC000096163664 211315007 /nfs/dbraw/zinc/31/50/07/211315007.db2.gz AXDPVWKYUUQWQN-UHFFFAOYSA-N 1 1 378.476 3.556 50 0 GHAAMO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000095528827 211274344 /nfs/dbraw/zinc/27/43/44/211274344.db2.gz WIZHKLGBGHROPI-HNNXBMFYSA-N 1 1 388.899 3.770 50 0 GHAAMO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000095528827 211274340 /nfs/dbraw/zinc/27/43/40/211274340.db2.gz WIZHKLGBGHROPI-HNNXBMFYSA-N 1 1 388.899 3.770 50 0 GHAAMO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@H+](Cc2nnc(C)o2)C1 ZINC000095507726 211257859 /nfs/dbraw/zinc/25/78/59/211257859.db2.gz GVSVOCLFFOGHIM-AWEZNQCLSA-N 1 1 392.887 3.671 50 0 GHAAMO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2nnc(C)o2)C1 ZINC000095507726 211257862 /nfs/dbraw/zinc/25/78/62/211257862.db2.gz GVSVOCLFFOGHIM-AWEZNQCLSA-N 1 1 392.887 3.671 50 0 GHAAMO Cc1cc2c(cccc2NC(=O)NCC[N@H+]2CC[C@H](c3ccccc3)C2)nn1 ZINC000095505083 211256890 /nfs/dbraw/zinc/25/68/90/211256890.db2.gz ZRBQSIRSTWIKGU-SFHVURJKSA-N 1 1 375.476 3.549 50 0 GHAAMO CCc1nc(C)sc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095355200 211222208 /nfs/dbraw/zinc/22/22/08/211222208.db2.gz IDETZGBNDBIKTI-FUHWJXTLSA-N 1 1 387.524 3.890 50 0 GHAAMO CCc1nc(C)sc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000095355200 211222212 /nfs/dbraw/zinc/22/22/12/211222212.db2.gz IDETZGBNDBIKTI-FUHWJXTLSA-N 1 1 387.524 3.890 50 0 GHAAMO c1nc(N2CCCC2)sc1CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000095392271 211236246 /nfs/dbraw/zinc/23/62/46/211236246.db2.gz BMSJKOAIGRRVMK-VQTJNVASSA-N 1 1 382.577 3.840 50 0 GHAAMO CCc1cc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)ccn1 ZINC000095389300 211236360 /nfs/dbraw/zinc/23/63/60/211236360.db2.gz XLWXGLRTEJGNKQ-OAQYLSRUSA-N 1 1 377.532 3.986 50 0 GHAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)Cc2cccc(C)c2)C3)cc1 ZINC000091906688 211209596 /nfs/dbraw/zinc/20/95/96/211209596.db2.gz OMVUEGLHLMPOQQ-FCHUYYIVSA-N 1 1 378.516 3.669 50 0 GHAAMO COc1cccc(OC)c1C[N@H+]1CC[C@]2(C1)CCCN(C1CCCCC1)C2=O ZINC000091745315 211205233 /nfs/dbraw/zinc/20/52/33/211205233.db2.gz WRFMCQAWCREVBW-QHCPKHFHSA-N 1 1 386.536 3.851 50 0 GHAAMO CCNc1ncc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)cn1 ZINC000091351219 211189431 /nfs/dbraw/zinc/18/94/31/211189431.db2.gz IGSKFHQVSTXWOL-OAQYLSRUSA-N 1 1 379.552 3.610 50 0 GHAAMO CCNc1ncc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)cn1 ZINC000091351219 211189438 /nfs/dbraw/zinc/18/94/38/211189438.db2.gz IGSKFHQVSTXWOL-OAQYLSRUSA-N 1 1 379.552 3.610 50 0 GHAAMO C[N@@H+](CC[S@@](=O)c1ccccc1)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000089346417 211179242 /nfs/dbraw/zinc/17/92/42/211179242.db2.gz NWHZCAHXAPWAHK-NDEPHWFRSA-N 1 1 399.560 3.670 50 0 GHAAMO COc1cccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(C)cc3)C2)c1OC ZINC000077405948 211132416 /nfs/dbraw/zinc/13/24/16/211132416.db2.gz NROBUMAPAJKJSV-LJQANCHMSA-N 1 1 382.504 3.654 50 0 GHAAMO Cc1ccc2cc(C[N@H+]3CCCC(CO)(CO)C3)c(-c3cccs3)nc2c1 ZINC000072480536 211124245 /nfs/dbraw/zinc/12/42/45/211124245.db2.gz KSAJJMMSZREJLV-UHFFFAOYSA-N 1 1 382.529 3.839 50 0 GHAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072474563 211123310 /nfs/dbraw/zinc/12/33/10/211123310.db2.gz JDDBMGNRMMTJLZ-UHFFFAOYSA-N 1 1 377.488 3.814 50 0 GHAAMO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@@H+]2CCC[C@H]2C(N)=O)c(C)s1 ZINC000072454260 211122083 /nfs/dbraw/zinc/12/20/83/211122083.db2.gz AFMMUNDFHPCDTG-IBGZPJMESA-N 1 1 398.507 3.806 50 0 GHAAMO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+]2CCC[C@H]2C(N)=O)c(C)s1 ZINC000072454260 211122085 /nfs/dbraw/zinc/12/20/85/211122085.db2.gz AFMMUNDFHPCDTG-IBGZPJMESA-N 1 1 398.507 3.806 50 0 GHAAMO Cc1cccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000072436303 211119285 /nfs/dbraw/zinc/11/92/85/211119285.db2.gz QTDONQYSFXIBQL-GOTSBHOMSA-N 1 1 375.516 3.625 50 0 GHAAMO Cc1cccc(-c2nc3cc(C)ccc3cc2C[N@H+]2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000072436303 211119290 /nfs/dbraw/zinc/11/92/90/211119290.db2.gz QTDONQYSFXIBQL-GOTSBHOMSA-N 1 1 375.516 3.625 50 0 GHAAMO Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH+]3CCN(C(N)=O)CC3)cc2c1 ZINC000072432982 211118871 /nfs/dbraw/zinc/11/88/71/211118871.db2.gz LZVMXUZIIFRTNR-UHFFFAOYSA-N 1 1 378.451 3.546 50 0 GHAAMO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1c(C(=O)N2CCCC2)nc2ccccn21 ZINC000071764151 211059659 /nfs/dbraw/zinc/05/96/59/211059659.db2.gz RKDVZBGRRRUWTG-MRXNPFEDSA-N 1 1 380.467 3.902 50 0 GHAAMO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1c(C(=O)N2CCCC2)nc2ccccn21 ZINC000071764151 211059663 /nfs/dbraw/zinc/05/96/63/211059663.db2.gz RKDVZBGRRRUWTG-MRXNPFEDSA-N 1 1 380.467 3.902 50 0 GHAAMO CC(C)[C@H]1CN(C(=O)Cc2ccccc2O)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071753692 211056441 /nfs/dbraw/zinc/05/64/41/211056441.db2.gz NTOQFWADUXKCJX-OAQYLSRUSA-N 1 1 384.495 3.833 50 0 GHAAMO CC(C)c1cc(C[N@@H+](C)C[C@]2(O)CCCN(CCC3CCCCC3)C2=O)on1 ZINC000067965425 211031693 /nfs/dbraw/zinc/03/16/93/211031693.db2.gz LCUIFVMPBUFQHG-JOCHJYFZSA-N 1 1 391.556 3.554 50 0 GHAAMO Cc1ccc(-c2nc(CNc3nc(N(C)C)cc[nH+]3)[nH]c2-c2ccccn2)cc1 ZINC000067920902 211029619 /nfs/dbraw/zinc/02/96/19/211029619.db2.gz MNWKZVCCBFVOKL-UHFFFAOYSA-N 1 1 385.475 3.915 50 0 GHAAMO Cc1ccc(-c2[nH]c(CNc3nc(N(C)C)cc[nH+]3)nc2-c2ccccn2)cc1 ZINC000067920902 211029623 /nfs/dbraw/zinc/02/96/23/211029623.db2.gz MNWKZVCCBFVOKL-UHFFFAOYSA-N 1 1 385.475 3.915 50 0 GHAAMO CN(C[C@H]1CCCC[N@H+]1C)C(=O)c1cc(COc2ccc(F)cc2Cl)on1 ZINC000067688703 211017861 /nfs/dbraw/zinc/01/78/61/211017861.db2.gz ZKYKDRYJZPDQMJ-CQSZACIVSA-N 1 1 395.862 3.602 50 0 GHAAMO CC(=O)N(C)[C@H]1CC[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)C1 ZINC000067714586 211016593 /nfs/dbraw/zinc/01/65/93/211016593.db2.gz OPYJMTNYAIJHRU-INIZCTEOSA-N 1 1 381.398 3.721 50 0 GHAAMO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)C1 ZINC000067714586 211016595 /nfs/dbraw/zinc/01/65/95/211016595.db2.gz OPYJMTNYAIJHRU-INIZCTEOSA-N 1 1 381.398 3.721 50 0 GHAAMO CC(C)c1ccc(CN2CCC[C@@](O)(C[N@@H+](C)Cc3ccc(F)cc3)C2=O)cc1 ZINC000067654697 211016179 /nfs/dbraw/zinc/01/61/79/211016179.db2.gz KPXVCERUHSJRHY-XMMPIXPASA-N 1 1 398.522 3.935 50 0 GHAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000054720396 210878355 /nfs/dbraw/zinc/87/83/55/210878355.db2.gz JMDIKERZCWUWIL-URVUXULASA-N 1 1 392.547 3.648 50 0 GHAAMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000047938068 210844847 /nfs/dbraw/zinc/84/48/47/210844847.db2.gz GJKHVAPVJQARJD-INIZCTEOSA-N 1 1 385.471 3.868 50 0 GHAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)c2ccc(Oc3ccccc3)nc2)ccn1 ZINC000048313512 210852711 /nfs/dbraw/zinc/85/27/11/210852711.db2.gz MKTQPLMYVDWZRE-UHFFFAOYSA-N 1 1 385.427 3.693 50 0 GHAAMO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccc3c(c2)CCCC3)on1)c1ccco1 ZINC000021805559 210396141 /nfs/dbraw/zinc/39/61/41/210396141.db2.gz UKGYBHSSAZLIJM-IBGZPJMESA-N 1 1 379.460 3.846 50 0 GHAAMO COc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccc(C)cc2)on1)[NH+](C)C ZINC000021805565 210395773 /nfs/dbraw/zinc/39/57/73/210395773.db2.gz QPWMXOJQFUODPL-LJQANCHMSA-N 1 1 379.460 3.691 50 0 GHAAMO COc1cccc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@H+](C)CC3)c1 ZINC000020927111 210369740 /nfs/dbraw/zinc/36/97/40/210369740.db2.gz SZPPNHJCXBDIJU-UHFFFAOYSA-N 1 1 396.516 3.857 50 0 GHAAMO CCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@@H+](C)C3 ZINC000020814078 210362822 /nfs/dbraw/zinc/36/28/22/210362822.db2.gz ZCCRPFGMZRVLRU-UHFFFAOYSA-N 1 1 385.558 3.996 50 0 GHAAMO CCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@H+](C)C3 ZINC000020814078 210362825 /nfs/dbraw/zinc/36/28/25/210362825.db2.gz ZCCRPFGMZRVLRU-UHFFFAOYSA-N 1 1 385.558 3.996 50 0 GHAAMO Fc1ccc(C[C@@H]2C[N@H+](Cc3ccc(Oc4ncccn4)cc3)CCO2)cc1 ZINC000020600835 210351072 /nfs/dbraw/zinc/35/10/72/210351072.db2.gz UFCMFNZXMIBXSL-OAQYLSRUSA-N 1 1 379.435 3.852 50 0 GHAAMO Fc1ccc(C[C@@H]2C[N@@H+](Cc3ccc(Oc4ncccn4)cc3)CCO2)cc1 ZINC000020600835 210351077 /nfs/dbraw/zinc/35/10/77/210351077.db2.gz UFCMFNZXMIBXSL-OAQYLSRUSA-N 1 1 379.435 3.852 50 0 GHAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2c(F)cccc2F)CC1 ZINC000020288138 210327722 /nfs/dbraw/zinc/32/77/22/210327722.db2.gz JIVMIQYHTKQFAV-AUUYWEPGSA-N 1 1 393.503 3.523 50 0 GHAAMO CC[C@H](C)NC(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000020453908 210335805 /nfs/dbraw/zinc/33/58/05/210335805.db2.gz VVINXJAGIIWNGA-FQEVSTJZSA-N 1 1 385.596 3.710 50 0 GHAAMO COCC[N@H+]1CCC[C@@]2(CCN(CC3=Cc4cc(Cl)ccc4OC3)C2)C1 ZINC000020209566 210322463 /nfs/dbraw/zinc/32/24/63/210322463.db2.gz XIRSQSYYWBTXCA-OAQYLSRUSA-N 1 1 376.928 3.550 50 0 GHAAMO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000020109748 210315910 /nfs/dbraw/zinc/31/59/10/210315910.db2.gz XBQSASQTACELNN-SFHVURJKSA-N 1 1 395.330 3.864 50 0 GHAAMO COc1cccc(OC)c1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019855150 210302425 /nfs/dbraw/zinc/30/24/25/210302425.db2.gz WORNYIIJZROOGF-UHFFFAOYSA-N 1 1 390.483 3.815 50 0 GHAAMO O[C@H]1[C@H]([NH+]2CCCC2)c2ccccc2C12CCN(C/C=C/c1ccco1)CC2 ZINC000019853273 210301362 /nfs/dbraw/zinc/30/13/62/210301362.db2.gz ZJDOXTUKLUCBRB-BERBRYSFSA-N 1 1 378.516 3.838 50 0 GHAAMO CC(C)(C)c1ccc(OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000019902136 210307743 /nfs/dbraw/zinc/30/77/43/210307743.db2.gz KMGZUXIQZVXEOK-UHFFFAOYSA-N 1 1 388.552 3.514 50 0 GHAAMO CCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000019925511 210307426 /nfs/dbraw/zinc/30/74/26/210307426.db2.gz HYRXACQMPVKSCO-KRWDZBQOSA-N 1 1 393.270 3.814 50 0 GHAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3ccccc3C)C2)CC1 ZINC000019772213 210296745 /nfs/dbraw/zinc/29/67/45/210296745.db2.gz SKOCAYYXIZTJJO-QFIPXVFZSA-N 1 1 379.548 3.790 50 0 GHAAMO Cc1ccccc1C[N@H+]1CCN(Cc2cccc3cccnc32)C[C@@H]1CCO ZINC000019641639 210277548 /nfs/dbraw/zinc/27/75/48/210277548.db2.gz JODNAOIPAJJUON-QHCPKHFHSA-N 1 1 375.516 3.612 50 0 GHAAMO Cc1ccccc1CN1CC[N@H+](Cc2cccc3cccnc32)C[C@@H]1CCO ZINC000019641639 210277554 /nfs/dbraw/zinc/27/75/54/210277554.db2.gz JODNAOIPAJJUON-QHCPKHFHSA-N 1 1 375.516 3.612 50 0 GHAAMO Cc1ccccc1CN1CC[N@@H+](Cc2cccc3cccnc32)C[C@@H]1CCO ZINC000019641639 210277561 /nfs/dbraw/zinc/27/75/61/210277561.db2.gz JODNAOIPAJJUON-QHCPKHFHSA-N 1 1 375.516 3.612 50 0 GHAAMO c1cc(CN[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)n(-c2nccs2)c1 ZINC000019607160 210275312 /nfs/dbraw/zinc/27/53/12/210275312.db2.gz BMWCRCCOAITRQY-IBGZPJMESA-N 1 1 378.545 3.655 50 0 GHAAMO c1cc(CN[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)n(-c2nccs2)c1 ZINC000019607160 210275316 /nfs/dbraw/zinc/27/53/16/210275316.db2.gz BMWCRCCOAITRQY-IBGZPJMESA-N 1 1 378.545 3.655 50 0 GHAAMO CC(=O)c1ccc(C(=O)N(CCc2ccccc2)C[C@H]2CCC[N@H+](C)C2)s1 ZINC000011933348 221137785 /nfs/dbraw/zinc/13/77/85/221137785.db2.gz JDLKNGQVOQUCSV-IBGZPJMESA-N 1 1 384.545 3.977 50 0 GHAAMO C[C@H]1c2cccn2CC[N@H+]1Cc1ccc(C(=O)Nc2ccccc2CO)cc1 ZINC000065424089 222130027 /nfs/dbraw/zinc/13/00/27/222130027.db2.gz FOKGOFBQOCCYFZ-KRWDZBQOSA-N 1 1 375.472 3.810 50 0 GHAAMO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(C(=O)Nc2ccccc2CO)cc1 ZINC000065424089 222130031 /nfs/dbraw/zinc/13/00/31/222130031.db2.gz FOKGOFBQOCCYFZ-KRWDZBQOSA-N 1 1 375.472 3.810 50 0 GHAAMO CC(C)[N@H+]1CCCC[C@@H]1CCNC(=O)N(C)Cc1nnc(-c2ccccc2)o1 ZINC000426529313 529004595 /nfs/dbraw/zinc/00/45/95/529004595.db2.gz NOFDFSMQVLSGIH-GOSISDBHSA-N 1 1 385.512 3.531 50 0 GHAAMO CCc1nc2c(ncnc2N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)o1 ZINC000096163988 536154318 /nfs/dbraw/zinc/15/43/18/536154318.db2.gz DJQYAQIQQSYSIA-GOSISDBHSA-N 1 1 391.519 3.886 50 0 GHAAMO Cc1csc2nc(C[NH+]3CCC(Oc4ccc(C)c(C)c4)CC3)cc(=O)n12 ZINC000048289240 570228488 /nfs/dbraw/zinc/22/84/88/570228488.db2.gz DBGGWWNAQZAOFD-UHFFFAOYSA-N 1 1 383.517 3.725 50 0 GHAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000035267056 570278462 /nfs/dbraw/zinc/27/84/62/570278462.db2.gz YLSGMJZIEQVVCE-FOIQADDNSA-N 1 1 386.467 3.857 50 0 GHAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000035267056 570278465 /nfs/dbraw/zinc/27/84/65/570278465.db2.gz YLSGMJZIEQVVCE-FOIQADDNSA-N 1 1 386.467 3.857 50 0 GHAAMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012284679 570281699 /nfs/dbraw/zinc/28/16/99/570281699.db2.gz JXHACHHWWUVFLH-QUCCMNQESA-N 1 1 379.504 3.557 50 0 GHAAMO COc1ccccc1C[NH+]1CCN(Cc2cn(-c3ccccc3)nc2C)CC1 ZINC000215280617 570286873 /nfs/dbraw/zinc/28/68/73/570286873.db2.gz BMUVWDQNYHBEQD-UHFFFAOYSA-N 1 1 376.504 3.507 50 0 GHAAMO Cc1cccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccco4)CC3)nc2)c1 ZINC000034681583 570299816 /nfs/dbraw/zinc/29/98/16/570299816.db2.gz XAUKZCZREAUSNY-UHFFFAOYSA-N 1 1 376.460 3.558 50 0 GHAAMO O=C(Cc1ccccc1)Nc1ccc(N2CCC[N@@H+](Cc3ccco3)CC2)nc1 ZINC000034681760 570299902 /nfs/dbraw/zinc/29/99/02/570299902.db2.gz FJNRZSHJESPUSV-UHFFFAOYSA-N 1 1 390.487 3.568 50 0 GHAAMO COCCNC(=O)[C@H]1C[C@@H](c2cccc(C)c2)C[N@@H+](Cc2ccccc2F)C1 ZINC000034711170 570302991 /nfs/dbraw/zinc/30/29/91/570302991.db2.gz HTHPLZMOORGFHR-RTWAWAEBSA-N 1 1 384.495 3.502 50 0 GHAAMO CSc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 ZINC000012327296 570315489 /nfs/dbraw/zinc/31/54/89/570315489.db2.gz WXPMONZNSANOQX-MRXNPFEDSA-N 1 1 383.517 3.698 50 0 GHAAMO CSc1cccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 ZINC000012327296 570315491 /nfs/dbraw/zinc/31/54/91/570315491.db2.gz WXPMONZNSANOQX-MRXNPFEDSA-N 1 1 383.517 3.698 50 0 GHAAMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000023356037 570356365 /nfs/dbraw/zinc/35/63/65/570356365.db2.gz UHYIAKMAELRXKH-GUYCJALGSA-N 1 1 393.430 3.609 50 0 GHAAMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000023356037 570356368 /nfs/dbraw/zinc/35/63/68/570356368.db2.gz UHYIAKMAELRXKH-GUYCJALGSA-N 1 1 393.430 3.609 50 0 GHAAMO Cc1ccc(C2=NC3(CC[NH+](Cc4ccccc4Cl)CC3)NC2=O)cc1C ZINC000035430849 570357424 /nfs/dbraw/zinc/35/74/24/570357424.db2.gz VHTQTOSEODDWKG-UHFFFAOYSA-N 1 1 381.907 3.868 50 0 biogenic GHAAMO Cc1nc2ccc(C(=O)N3CC[C@]4(C3)CCC[N@@H+](CC3CC3)C4)cc2nc1C ZINC000023380054 570359515 /nfs/dbraw/zinc/35/95/15/570359515.db2.gz CBPAACAGJIOGLD-HSZRJFAPSA-N 1 1 378.520 3.585 50 0 GHAAMO COc1cccc(-c2ccc(N3CCC([NH2+]Cc4nnc(C)o4)CC3)cc2)c1 ZINC000023581538 570365874 /nfs/dbraw/zinc/36/58/74/570365874.db2.gz CSKLIMUXGOKNIB-UHFFFAOYSA-N 1 1 378.476 3.812 50 0 GHAAMO CC1(C)[C@H](OC[C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)[C@]2(C)CC[C@H]1C2 ZINC000239309700 570429075 /nfs/dbraw/zinc/42/90/75/570429075.db2.gz HTSQZYKYGVUADL-KXXHFCIOSA-N 1 1 390.543 3.540 50 0 GHAAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000240244192 570430764 /nfs/dbraw/zinc/43/07/64/570430764.db2.gz DKSOWJJHTAIXHP-BAYUQKDNSA-N 1 1 386.536 3.722 50 0 GHAAMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000241124300 570431339 /nfs/dbraw/zinc/43/13/39/570431339.db2.gz JHBPFXIYYZOJBQ-PXNSSMCTSA-N 1 1 380.488 3.814 50 0 GHAAMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000241124300 570431341 /nfs/dbraw/zinc/43/13/41/570431341.db2.gz JHBPFXIYYZOJBQ-PXNSSMCTSA-N 1 1 380.488 3.814 50 0 GHAAMO CCC[N@@H+](CC(=O)NCC(=O)Nc1cccc(Cl)c1C)Cc1ccccc1 ZINC000026295097 570462784 /nfs/dbraw/zinc/46/27/84/570462784.db2.gz FWZRNBLKROPSEB-UHFFFAOYSA-N 1 1 387.911 3.615 50 0 GHAAMO CC(C)CNC(=O)c1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000029489535 570475285 /nfs/dbraw/zinc/47/52/85/570475285.db2.gz LMQSJFZSTHESDZ-OAQYLSRUSA-N 1 1 379.504 3.630 50 0 GHAAMO CCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000029927130 570482885 /nfs/dbraw/zinc/48/28/85/570482885.db2.gz JDGYJMVQEDTKPL-QGZVFWFLSA-N 1 1 381.520 3.795 50 0 GHAAMO O[C@H](COc1ccc(Cl)cc1)C[N@@H+](Cc1ccccc1F)C[C@H]1CCCO1 ZINC000036030955 570517358 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CCCCNC(=O)[C@@H]1C[C@H](COc2ccc(C)nc2)C[N@@H+](Cc2ccccc2)C1 ZINC000014748721 919340740 /nfs/dbraw/zinc/34/07/40/919340740.db2.gz YWSITHMXURRZPE-FCHUYYIVSA-N 1 1 395.547 3.823 50 0 GHAAMO O=C1CC[C@@H](N2CCC([NH+]3CCCCC3)CC2)CCN1CC1CCCCC1 ZINC000015002084 919353023 /nfs/dbraw/zinc/35/30/23/919353023.db2.gz ONHXGOTXQYQPSJ-OAQYLSRUSA-N 1 1 375.601 3.898 50 0 GHAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+]2C2CCN(C)CC2)cc1 ZINC000015071899 919358909 /nfs/dbraw/zinc/35/89/09/919358909.db2.gz UYHKAZPLZAVPQJ-HSZRJFAPSA-N 1 1 393.531 3.859 50 0 GHAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+]2C2CCN(C)CC2)cc1 ZINC000015071899 919359015 /nfs/dbraw/zinc/35/90/15/919359015.db2.gz UYHKAZPLZAVPQJ-HSZRJFAPSA-N 1 1 393.531 3.859 50 0 GHAAMO COc1cc(C[N@H+]2CCC[C@@H](N3CCOCC3)C2)ccc1OCc1ccccc1 ZINC000019789117 919596772 /nfs/dbraw/zinc/59/67/72/919596772.db2.gz IZRPYPUWZMIBAD-JOCHJYFZSA-N 1 1 396.531 3.571 50 0 GHAAMO COCCC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1c[nH]nc1C1CCCCC1)CC2 ZINC000019842501 919600179 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/nfs/dbraw/zinc/13/91/88/210139188.db2.gz DBLYNJBNMHFTRG-IBGZPJMESA-N 1 1 387.911 3.668 50 0 GHAAMO COc1cccc(-c2nc3ccc(C(=O)NCC[C@@H]4CCC[N@H+]4C)cc3o2)c1 ZINC000014963558 210133990 /nfs/dbraw/zinc/13/39/90/210133990.db2.gz JGXNIENFCRNSMS-KRWDZBQOSA-N 1 1 379.460 3.718 50 0 GHAAMO CC(C)N1CCC([N@@H+]2CCC[C@H](C(=O)NC3C4CC5CC(C4)CC3C5)C2)CC1 ZINC000014953864 210133540 /nfs/dbraw/zinc/13/35/40/210133540.db2.gz YEJQTXDLIRAUGJ-WBOGLDCHSA-N 1 1 387.612 3.512 50 0 GHAAMO CC(C)N1CCC([N@H+]2CCC[C@H](C(=O)NC3C4CC5CC(C4)CC3C5)C2)CC1 ZINC000014953864 210133547 /nfs/dbraw/zinc/13/35/47/210133547.db2.gz YEJQTXDLIRAUGJ-WBOGLDCHSA-N 1 1 387.612 3.512 50 0 GHAAMO COc1cccc(C[C@]2(CO)CCC[N@@H+](Cc3cnn(-c4ccccc4)c3)C2)c1 ZINC000013593419 210071198 /nfs/dbraw/zinc/07/11/98/210071198.db2.gz LODWRHCGKZZRLW-XMMPIXPASA-N 1 1 391.515 3.698 50 0 GHAAMO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cccn3-c3ccccn3)C2)c1 ZINC000013593204 210070773 /nfs/dbraw/zinc/07/07/73/210070773.db2.gz HVVHDNYBQNECKR-LJQANCHMSA-N 1 1 375.472 3.976 50 0 GHAAMO Cc1cccc(NC(=O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000012982252 210039138 /nfs/dbraw/zinc/03/91/38/210039138.db2.gz FUZPKIULJCKZFG-UHFFFAOYSA-N 1 1 392.425 3.560 50 0 GHAAMO Cc1cccc(NC(=O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000012982252 210039141 /nfs/dbraw/zinc/03/91/41/210039141.db2.gz FUZPKIULJCKZFG-UHFFFAOYSA-N 1 1 392.425 3.560 50 0 GHAAMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000012881556 210022220 /nfs/dbraw/zinc/02/22/20/210022220.db2.gz LGPXHEHOMZNCAE-IBGZPJMESA-N 1 1 382.460 3.632 50 0 GHAAMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000012881556 210022226 /nfs/dbraw/zinc/02/22/26/210022226.db2.gz LGPXHEHOMZNCAE-IBGZPJMESA-N 1 1 382.460 3.632 50 0 GHAAMO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)N[C@@H]1CCCc2ccccc21 ZINC000012797487 210011592 /nfs/dbraw/zinc/01/15/92/210011592.db2.gz LIEJHWVAFAYFQV-DENIHFKCSA-N 1 1 391.515 3.531 50 0 GHAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccco1 ZINC000012749307 210000741 /nfs/dbraw/zinc/00/07/41/210000741.db2.gz RHZQTJRVAWLXKK-IBGZPJMESA-N 1 1 377.444 3.565 50 0 GHAAMO COCCN(C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)C1CCCC1 ZINC000012596999 209983075 /nfs/dbraw/zinc/98/30/75/209983075.db2.gz RFJZUISJXPNQNV-LJQANCHMSA-N 1 1 384.564 3.531 50 0 GHAAMO Cc1ccc(C)c(NC(=O)CSc2nnc([C@@H]([NH3+])Cc3ccccc3)o2)c1 ZINC000005070009 209565357 /nfs/dbraw/zinc/56/53/57/209565357.db2.gz ITXYOWWVOVXMOV-INIZCTEOSA-N 1 1 382.489 3.660 50 0 GHAAMO COCCn1ccc2cc(C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)ccc21 ZINC000253402691 209217427 /nfs/dbraw/zinc/21/74/27/209217427.db2.gz GOULDPXYEPMANM-LEWJYISDSA-N 1 1 383.536 3.624 50 0 biogenic GHAAMO C[NH+](C)[C@@H]1CC[N@@H+](CC(c2ccccc2)c2ccccc2)C[C@@H]1CCC(=O)[O-] ZINC000299783288 212036888 /nfs/dbraw/zinc/03/68/88/212036888.db2.gz YCXCCXJETOHIST-JTHBVZDNSA-N 1 1 380.532 3.935 50 0 GHAAMO Cc1ccc(CNc2nc(C[N@@H+]3CCCC[C@@H]3CO)nc3ccccc32)cc1 ZINC000299756400 212030453 /nfs/dbraw/zinc/03/04/53/212030453.db2.gz HVXMNBQLDHDOCV-LJQANCHMSA-N 1 1 376.504 3.897 50 0 GHAAMO Cc1ccc(CNc2nc(C[N@H+]3CCCC[C@@H]3CO)nc3ccccc32)cc1 ZINC000299756400 212030459 /nfs/dbraw/zinc/03/04/59/212030459.db2.gz HVXMNBQLDHDOCV-LJQANCHMSA-N 1 1 376.504 3.897 50 0 GHAAMO Cn1cc(C[C@@H]2CC[N@H+]([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C2)cn1 ZINC000328594283 209144149 /nfs/dbraw/zinc/14/41/49/209144149.db2.gz PSORVTMGAFRIOZ-HTAPYJJXSA-N 1 1 392.478 3.804 50 0 GHAAMO Cc1noc(CCNc2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)n1 ZINC000095938943 211283604 /nfs/dbraw/zinc/28/36/04/211283604.db2.gz RGSQPDNWBHVEMY-UHFFFAOYSA-N 1 1 394.504 3.766 50 0 GHAAMO Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1cc3ccccc3o1)C2 ZINC000095527283 211272972 /nfs/dbraw/zinc/27/29/72/211272972.db2.gz OXDKBIHKTCGFIB-ZWKOTPCHSA-N 1 1 379.460 3.661 50 0 GHAAMO Cc1ccc([C@@H](C)CC[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)o1 ZINC000095503328 211254706 /nfs/dbraw/zinc/25/47/06/211254706.db2.gz ACXINXULHXKMGY-INIZCTEOSA-N 1 1 396.535 3.591 50 0 GHAAMO O=C(c1cccc2nccnc21)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000095387002 211234071 /nfs/dbraw/zinc/23/40/71/211234071.db2.gz HIRPXIXFOURFBH-PKOBYXMFSA-N 1 1 390.462 3.506 50 0 GHAAMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3OC)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095365988 211225272 /nfs/dbraw/zinc/22/52/72/211225272.db2.gz IWCXOSTXZMIALD-QPTUXGOLSA-N 1 1 378.516 3.766 50 0 GHAAMO Cc1cnc(CN2C[C@@]3(CCC[N@@H+](Cc4ccc(C)c(C)c4)C3)CCC2=O)cn1 ZINC000091690046 211203799 /nfs/dbraw/zinc/20/37/99/211203799.db2.gz KZXBNXRQESEVSW-DEOSSOPVSA-N 1 1 392.547 3.807 50 0 GHAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1)c1cccs1 ZINC000077555876 211137819 /nfs/dbraw/zinc/13/78/19/211137819.db2.gz DRJSGHRLQHVQII-GOSISDBHSA-N 1 1 380.517 3.576 50 0 GHAAMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000075358639 211127676 /nfs/dbraw/zinc/12/76/76/211127676.db2.gz ARWOORIAKZYBOH-WOJBJXKFSA-N 1 1 375.509 3.682 50 0 GHAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[NH+]2CCN(C)CC2)cc1OC ZINC000072435429 211120144 /nfs/dbraw/zinc/12/01/44/211120144.db2.gz QQVXTYDSNQVKQC-UHFFFAOYSA-N 1 1 391.515 3.975 50 0 GHAAMO Cc1cc(C)n(Cc2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)cc2)n1 ZINC000072448445 211119727 /nfs/dbraw/zinc/11/97/27/211119727.db2.gz DRYZOPURUNBCOJ-HSZRJFAPSA-N 1 1 388.515 3.677 50 0 GHAAMO Cc1cc(C)n(Cc2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)cc2)n1 ZINC000072448445 211119729 /nfs/dbraw/zinc/11/97/29/211119729.db2.gz DRYZOPURUNBCOJ-HSZRJFAPSA-N 1 1 388.515 3.677 50 0 GHAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CC[C@H](NC(C)=O)C2)cc1 ZINC000072430499 211117286 /nfs/dbraw/zinc/11/72/86/211117286.db2.gz DPNBQMGDNKAFKB-NRFANRHFSA-N 1 1 389.499 3.929 50 0 GHAAMO CC(C)Oc1ccc2c(c1)n(Cc1ccccc1)nc2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000072407154 211113808 /nfs/dbraw/zinc/11/38/08/211113808.db2.gz ARWYQFNDASCYFB-GOSISDBHSA-N 1 1 392.503 3.762 50 0 GHAAMO Cc1oc(-c2ccccc2Cl)nc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000072407810 211113244 /nfs/dbraw/zinc/11/32/44/211113244.db2.gz SJBXJNQXIHXILZ-MRXNPFEDSA-N 1 1 375.900 3.600 50 0 GHAAMO Cc1c2ccccc2[nH]c1C(=O)N1CCC[C@@H]([N@@H+](C)CCc2ccccn2)C1 ZINC000072173959 211082352 /nfs/dbraw/zinc/08/23/52/211082352.db2.gz SPZFEBCEOFJMAD-LJQANCHMSA-N 1 1 376.504 3.650 50 0 GHAAMO C[N@@H+](CCc1ccccc1)C1(C(=O)NCCc2ccco2)Cc2ccccc2C1 ZINC000072138863 211073897 /nfs/dbraw/zinc/07/38/97/211073897.db2.gz HMZVCSXJYNJGNG-UHFFFAOYSA-N 1 1 388.511 3.650 50 0 GHAAMO c1cc([C@@H]2CCCCO2)oc1C[NH+]1CCN(c2ncnc3ccccc32)CC1 ZINC000072133773 211073493 /nfs/dbraw/zinc/07/34/93/211073493.db2.gz JLABSMAEIWXMRN-FQEVSTJZSA-N 1 1 378.476 3.787 50 0 GHAAMO Cc1cccc(CNC(=O)C2([N@@H+](C)CCc3ccccc3)Cc3ccccc3C2)n1 ZINC000072141965 211073005 /nfs/dbraw/zinc/07/30/05/211073005.db2.gz VMDAYUGNSSLNDI-UHFFFAOYSA-N 1 1 399.538 3.718 50 0 GHAAMO Cc1ccc(NC(=O)NCCNc2cc(Nc3ccccn3)nc(C)[nH+]2)c(C)c1 ZINC000090608004 211037373 /nfs/dbraw/zinc/03/73/73/211037373.db2.gz CXUVIJCEKSAONC-UHFFFAOYSA-N 1 1 391.479 3.774 50 0 GHAAMO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000069879471 211040726 /nfs/dbraw/zinc/04/07/26/211040726.db2.gz FQHHULXIJYTSBW-MJGOQNOKSA-N 1 1 377.488 3.630 50 0 GHAAMO Cc1c[nH+]c(NCc2nc(-c3ccccn3)c(-c3cccc(F)c3)[nH]2)nc1N ZINC000067895815 211029987 /nfs/dbraw/zinc/02/99/87/211029987.db2.gz GQUHNURXONQZEJ-UHFFFAOYSA-N 1 1 375.411 3.571 50 0 GHAAMO Cc1c[nH+]c(NCc2nc(-c3cccc(F)c3)c(-c3ccccn3)[nH]2)nc1N ZINC000067895815 211029989 /nfs/dbraw/zinc/02/99/89/211029989.db2.gz GQUHNURXONQZEJ-UHFFFAOYSA-N 1 1 375.411 3.571 50 0 GHAAMO CN1CCC2(CC1)CN(C(=O)c1ccccc1-c1ccccc1)CCC[N@H+]2C ZINC000067755481 211018670 /nfs/dbraw/zinc/01/86/70/211018670.db2.gz QQYRGQBAAAHPOP-UHFFFAOYSA-N 1 1 377.532 3.596 50 0 GHAAMO CN1CCCN(C(=O)c2ccccc2-c2ccccc2)CC12CC[NH+](C)CC2 ZINC000067755481 211018673 /nfs/dbraw/zinc/01/86/73/211018673.db2.gz QQYRGQBAAAHPOP-UHFFFAOYSA-N 1 1 377.532 3.596 50 0 GHAAMO CCCc1nc2c(cnn2-c2ccccc2)c(N2CCC[N@@H+](CC(C)C)CC2)n1 ZINC000035925688 210699830 /nfs/dbraw/zinc/69/98/30/210699830.db2.gz DLOLGQFGILVCQB-UHFFFAOYSA-N 1 1 392.551 3.936 50 0 GHAAMO COc1ccc(/C=C/CN2CC[N@@H+](Cc3ccccc3C)[C@@H](CCO)C2)cc1 ZINC000020774733 210361744 /nfs/dbraw/zinc/36/17/44/210361744.db2.gz AEEKYNBDTPOBML-BVBLWJPBSA-N 1 1 380.532 3.586 50 0 GHAAMO COc1ccccc1C[N@H+]1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000020542573 210345501 /nfs/dbraw/zinc/34/55/01/210345501.db2.gz HAFBHEFGOLKDLU-HXUWFJFHSA-N 1 1 383.511 3.621 50 0 GHAAMO OCC[C@H]1C[N@H+](Cc2cc3ccccc3[nH]2)CCN1Cc1ccc(F)c(F)c1 ZINC000020322147 210326537 /nfs/dbraw/zinc/32/65/37/210326537.db2.gz PMQVTMPRTQRIQH-IBGZPJMESA-N 1 1 385.458 3.515 50 0 GHAAMO OCC[C@H]1C[N@@H+](Cc2cc3ccccc3[nH]2)CCN1Cc1ccc(F)c(F)c1 ZINC000020322147 210326540 /nfs/dbraw/zinc/32/65/40/210326540.db2.gz PMQVTMPRTQRIQH-IBGZPJMESA-N 1 1 385.458 3.515 50 0 GHAAMO Cc1ccc(C)n1CC[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000020223897 210324203 /nfs/dbraw/zinc/32/42/03/210324203.db2.gz OHLOKXCPLCAMLG-UHFFFAOYSA-N 1 1 379.426 3.582 50 0 GHAAMO C[N@@H+](C1CCN(Cc2cccnc2)CC1)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000020406340 210332117 /nfs/dbraw/zinc/33/21/17/210332117.db2.gz FOBCRSGZVSKFMD-VWLOTQADSA-N 1 1 392.591 3.685 50 0 GHAAMO CCOc1ccc(-c2cc(C(=O)N3CC[NH+](C)CC3)c3ccccc3n2)cc1 ZINC000020177001 210322061 /nfs/dbraw/zinc/32/20/61/210322061.db2.gz SBIHYFXAQCCJKP-UHFFFAOYSA-N 1 1 375.472 3.688 50 0 GHAAMO CCn1cc(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](CCO)C2)c2ccccc21 ZINC000020201461 210321330 /nfs/dbraw/zinc/32/13/30/210321330.db2.gz CRUVUPPRHYCQPD-QFIPXVFZSA-N 1 1 377.532 3.730 50 0 GHAAMO CCn1cc(C[N@H+]2CCN(Cc3ccccc3)[C@@H](CCO)C2)c2ccccc21 ZINC000020201461 210321335 /nfs/dbraw/zinc/32/13/35/210321335.db2.gz CRUVUPPRHYCQPD-QFIPXVFZSA-N 1 1 377.532 3.730 50 0 GHAAMO CCn1cc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)c2ccccc21 ZINC000020201461 210321327 /nfs/dbraw/zinc/32/13/27/210321327.db2.gz CRUVUPPRHYCQPD-QFIPXVFZSA-N 1 1 377.532 3.730 50 0 GHAAMO OCC[C@@H]1CN(Cc2c[nH]nc2C2CCCCC2)CC[N@@H+]1Cc1cccs1 ZINC000020119684 210318831 /nfs/dbraw/zinc/31/88/31/210318831.db2.gz AJNZSZVCRZAWSI-LJQANCHMSA-N 1 1 388.581 3.588 50 0 GHAAMO OCC[C@@H]1CN(Cc2c[nH]nc2C2CCCCC2)CC[N@H+]1Cc1cccs1 ZINC000020119684 210318834 /nfs/dbraw/zinc/31/88/34/210318834.db2.gz AJNZSZVCRZAWSI-LJQANCHMSA-N 1 1 388.581 3.588 50 0 GHAAMO Cc1cccc(-c2cc(C(=O)NCCC[NH+]3CCOCC3)c3ccccc3n2)c1 ZINC000019850965 210301870 /nfs/dbraw/zinc/30/18/70/210301870.db2.gz HYRSNYCOORNONV-UHFFFAOYSA-N 1 1 389.499 3.662 50 0 GHAAMO Cc1ccc2c(=O)c(C[NH+]3CCN(Cc4ccccc4)CC3)c(C)[nH]c2c1C ZINC000019792157 210297708 /nfs/dbraw/zinc/29/77/08/210297708.db2.gz RBHXBOGTNFXVCY-UHFFFAOYSA-N 1 1 375.516 3.771 50 0 GHAAMO Cc1ccc2c(=O)c(CN3CC[NH+](Cc4ccccc4)CC3)c(C)[nH]c2c1C ZINC000019792157 210297710 /nfs/dbraw/zinc/29/77/10/210297710.db2.gz RBHXBOGTNFXVCY-UHFFFAOYSA-N 1 1 375.516 3.771 50 0 GHAAMO CC(C)(C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019809690 210297185 /nfs/dbraw/zinc/29/71/85/210297185.db2.gz ULOUNIZDVMGORF-SFHVURJKSA-N 1 1 386.511 3.685 50 0 GHAAMO Cc1c2cc(Cl)ccc2[nH]c1CN1CC[N@@H+](C2CCCC2)[C@@H](CCO)C1 ZINC000019608480 210275279 /nfs/dbraw/zinc/27/52/79/210275279.db2.gz SUGFSIWCWZFOTM-SFHVURJKSA-N 1 1 375.944 3.941 50 0 GHAAMO C[C@H](C(=O)c1c[nH]c2ccccc12)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000058170555 136154890 /nfs/dbraw/zinc/15/48/90/136154890.db2.gz VQKBEXTYNYDFHJ-QGZVFWFLSA-N 1 1 377.488 3.708 50 0 GHAAMO C[C@H](C(=O)c1c[nH]c2ccccc12)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000058170555 136154891 /nfs/dbraw/zinc/15/48/91/136154891.db2.gz VQKBEXTYNYDFHJ-QGZVFWFLSA-N 1 1 377.488 3.708 50 0 GHAAMO C[C@@H](C(=O)c1c[nH]c2ccccc12)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000058170554 136154918 /nfs/dbraw/zinc/15/49/18/136154918.db2.gz VQKBEXTYNYDFHJ-KRWDZBQOSA-N 1 1 377.488 3.708 50 0 GHAAMO C[C@@H](C(=O)c1c[nH]c2ccccc12)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000058170554 136154919 /nfs/dbraw/zinc/15/49/19/136154919.db2.gz VQKBEXTYNYDFHJ-KRWDZBQOSA-N 1 1 377.488 3.708 50 0 GHAAMO Cc1cc(Nc2ccc(NC(=O)C3CCCCC3)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801008 136157953 /nfs/dbraw/zinc/15/79/53/136157953.db2.gz TUCMSJBKRBSHGP-UHFFFAOYSA-N 1 1 395.507 3.884 50 0 GHAAMO c1cc([C@@H]2CCCCO2)oc1C[N@H+]1CCCC12CCN(c1ncccn1)CC2 ZINC000072428639 136170016 /nfs/dbraw/zinc/17/00/16/136170016.db2.gz CSLXYUWHVPMBGP-IBGZPJMESA-N 1 1 382.508 3.946 50 0 GHAAMO Nc1nc(N2CCC[C@@H](C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)cc[nH+]1 ZINC000095501303 136180015 /nfs/dbraw/zinc/18/00/15/136180015.db2.gz MGIYXRWTKWIIGD-QGZVFWFLSA-N 1 1 391.450 3.720 50 0 GHAAMO CCc1c(C)sc2ncnc(N3CC[N@H+](C4CCCCC4)[C@@H](CCO)C3)c12 ZINC000107013751 136191674 /nfs/dbraw/zinc/19/16/74/136191674.db2.gz IDNGVHLQJBFRFA-KRWDZBQOSA-N 1 1 388.581 3.768 50 0 GHAAMO COc1ccc(F)c(C[N@H+]2CC[C@]3(OC)CC[C@H](Oc4ccccn4)C[C@H]23)c1 ZINC000426571592 533903551 /nfs/dbraw/zinc/90/35/51/533903551.db2.gz KMEIESRYNUEYAH-RCZSKKKRSA-N 1 1 386.467 3.820 50 0 GHAAMO COc1cccc([C@H](CNCc2csc(-c3ncccn3)n2)[NH+]2CCCC2)c1 ZINC000048341073 570239033 /nfs/dbraw/zinc/23/90/33/570239033.db2.gz FTCPGSGZMIRMJZ-IBGZPJMESA-N 1 1 395.532 3.535 50 0 GHAAMO CC(C)[N@@H+](C)CCCCNS(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000048374129 570247241 /nfs/dbraw/zinc/24/72/41/570247241.db2.gz BBOPRHPWHNLIRG-UHFFFAOYSA-N 1 1 384.489 3.697 50 0 GHAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccc4cccc(F)c4n3)C[C@H]2CCO)cc1 ZINC000104303320 570256394 /nfs/dbraw/zinc/25/63/94/570256394.db2.gz BTNFPYCRXWXGRT-JOCHJYFZSA-N 1 1 393.506 3.751 50 0 GHAAMO COc1ccc2cc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)ccc2c1 ZINC000049574633 570270163 /nfs/dbraw/zinc/27/01/63/570270163.db2.gz UMRGYZAFFRYDRG-UHFFFAOYSA-N 1 1 382.504 3.613 50 0 GHAAMO Cc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012284519 570281653 /nfs/dbraw/zinc/28/16/53/570281653.db2.gz HYXUIXUQEOTSAG-OALUTQOASA-N 1 1 379.504 3.523 50 0 GHAAMO COc1cccc(C(=O)N2CC[NH+]([C@H](C)Cc3nc4ccccc4s3)CC2)c1 ZINC000175416204 570282557 /nfs/dbraw/zinc/28/25/57/570282557.db2.gz LBQNFKPOOJRBFO-MRXNPFEDSA-N 1 1 395.528 3.694 50 0 GHAAMO CC[C@H](C)NC(=O)c1ccc(C[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000034668500 570293022 /nfs/dbraw/zinc/29/30/22/570293022.db2.gz ZVTLMZBYWPBIJJ-SFHVURJKSA-N 1 1 381.520 3.546 50 0 GHAAMO Cc1noc(C)c1CCC(=O)Nc1nc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000022296616 570312779 /nfs/dbraw/zinc/31/27/79/570312779.db2.gz DMYAAGQAKYELCL-CHWSQXEVSA-N 1 1 376.526 3.797 50 0 GHAAMO Cc1ccc(-c2cnc(CCC(=O)NC[C@@H](c3ccco3)[NH+](C)C)o2)cc1C ZINC000022381605 570315180 /nfs/dbraw/zinc/31/51/80/570315180.db2.gz VDLRVZDVWHUVNF-SFHVURJKSA-N 1 1 381.476 3.903 50 0 GHAAMO C[NH+](C)[C@@H](CNC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccco1 ZINC000022381622 570315303 /nfs/dbraw/zinc/31/53/03/570315303.db2.gz TYNWJDWBHNSHQI-HNNXBMFYSA-N 1 1 389.402 3.565 50 0 GHAAMO COc1cccc(C[NH2+]Cc2cc(OC)c(OC)cc2OC)c1OC(F)F ZINC000022793577 570328252 /nfs/dbraw/zinc/32/82/52/570328252.db2.gz APRFSNYUSAYXIK-UHFFFAOYSA-N 1 1 383.391 3.612 50 0 GHAAMO COc1ccc(CCN(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000004177251 570361139 /nfs/dbraw/zinc/36/11/39/570361139.db2.gz NCIABWFZLZTAJL-OAQYLSRUSA-N 1 1 396.531 3.617 50 0 GHAAMO CN(C)c1ccc(C(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1 ZINC000004347646 570370148 /nfs/dbraw/zinc/37/01/48/570370148.db2.gz JWGJQSBJYMVANJ-UHFFFAOYSA-N 1 1 394.906 3.917 50 0 GHAAMO CC(C)[N@@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccccc1 ZINC000010929359 570372287 /nfs/dbraw/zinc/37/22/87/570372287.db2.gz UGSAQKRUWIPAIV-UHFFFAOYSA-N 1 1 385.533 3.575 50 0 GHAAMO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2csc(-c3ccc(Cl)cc3)n2)N1 ZINC000024172297 570380041 /nfs/dbraw/zinc/38/00/41/570380041.db2.gz LWGPHYNUZFMNDC-OAHLLOKOSA-N 1 1 380.864 3.910 50 0 GHAAMO COc1ccc(Cl)cc1C(=O)NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000035592980 570399296 /nfs/dbraw/zinc/39/92/96/570399296.db2.gz HQANPXVYKQNSAH-HXUWFJFHSA-N 1 1 388.895 3.542 50 0 GHAAMO COc1ccc(Cl)cc1C(=O)NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000035592980 570399301 /nfs/dbraw/zinc/39/93/01/570399301.db2.gz HQANPXVYKQNSAH-HXUWFJFHSA-N 1 1 388.895 3.542 50 0 GHAAMO COc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)c1OC ZINC000006364681 570401786 /nfs/dbraw/zinc/40/17/86/570401786.db2.gz PUSRXARGBCSOPN-GOSISDBHSA-N 1 1 387.505 3.961 50 0 GHAAMO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000222127664 570407264 /nfs/dbraw/zinc/40/72/64/570407264.db2.gz VETOKOSLQXQGBG-OLZOCXBDSA-N 1 1 383.439 3.980 50 0 GHAAMO C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000239284754 570428767 /nfs/dbraw/zinc/42/87/67/570428767.db2.gz BZRACGCDWLJXBO-YPMHNXCESA-N 1 1 389.546 3.561 50 0 GHAAMO C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@H+]1CCC[C@H]1c1cccs1 ZINC000239284754 570428769 /nfs/dbraw/zinc/42/87/69/570428769.db2.gz BZRACGCDWLJXBO-YPMHNXCESA-N 1 1 389.546 3.561 50 0 GHAAMO CCO[C@@H]1CCCN(C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000072289630 570481534 /nfs/dbraw/zinc/48/15/34/570481534.db2.gz OZRFGNWKWBOUPL-RTWAWAEBSA-N 1 1 387.568 3.670 50 0 GHAAMO Cc1cc(N2CCN(c3cccc(C)[nH+]3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000006764289 570492878 /nfs/dbraw/zinc/49/28/78/570492878.db2.gz SHVKUDYGQGGBMY-UHFFFAOYSA-N 1 1 384.487 3.735 50 0 GHAAMO COc1cc(C[N@H+]2CCCCC[C@@H]2c2cccc(C)c2)ccc1OCC(N)=O ZINC000033087206 570519554 /nfs/dbraw/zinc/51/95/54/570519554.db2.gz MRJDHVMSVZASPO-HXUWFJFHSA-N 1 1 382.504 3.985 50 0 GHAAMO CCC(CC)C(=O)N1CCN(c2cc(Nc3ccc(C)cc3)[nH+]c(C)n2)CC1 ZINC000033318301 570525092 /nfs/dbraw/zinc/52/50/92/570525092.db2.gz HCGKMECTQDPHLB-UHFFFAOYSA-N 1 1 381.524 3.922 50 0 GHAAMO COc1ccc(C[N@@H+](CC(C)C)C[C@@H](O)COCc2ccccc2)cc1OC ZINC000036095610 570535100 /nfs/dbraw/zinc/53/51/00/570535100.db2.gz VMEAJYVCSANEFP-OAQYLSRUSA-N 1 1 387.520 3.740 50 0 GHAAMO Cc1[nH+]ccn1CC1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000062017560 570556572 /nfs/dbraw/zinc/55/65/72/570556572.db2.gz NZMPAFSLTCWWLY-UHFFFAOYSA-N 1 1 382.291 3.816 50 0 GHAAMO COc1ccc(C[NH+]2CCN(c3cc(Oc4cccc(C)c4)ncn3)CC2)cc1 ZINC000036038167 570559758 /nfs/dbraw/zinc/55/97/58/570559758.db2.gz HENJYBFDGQRHME-UHFFFAOYSA-N 1 1 390.487 3.908 50 0 GHAAMO C[N@@H+](CCNC(=O)CC1CCN(C(=O)C2CCCCC2)CC1)C1CCCCC1 ZINC000032974400 570562158 /nfs/dbraw/zinc/56/21/58/570562158.db2.gz YWZCMQJVZFZWBM-UHFFFAOYSA-N 1 1 391.600 3.576 50 0 GHAAMO CC(C)Cc1cc(C[NH+]2CCC(n3nccc3NC(=O)C3CCCC3)CC2)[nH]n1 ZINC000011663725 570578048 /nfs/dbraw/zinc/57/80/48/570578048.db2.gz SPVCXOIPBLLLPG-UHFFFAOYSA-N 1 1 398.555 3.771 50 0 GHAAMO CCCn1cc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3OC)C2)c(C)n1 ZINC000011872963 570589532 /nfs/dbraw/zinc/58/95/32/570589532.db2.gz UPGNWDBUUYGKPE-NRFANRHFSA-N 1 1 398.595 3.997 50 0 GHAAMO COCCC1=C[C@](O)(C(F)(F)F)N(c2ncc(C(F)(F)F)cc2Cl)[NH2+]1 ZINC000005447516 570596934 /nfs/dbraw/zinc/59/69/34/570596934.db2.gz ZMGUMCCJIQIXQJ-NSHDSACASA-N 1 1 391.699 3.607 50 0 GHAAMO CCCn1c(C)c(CC(=O)NC[C@H]2CCCC[N@H+]2C)c2c1CC(C)(C)CC2=O ZINC000012023028 570598981 /nfs/dbraw/zinc/59/89/81/570598981.db2.gz ZPTHDUAOVSTJBQ-QGZVFWFLSA-N 1 1 387.568 3.505 50 0 GHAAMO COc1cccc(CCN2C(=O)CC[C@@H]3C[N@H+](C/C=C/c4ccco4)CC[C@@H]32)c1 ZINC000012047738 570600463 /nfs/dbraw/zinc/60/04/63/570600463.db2.gz MUTYOCNFEUAOSG-MXJNXPACSA-N 1 1 394.515 3.857 50 0 GHAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc3c2OCO3)C1)c1cc2ccccc2[nH]1 ZINC000012076163 570605163 /nfs/dbraw/zinc/60/51/63/570605163.db2.gz ILNNXSXUTMZZPK-INIZCTEOSA-N 1 1 391.471 3.539 50 0 GHAAMO Cc1ccc(C)c(-c2n[nH]cc2CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)c1 ZINC000043144624 570625751 /nfs/dbraw/zinc/62/57/51/570625751.db2.gz GHXHCFQKFOVLMN-OAQYLSRUSA-N 1 1 382.552 3.505 50 0 GHAAMO COc1c(C)cc(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(OCCO)c3)C2)cc1C ZINC000012300676 570635791 /nfs/dbraw/zinc/63/57/91/570635791.db2.gz VYSYUUKOWWVMMO-HXUWFJFHSA-N 1 1 397.515 3.778 50 0 GHAAMO Cc1cccc(C[N@H+]2CC[C@]3(C2)CCCN(CCCc2ccccc2)C3=O)n1 ZINC000012305571 570638756 /nfs/dbraw/zinc/63/87/56/570638756.db2.gz QTLQXFPNNVAQNG-DEOSSOPVSA-N 1 1 377.532 3.837 50 0 GHAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)Cc1cccnc1 ZINC000012305709 570638879 /nfs/dbraw/zinc/63/88/79/570638879.db2.gz FDYKQJXGDAMZHU-NRFANRHFSA-N 1 1 383.511 3.566 50 0 GHAAMO c1cc(C[N@H+]2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)n(-c2cccnc2)c1 ZINC000012308083 570639770 /nfs/dbraw/zinc/63/97/70/570639770.db2.gz BHYWBGCZSSUNLT-GOSISDBHSA-N 1 1 376.460 3.678 50 0 GHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CSc2ccncc2)C1 ZINC000012318642 570642501 /nfs/dbraw/zinc/64/25/01/570642501.db2.gz LMVAOXGUNGBLIF-FQEVSTJZSA-N 1 1 397.588 3.895 50 0 GHAAMO CCc1nc(C)c(CN(C)C[C@H]2CCC[N@@H+](CCc3ccc(OC)cc3)C2)[nH]1 ZINC000012445841 570665997 /nfs/dbraw/zinc/66/59/97/570665997.db2.gz LKLCHMFYPKSUSD-HXUWFJFHSA-N 1 1 384.568 3.676 50 0 GHAAMO Cc1[nH+]ccn1CC[C@@H](NC(=O)CC(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000055054606 570680711 /nfs/dbraw/zinc/68/07/11/570680711.db2.gz ALCCXTBCNJRCMQ-OAQYLSRUSA-N 1 1 390.487 3.776 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c1OCCn1ccnc1 ZINC000055108945 570683582 /nfs/dbraw/zinc/68/35/82/570683582.db2.gz YZDHEXXZNIEIPS-HXUWFJFHSA-N 1 1 378.476 3.703 50 0 GHAAMO COc1ccc2oc(=O)cc(C[N@@H+]3CCN(c4cccc(C)c4)[C@@H](C)C3)c2c1 ZINC000055562715 570697378 /nfs/dbraw/zinc/69/73/78/570697378.db2.gz LGOBPEXYLJECQF-KRWDZBQOSA-N 1 1 378.472 3.821 50 0 GHAAMO COc1ccc2oc(=O)cc(C[N@H+]3CCN(c4cccc(C)c4)[C@@H](C)C3)c2c1 ZINC000055562715 570697382 /nfs/dbraw/zinc/69/73/82/570697382.db2.gz LGOBPEXYLJECQF-KRWDZBQOSA-N 1 1 378.472 3.821 50 0 GHAAMO CCCn1cc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccc(OC)cc3)C2)c(C)n1 ZINC000012711467 570702686 /nfs/dbraw/zinc/70/26/86/570702686.db2.gz MOMBZFWDVWGXRU-JOCHJYFZSA-N 1 1 398.595 3.997 50 0 GHAAMO CCc1noc(C)c1C(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000012712910 570703393 /nfs/dbraw/zinc/70/33/93/570703393.db2.gz NMJQQGXGXFTKGI-SFHVURJKSA-N 1 1 387.499 3.711 50 0 GHAAMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)c2)CCO1 ZINC000058149349 570710773 /nfs/dbraw/zinc/71/07/73/570710773.db2.gz CNMIGWHUPRNWAC-PNKSNWOJSA-N 1 1 382.548 3.740 50 0 GHAAMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)c2)CCO1 ZINC000058149349 570710776 /nfs/dbraw/zinc/71/07/76/570710776.db2.gz CNMIGWHUPRNWAC-PNKSNWOJSA-N 1 1 382.548 3.740 50 0 GHAAMO COc1ccc([C@H]([NH2+]CC(=O)NC(=O)NC2CCCCC2)c2ccccc2)cc1 ZINC000058169432 570714889 /nfs/dbraw/zinc/71/48/89/570714889.db2.gz CVQYWXGLZYQXHN-JOCHJYFZSA-N 1 1 395.503 3.533 50 0 GHAAMO Cc1oc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nc1COc1ccccc1 ZINC000006941013 570715058 /nfs/dbraw/zinc/71/50/58/570715058.db2.gz NLMPMXSTTUEYCB-UHFFFAOYSA-N 1 1 391.471 3.617 50 0 GHAAMO O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058406652 570731547 /nfs/dbraw/zinc/73/15/47/570731547.db2.gz DKYRKMDFFXPMNF-SFTDATJTSA-N 1 1 395.522 3.680 50 0 GHAAMO Cc1[nH+]ccn1C[C@@H]1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1 ZINC000065427558 570767974 /nfs/dbraw/zinc/76/79/74/570767974.db2.gz LOZCXROJFIJKEU-SFHVURJKSA-N 1 1 380.517 3.791 50 0 GHAAMO Cc1ccc(-c2nccn3cc(C(=O)NCC[N@H+](C)C4CCCCC4)nc23)cc1 ZINC000065274566 570776798 /nfs/dbraw/zinc/77/67/98/570776798.db2.gz UQSJQMRFCHYJOQ-UHFFFAOYSA-N 1 1 391.519 3.699 50 0 GHAAMO C[NH+]1CCN(C(=S)c2cn(CCOc3ccccc3)c3ccccc23)CC1 ZINC000005879267 570800703 /nfs/dbraw/zinc/80/07/03/570800703.db2.gz LPMSGNYCKHZKDM-UHFFFAOYSA-N 1 1 379.529 3.643 50 0 GHAAMO CC(C)[C@@H](NC1CC[NH+](CCC(F)(F)F)CC1)c1nc(-c2cccnc2)no1 ZINC000170072053 570801407 /nfs/dbraw/zinc/80/14/07/570801407.db2.gz UETQXPBRNFRSPB-MRXNPFEDSA-N 1 1 397.445 3.835 50 0 GHAAMO C[C@@H](Oc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cn1)c1ccccc1 ZINC000065477295 570823443 /nfs/dbraw/zinc/82/34/43/570823443.db2.gz CPUOMOYCKFUXKJ-APWZRJJASA-N 1 1 379.460 3.847 50 0 GHAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2n[nH]c3ccccc23)C1 ZINC000065503656 570827546 /nfs/dbraw/zinc/82/75/46/570827546.db2.gz IUOSUXBSMXDWPO-KRWDZBQOSA-N 1 1 376.504 3.654 50 0 GHAAMO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2[nH]nc3ccccc32)C1 ZINC000065503656 570827550 /nfs/dbraw/zinc/82/75/50/570827550.db2.gz IUOSUXBSMXDWPO-KRWDZBQOSA-N 1 1 376.504 3.654 50 0 GHAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2[nH]nc3ccccc32)C1 ZINC000065503656 570827554 /nfs/dbraw/zinc/82/75/54/570827554.db2.gz IUOSUXBSMXDWPO-KRWDZBQOSA-N 1 1 376.504 3.654 50 0 GHAAMO CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000007386389 570836067 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3.798 50 0 GHAAMO Cc1cc(=O)n2nc(C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)sc2n1 ZINC000024945864 570399525 /nfs/dbraw/zinc/39/95/25/570399525.db2.gz GTDZKBGNXGFMBZ-LJQANCHMSA-N 1 1 394.525 3.669 50 0 GHAAMO Cc1cc(=O)n2nc(C[N@H+]3CCc4sccc4[C@H]3c3ccccc3)sc2n1 ZINC000024945864 570399527 /nfs/dbraw/zinc/39/95/27/570399527.db2.gz GTDZKBGNXGFMBZ-LJQANCHMSA-N 1 1 394.525 3.669 50 0 GHAAMO Cc1ccccc1[C@H](OC[C@H](O)C[N@H+]1CCCC[C@H]1CCO)c1ccccc1 ZINC000239425750 570429991 /nfs/dbraw/zinc/42/99/91/570429991.db2.gz VESGNTBUUJOFAR-WMTXJRDZSA-N 1 1 383.532 3.699 50 0 GHAAMO CCOC(=O)c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000241132928 570431172 /nfs/dbraw/zinc/43/11/72/570431172.db2.gz JNFKLXDJUCSAMU-CTNGQTDRSA-N 1 1 387.451 3.579 50 0 GHAAMO Cc1cccnc1C(=O)N1CCC([C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000011878969 570442867 /nfs/dbraw/zinc/44/28/67/570442867.db2.gz RHUFJTLOYGHNAF-JOCHJYFZSA-N 1 1 377.532 3.807 50 0 GHAAMO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCC1)c1cc(=O)c2ccccc2o1 ZINC000028288889 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HQQAUIVNIVCHBX-HSZRJFAPSA-N 1 1 387.483 3.790 50 0 GHAAMO C[N@H+]1CCN(C(=O)c2ccc(OCc3ccncc3)cc2)[C@@H](c2ccccc2)C1 ZINC000040069892 856648047 /nfs/dbraw/zinc/64/80/47/856648047.db2.gz HQQAUIVNIVCHBX-HSZRJFAPSA-N 1 1 387.483 3.790 50 0 GHAAMO C[N@@H+](CC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCc2ccccc21 ZINC000009646023 857275317 /nfs/dbraw/zinc/27/53/17/857275317.db2.gz NVSFRBCYJBZLAC-OAQYLSRUSA-N 1 1 377.488 3.761 50 0 GHAAMO CC[NH+]1CCN(c2c(C(=O)c3ccc(OC)cc3)cnc3ccccc32)CC1 ZINC000004313798 862955852 /nfs/dbraw/zinc/95/58/52/862955852.db2.gz HHGTZGAURBKQTF-UHFFFAOYSA-N 1 1 375.472 3.616 50 0 GHAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)c3ccccc3SC)C2)CC1 ZINC000011933360 858215450 /nfs/dbraw/zinc/21/54/50/858215450.db2.gz XQZLNMWRHZKXBA-MRXNPFEDSA-N 1 1 390.549 3.924 50 0 GHAAMO COc1ccc([C@@H]2C[C@H]3CN(Cc4ccc(C)o4)C(=O)[C@]34CCC[N@H+]24)c(F)c1 ZINC000012002326 858483300 /nfs/dbraw/zinc/48/33/00/858483300.db2.gz QMUMCSANQVZCIZ-LVWPNOBMSA-N 1 1 384.451 3.674 50 0 GHAAMO COc1ccc([C@@H]2C[C@H]3CN(Cc4ccc(C)o4)C(=O)[C@]34CCC[N@@H+]24)c(F)c1 ZINC000012002326 858483304 /nfs/dbraw/zinc/48/33/04/858483304.db2.gz QMUMCSANQVZCIZ-LVWPNOBMSA-N 1 1 384.451 3.674 50 0 GHAAMO CC(=O)NCC[C@H]1CCCC[N@H+]1Cc1nc(-c2cc(F)ccc2F)oc1C ZINC000012031551 858585685 /nfs/dbraw/zinc/58/56/85/858585685.db2.gz RHORKWTZPLSSLH-MRXNPFEDSA-N 1 1 377.435 3.809 50 0 GHAAMO Cc1n[nH]cc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000012194662 859278146 /nfs/dbraw/zinc/27/81/46/859278146.db2.gz HTNDJHQKJBPUHY-QHCPKHFHSA-N 1 1 380.536 3.970 50 0 GHAAMO CCc1noc(C)c1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000039388271 859538145 /nfs/dbraw/zinc/53/81/45/859538145.db2.gz UWHWOJVKXJDYON-HSZRJFAPSA-N 1 1 381.520 3.716 50 0 GHAAMO CCn1nc(C)cc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCc1ccccc1)C2 ZINC000012744676 859548114 /nfs/dbraw/zinc/54/81/14/859548114.db2.gz NOKHMNVFMUVTRQ-DEOSSOPVSA-N 1 1 394.563 3.772 50 0 GHAAMO COc1ccc(C[NH+]2CCN(c3ncnc4cc(Cl)ccc43)CC2)cc1OC ZINC000012849231 859624239 /nfs/dbraw/zinc/62/42/39/859624239.db2.gz JRQNCHMYMZDPAH-UHFFFAOYSA-N 1 1 398.894 3.623 50 0 GHAAMO Cc1nc([C@@H]2CCC[N@@H+](C)C2)cc(N(C)Cc2cc(-c3ccccc3)on2)n1 ZINC000063856352 859662977 /nfs/dbraw/zinc/66/29/77/859662977.db2.gz WXXGYHZBOHUKFV-GOSISDBHSA-N 1 1 377.492 3.886 50 0 GHAAMO CC(C)C(=O)N1CCC2(CC1)C[C@H]([N@@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776695 859773372 /nfs/dbraw/zinc/77/33/72/859773372.db2.gz DETJEQPDYUGISN-OAQYLSRUSA-N 1 1 388.527 3.986 50 0 GHAAMO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2Cc3ccccc3C2)cc1 ZINC000012300981 859789334 /nfs/dbraw/zinc/78/93/34/859789334.db2.gz DTCWEPJDXRYCEL-QHCPKHFHSA-N 1 1 386.499 3.751 50 0 GHAAMO CN(C)C(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](C[N@@H+]1Cc1ccccc1)[C@@H]23 ZINC000257187393 859839540 /nfs/dbraw/zinc/83/95/40/859839540.db2.gz LRPVJDGEUZXYOR-NXYDZRKXSA-N 1 1 383.580 3.620 50 0 GHAAMO CN(C)C(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](C[N@H+]1Cc1ccccc1)[C@@H]23 ZINC000257187393 859839554 /nfs/dbraw/zinc/83/95/54/859839554.db2.gz LRPVJDGEUZXYOR-NXYDZRKXSA-N 1 1 383.580 3.620 50 0 GHAAMO CO[C@@H](C(=O)N1CCC[C@@H]2C[N@@H+](CCc3ccccc3)CC[C@@H]21)c1ccccc1 ZINC000012331301 860044637 /nfs/dbraw/zinc/04/46/37/860044637.db2.gz KJEPQYPZAFGBRR-TZRRMPRUSA-N 1 1 392.543 3.930 50 0 GHAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000007918080 860393609 /nfs/dbraw/zinc/39/36/09/860393609.db2.gz JSVHGIHOQDNXIJ-MRXNPFEDSA-N 1 1 387.911 3.532 50 0 GHAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000007918080 860393616 /nfs/dbraw/zinc/39/36/16/860393616.db2.gz JSVHGIHOQDNXIJ-MRXNPFEDSA-N 1 1 387.911 3.532 50 0 GHAAMO COc1ccc(CCC(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1 ZINC000020410647 860567266 /nfs/dbraw/zinc/56/72/66/860567266.db2.gz DCDZLCQANKRIKJ-LJQANCHMSA-N 1 1 397.471 3.554 50 0 biogenic GHAAMO COc1ccc(CCC(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1 ZINC000020410647 860567273 /nfs/dbraw/zinc/56/72/73/860567273.db2.gz DCDZLCQANKRIKJ-LJQANCHMSA-N 1 1 397.471 3.554 50 0 biogenic GHAAMO O[C@@H](c1ccc(Br)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020792214 860645157 /nfs/dbraw/zinc/64/51/57/860645157.db2.gz RLTKQSKRESYILF-OALUTQOASA-N 1 1 376.294 3.599 50 0 GHAAMO O=C(c1ccc2n[nH]nc2c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021866776 860957887 /nfs/dbraw/zinc/95/78/87/860957887.db2.gz OKDUUIMQXJZJAE-UHFFFAOYSA-N 1 1 397.482 3.505 50 0 GHAAMO Cc1cc(NC(=O)Cc2cccc3ccccc32)ccc1NC(=O)C[NH+](C)C ZINC000823676135 863156215 /nfs/dbraw/zinc/15/62/15/863156215.db2.gz IPLRDIVYSIQGHG-UHFFFAOYSA-N 1 1 375.472 3.830 50 0 GHAAMO Cc1ccc(CSc2ccccc2NC(=O)CN2CCC[N@H+](C)CC2)cc1 ZINC000823778364 863181483 /nfs/dbraw/zinc/18/14/83/863181483.db2.gz MUWUVCHHOIBODA-UHFFFAOYSA-N 1 1 383.561 3.863 50 0 GHAAMO COCC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000824313317 863992742 /nfs/dbraw/zinc/99/27/42/863992742.db2.gz IWFZSZZOVAFBMH-NRFANRHFSA-N 1 1 395.503 3.573 50 0 GHAAMO COc1ccc(OC)c(CNC(=O)[C@H](c2ccc(F)cc2)[NH+]2CCCCC2)c1 ZINC000824716785 864116322 /nfs/dbraw/zinc/11/63/22/864116322.db2.gz HZJUPKOFNOOATN-NRFANRHFSA-N 1 1 386.467 3.686 50 0 GHAAMO O=C([C@@H]1CCC[N@H+]1Cc1cccc2c3ccccc3sc21)N1CCOCC1 ZINC000828108603 865198908 /nfs/dbraw/zinc/19/89/08/865198908.db2.gz OXZMWSQNVNQBNT-IBGZPJMESA-N 1 1 380.513 3.878 50 0 GHAAMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)C1 ZINC000174530040 865871282 /nfs/dbraw/zinc/87/12/82/865871282.db2.gz QJUWAHRRZMISQM-MRXNPFEDSA-N 1 1 397.567 3.786 50 0 GHAAMO CCc1ccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 ZINC000007790626 882192320 /nfs/dbraw/zinc/19/23/20/882192320.db2.gz QGKPDYIMIRBSES-UHFFFAOYSA-N 1 1 383.883 3.554 50 0 GHAAMO CCc1ccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 ZINC000007790626 882192323 /nfs/dbraw/zinc/19/23/23/882192323.db2.gz QGKPDYIMIRBSES-UHFFFAOYSA-N 1 1 383.883 3.554 50 0 GHAAMO COc1cccc(CC(=O)N2CCC[C@H](Cc3[nH+]cc(C)n3CC3CC3)C2)c1 ZINC000581816349 870045888 /nfs/dbraw/zinc/04/58/88/870045888.db2.gz UWDCKYPDYHLNNG-HXUWFJFHSA-N 1 1 381.520 3.634 50 0 GHAAMO c1ccc(COCCc2noc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)cc1 ZINC000581821079 870053286 /nfs/dbraw/zinc/05/32/86/870053286.db2.gz ACMYVNVYYQMIGP-LJQANCHMSA-N 1 1 378.476 3.604 50 0 GHAAMO COc1ccc2nc(C(F)(F)F)nc(N(C)C[C@H]3CCn4cc[nH+]c4C3)c2c1 ZINC000585083378 897076185 /nfs/dbraw/zinc/07/61/85/897076185.db2.gz ZFJIRRNQMBZBGF-LBPRGKRZSA-N 1 1 391.397 3.553 50 0 GHAAMO C[N@@H+](Cc1ccc(OCC(=O)NC(C)(C)C)cc1)[C@H](c1ccccn1)C1CC1 ZINC000952966190 904644247 /nfs/dbraw/zinc/64/42/47/904644247.db2.gz DQVHAGIBDFGNGX-QFIPXVFZSA-N 1 1 381.520 3.958 50 0 GHAAMO COc1cccc([C@H]2CC[N@H+](C3CCN(C(=O)c4ccccc4)CC3)C2)c1OC ZINC000952980668 904661097 /nfs/dbraw/zinc/66/10/97/904661097.db2.gz HQYDQEMFFZMBAJ-IBGZPJMESA-N 1 1 394.515 3.798 50 0 GHAAMO COc1ccc([C@@]2(C(=O)Nc3ccccc3NC(=O)C[NH+](C)C)CC2(C)C)cc1 ZINC000952990367 904676166 /nfs/dbraw/zinc/67/61/66/904676166.db2.gz VTSXPKSWHZYXBA-HSZRJFAPSA-N 1 1 395.503 3.502 50 0 GHAAMO COc1ccc(C[NH2+]Cc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000055545147 924046064 /nfs/dbraw/zinc/04/60/64/924046064.db2.gz FICKWZIQZQSJBH-UHFFFAOYSA-N 1 1 389.430 3.823 50 0 GHAAMO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3cccc(-c4ccco4)c3)C2)CC1 ZINC000019221712 210231482 /nfs/dbraw/zinc/23/14/82/210231482.db2.gz ADTOIIDZTCFFED-NRFANRHFSA-N 1 1 397.519 3.685 50 0 GHAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3cccc(-c4ccco4)c3)C2)CC1 ZINC000019221708 210230700 /nfs/dbraw/zinc/23/07/00/210230700.db2.gz ADTOIIDZTCFFED-OAQYLSRUSA-N 1 1 397.519 3.685 50 0 GHAAMO C[N@H+](Cc1cc(=O)oc2cc3c(cc12)CCC3)C[C@H]1COc2ccccc2O1 ZINC000016628398 210192316 /nfs/dbraw/zinc/19/23/16/210192316.db2.gz SRZSMLPTBZGQAJ-SFHVURJKSA-N 1 1 377.440 3.554 50 0 GHAAMO CCc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2N2CCOCC2)cc1 ZINC000016424484 210189706 /nfs/dbraw/zinc/18/97/06/210189706.db2.gz FETGTMKHFCGSTQ-SFHVURJKSA-N 1 1 381.520 3.545 50 0 GHAAMO CCc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2N2CCOCC2)cc1 ZINC000016424484 210189708 /nfs/dbraw/zinc/18/97/08/210189708.db2.gz FETGTMKHFCGSTQ-SFHVURJKSA-N 1 1 381.520 3.545 50 0 GHAAMO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)[NH+]2CCCC2)o1 ZINC000015860482 210175199 /nfs/dbraw/zinc/17/51/99/210175199.db2.gz VUIWPXWWGGRULD-SFHVURJKSA-N 1 1 394.471 3.878 50 0 GHAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccccc3o2)[NH+]2CCC(C)CC2)o1 ZINC000015860512 210173962 /nfs/dbraw/zinc/17/39/62/210173962.db2.gz UTROGADUOXTMBP-GOSISDBHSA-N 1 1 394.471 3.897 50 0 GHAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000015069725 210147222 /nfs/dbraw/zinc/14/72/22/210147222.db2.gz FACOQRLCURSROT-SFHVURJKSA-N 1 1 378.451 3.862 50 0 GHAAMO CSc1ccc(C[N@H+]2CCC[C@H](n3cc(C(=O)NC4CCCC4)nn3)C2)cc1 ZINC000014984094 210141054 /nfs/dbraw/zinc/14/10/54/210141054.db2.gz QRGXLLOTNNGGNE-SFHVURJKSA-N 1 1 399.564 3.510 50 0 GHAAMO COc1ccc(CC(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3F)C2)cc1 ZINC000014968451 210135482 /nfs/dbraw/zinc/13/54/82/210135482.db2.gz WGJKPGKNMAFCMX-FQEVSTJZSA-N 1 1 398.522 3.790 50 0 GHAAMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(OC(F)F)cc2)cc1OC ZINC000014929130 210130526 /nfs/dbraw/zinc/13/05/26/210130526.db2.gz LTQXXSDETLYXGJ-CYBMUJFWSA-N 1 1 394.418 3.764 50 0 GHAAMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(OC(F)F)cc2)cc1OC ZINC000014929130 210130530 /nfs/dbraw/zinc/13/05/30/210130530.db2.gz LTQXXSDETLYXGJ-CYBMUJFWSA-N 1 1 394.418 3.764 50 0 GHAAMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)CCOc1ccc(C)cc1 ZINC000014165360 210106142 /nfs/dbraw/zinc/10/61/42/210106142.db2.gz KQGDNRGPCNOIMT-HNNXBMFYSA-N 1 1 376.884 3.995 50 0 GHAAMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)CCOc1ccc(C)cc1 ZINC000014165360 210106144 /nfs/dbraw/zinc/10/61/44/210106144.db2.gz KQGDNRGPCNOIMT-HNNXBMFYSA-N 1 1 376.884 3.995 50 0 GHAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccc(C)o3)C2)cc1 ZINC000013596548 210071029 /nfs/dbraw/zinc/07/10/29/210071029.db2.gz QETHVGRWSOVJCW-GOSISDBHSA-N 1 1 398.503 3.683 50 0 GHAAMO COc1cc(OC)cc(C(=O)Nc2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cs2)c1 ZINC000012978400 210037409 /nfs/dbraw/zinc/03/74/09/210037409.db2.gz NFIQRWJSGIUKEJ-OKILXGFUSA-N 1 1 389.521 3.891 50 0 GHAAMO COc1cc(OC)cc(C(=O)Nc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cs2)c1 ZINC000012978400 210037413 /nfs/dbraw/zinc/03/74/13/210037413.db2.gz NFIQRWJSGIUKEJ-OKILXGFUSA-N 1 1 389.521 3.891 50 0 GHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](NC(=O)C1CCC(C)CC1)C(C)C ZINC000012867315 210020591 /nfs/dbraw/zinc/02/05/91/210020591.db2.gz OIXIWDZSEKCHAH-JSRAGOMMSA-N 1 1 393.616 3.724 50 0 GHAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)COc3cccc(F)c3)n2)C1 ZINC000012780720 210007759 /nfs/dbraw/zinc/00/77/59/210007759.db2.gz XIIWZYZDMHRBJK-ZIAGYGMSSA-N 1 1 377.485 3.778 50 0 GHAAMO CCC(CC)[C@H](CNC(=O)c1cc(F)c(Cl)cc1Cl)[NH+]1CCOCC1 ZINC000012773009 210006421 /nfs/dbraw/zinc/00/64/21/210006421.db2.gz NACMSGTXVADOOT-KRWDZBQOSA-N 1 1 391.314 3.999 50 0 GHAAMO OCC[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000002828437 209389927 /nfs/dbraw/zinc/38/99/27/209389927.db2.gz GKQJBAPRLPTZMV-QHCPKHFHSA-N 1 1 377.484 3.588 50 0 GHAAMO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000002276567 209354066 /nfs/dbraw/zinc/35/40/66/209354066.db2.gz WZYKLEKXLOWMHR-NEPJUHHUSA-N 1 1 377.872 3.667 50 0 GHAAMO COc1ccc([C@H]2CCC[N@H+]2[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000010220087 209322511 /nfs/dbraw/zinc/32/25/11/209322511.db2.gz BGAXKRSESCBXSC-WOJBJXKFSA-N 1 1 398.890 3.813 50 0 GHAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000009512958 209276630 /nfs/dbraw/zinc/27/66/30/209276630.db2.gz MOYFZUXFGAJZDX-LJQANCHMSA-N 1 1 382.460 3.980 50 0 GHAAMO COCCN(Cc1cccnc1)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000095993191 209240409 /nfs/dbraw/zinc/24/04/09/209240409.db2.gz VTEPFXZYJZLGEI-HXUWFJFHSA-N 1 1 396.535 3.563 50 0 GHAAMO C[C@@H]1C[NH+](CCOc2ccc(-c3n[nH]cc3-c3ccccc3)c(O)c2)C[C@@H](C)O1 ZINC000020590813 209235706 /nfs/dbraw/zinc/23/57/06/209235706.db2.gz CTPRCYPDKCSGRM-IAGOWNOFSA-N 1 1 393.487 3.937 50 0 GHAAMO COc1cc2cc(C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)[nH]c2cc1OC ZINC000253406243 209219008 /nfs/dbraw/zinc/21/90/08/209219008.db2.gz IUFBXXQRAKNHKJ-HNAYVOBHSA-N 1 1 385.508 3.522 50 0 biogenic GHAAMO Cc1cc(C)n(-c2ccc(CCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)cc2)n1 ZINC000225418054 209187334 /nfs/dbraw/zinc/18/73/34/209187334.db2.gz GYSXTLVLSXTOSI-FYYLOGMGSA-N 1 1 394.563 3.802 50 0 biogenic GHAAMO COCCn1cc(CCC(=O)NC[C@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000096343594 212074473 /nfs/dbraw/zinc/07/44/73/212074473.db2.gz WICSSRSKKWFWKR-DENIHFKCSA-N 1 1 397.563 3.601 50 0 GHAAMO C[N@@H+]1CCN(C(=O)/C=C\c2cc3c(c(Cl)c2)OCO3)[C@H](c2ccccc2)C1 ZINC000096925977 211353060 /nfs/dbraw/zinc/35/30/60/211353060.db2.gz KVUJJOUAQWWGRD-ZEVQVBBLSA-N 1 1 384.863 3.597 50 0 GHAAMO C[N@H+]1CCN(C(=O)/C=C\c2cc3c(c(Cl)c2)OCO3)[C@H](c2ccccc2)C1 ZINC000096925977 211353064 /nfs/dbraw/zinc/35/30/64/211353064.db2.gz KVUJJOUAQWWGRD-ZEVQVBBLSA-N 1 1 384.863 3.597 50 0 GHAAMO Cc1[nH+]ccn1CCCNC(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000095530742 211274830 /nfs/dbraw/zinc/27/48/30/211274830.db2.gz XQZPFGMRCKKGQS-FQEVSTJZSA-N 1 1 391.471 3.649 50 0 GHAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1cc[nH]c1C ZINC000095524783 211268928 /nfs/dbraw/zinc/26/89/28/211268928.db2.gz WXIPPOJBLZYUCI-FQEVSTJZSA-N 1 1 383.536 3.749 50 0 GHAAMO Cc1ccn2cc(CN3C[C@H]4CC[C@@H]3C[N@H+](C3Cc5ccccc5C3)C4)nc2c1 ZINC000095511588 211261470 /nfs/dbraw/zinc/26/14/70/211261470.db2.gz VZXANCMRRFUMHW-AUSIDOKSSA-N 1 1 386.543 3.706 50 0 GHAAMO CCN(C(=O)c1ccc(NC(=O)N2CCC[N@@H+](C)CC2)cc1)c1ccccc1 ZINC000095508435 211259724 /nfs/dbraw/zinc/25/97/24/211259724.db2.gz KDKQVUTZCQOVNY-UHFFFAOYSA-N 1 1 380.492 3.523 50 0 GHAAMO Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](C/C=C/c1ccc(F)cc1)C2 ZINC000095504642 211254694 /nfs/dbraw/zinc/25/46/94/211254694.db2.gz CWOYHSRBTIDDTJ-ABQVSZSXSA-N 1 1 383.467 3.567 50 0 GHAAMO CN(Cc1csc(-c2ccccc2)n1)C(=O)[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000095390624 211237899 /nfs/dbraw/zinc/23/78/99/211237899.db2.gz DXBCUPVGJGQZSB-HXUWFJFHSA-N 1 1 377.513 3.825 50 0 GHAAMO CN(Cc1csc(-c2ccccc2)n1)C(=O)[C@H]1Cc2ccccc2C[N@H+]1C ZINC000095390624 211237900 /nfs/dbraw/zinc/23/79/00/211237900.db2.gz DXBCUPVGJGQZSB-HXUWFJFHSA-N 1 1 377.513 3.825 50 0 GHAAMO CC(=O)Nc1cc(C(=O)O[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000095468926 211246212 /nfs/dbraw/zinc/24/62/12/211246212.db2.gz HDJRRJKUABLNOA-DNVCBOLYSA-N 1 1 384.451 3.852 50 0 GHAAMO c1[nH]nc(C2CCCCC2)c1CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000095359556 211224287 /nfs/dbraw/zinc/22/42/87/211224287.db2.gz QMAWZOCFLGCHMA-PGRDOPGGSA-N 1 1 379.552 3.949 50 0 GHAAMO COc1ccc2[nH]c(C[N@H+]3CC[C@H](Cc4cccc(C(N)=O)c4)C3)c(C)c2c1 ZINC000095362101 211223538 /nfs/dbraw/zinc/22/35/38/211223538.db2.gz CXHXLUHRYNWBBG-QGZVFWFLSA-N 1 1 377.488 3.648 50 0 GHAAMO COCCN1CCC[C@@]2(CCN(c3cc(C)c4ccc(C)c(C)c4[nH+]3)C2)C1=O ZINC000095366826 211227021 /nfs/dbraw/zinc/22/70/21/211227021.db2.gz NWLOOWRRSSJKQC-QHCPKHFHSA-N 1 1 381.520 3.625 50 0 GHAAMO CC1=NN(c2ccc(C(=O)OC[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000089919812 211187851 /nfs/dbraw/zinc/18/78/51/211187851.db2.gz TXEVVPQTOBCOIV-FQEVSTJZSA-N 1 1 377.488 3.952 50 0 GHAAMO COc1ccc2c(CNC(C)(C)C[N@H+](C)Cc3ccccc3)cc(=O)oc2c1 ZINC000089761688 211183839 /nfs/dbraw/zinc/18/38/39/211183839.db2.gz GMWBZCOPEXRXBT-UHFFFAOYSA-N 1 1 380.488 3.802 50 0 GHAAMO COc1ccc2c(CNC(C)(C)C[N@@H+](C)Cc3ccccc3)cc(=O)oc2c1 ZINC000089761688 211183842 /nfs/dbraw/zinc/18/38/42/211183842.db2.gz GMWBZCOPEXRXBT-UHFFFAOYSA-N 1 1 380.488 3.802 50 0 GHAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000084656490 211172601 /nfs/dbraw/zinc/17/26/01/211172601.db2.gz XWUVBDRTZDVLKS-PBHICJAKSA-N 1 1 398.450 3.819 50 0 GHAAMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000079051367 211152860 /nfs/dbraw/zinc/15/28/60/211152860.db2.gz SEESZCNKHUYAAO-OFNKIYASSA-N 1 1 392.543 3.729 50 0 GHAAMO Cc1cc(CN2CCC3(CN(CCC[N@@H+](C)CC(C)C)C(=O)O3)CC2)oc1C ZINC000072473730 211122095 /nfs/dbraw/zinc/12/20/95/211122095.db2.gz LGABZNJCBFFYOJ-UHFFFAOYSA-N 1 1 391.556 3.661 50 0 GHAAMO Cc1cc(CN2CCC3(CN(CCC[N@H+](C)CC(C)C)C(=O)O3)CC2)oc1C ZINC000072473730 211122098 /nfs/dbraw/zinc/12/20/98/211122098.db2.gz LGABZNJCBFFYOJ-UHFFFAOYSA-N 1 1 391.556 3.661 50 0 GHAAMO CC(C)C[N@H+](C)CCCN1CC2(CCN(Cc3cccc(F)c3)CC2)OC1=O ZINC000072454787 211121615 /nfs/dbraw/zinc/12/16/15/211121615.db2.gz NEDSGGXKTRQEIR-UHFFFAOYSA-N 1 1 391.531 3.590 50 0 GHAAMO CC(C)C[N@@H+](C)CCCN1CC2(CCN(Cc3cccc(F)c3)CC2)OC1=O ZINC000072454787 211121619 /nfs/dbraw/zinc/12/16/19/211121619.db2.gz NEDSGGXKTRQEIR-UHFFFAOYSA-N 1 1 391.531 3.590 50 0 GHAAMO CC(C)[C@@H]1CN(c2ncccc2C(=O)N2CCCCC2)CCC[N@H+]1CC1CC1 ZINC000071748121 211054158 /nfs/dbraw/zinc/05/41/58/211054158.db2.gz FGCVHOUWYQVKRU-NRFANRHFSA-N 1 1 384.568 3.654 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000069879467 211040336 /nfs/dbraw/zinc/04/03/36/211040336.db2.gz FQHHULXIJYTSBW-HKUYNNGSSA-N 1 1 377.488 3.630 50 0 GHAAMO O=S(=O)(CC[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccc(Br)cc1 ZINC000069873824 211040190 /nfs/dbraw/zinc/04/01/90/211040190.db2.gz LVJFBSWJALYWKC-INIZCTEOSA-N 1 1 394.334 3.712 50 0 GHAAMO O=S(=O)(CC[N@H+]1CC[C@H](c2ccccc2)C1)c1ccc(Br)cc1 ZINC000069873824 211040193 /nfs/dbraw/zinc/04/01/93/211040193.db2.gz LVJFBSWJALYWKC-INIZCTEOSA-N 1 1 394.334 3.712 50 0 GHAAMO Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[N@@H+](CCc1ccccn1)C2 ZINC000067787025 211021666 /nfs/dbraw/zinc/02/16/66/211021666.db2.gz OECSOHCUFJTFDC-UHFFFAOYSA-N 1 1 381.863 3.940 50 0 GHAAMO CC(C)NC(=O)CC[N@H+]1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000067803253 211022652 /nfs/dbraw/zinc/02/26/52/211022652.db2.gz XZOVFBCUPOESPS-UHFFFAOYSA-N 1 1 381.398 3.633 50 0 GHAAMO Cc1nn(C)c(C)c1NC(=O)c1cccc(C[N@@H+](C)[C@@H](C)c2ccccn2)c1 ZINC000067642385 211013712 /nfs/dbraw/zinc/01/37/12/211013712.db2.gz SJRMHRJSLPVMIG-INIZCTEOSA-N 1 1 377.492 3.877 50 0 GHAAMO Cc1nn(C)c(C)c1NC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2ccccn2)c1 ZINC000067642385 211013715 /nfs/dbraw/zinc/01/37/15/211013715.db2.gz SJRMHRJSLPVMIG-INIZCTEOSA-N 1 1 377.492 3.877 50 0 GHAAMO Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2Cl)cc1 ZINC000057452190 210898579 /nfs/dbraw/zinc/89/85/79/210898579.db2.gz KHNJKTJMNOHDCV-HZPDHXFCSA-N 1 1 387.911 3.785 50 0 GHAAMO O=C(Nc1ccc(F)c(F)c1)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955412 210560818 /nfs/dbraw/zinc/56/08/18/210560818.db2.gz YMDAYLDNAFCKSO-UHFFFAOYSA-N 1 1 398.413 3.866 50 0 GHAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccccc4)CC3)nc(C)[nH+]2)cc1 ZINC000021793898 210393738 /nfs/dbraw/zinc/39/37/38/210393738.db2.gz HAUAUEAHBFXTJZ-UHFFFAOYSA-N 1 1 387.487 3.799 50 0 GHAAMO O=C(c1nc2ccccn2c1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1)N1CCCC1 ZINC000020996816 210372735 /nfs/dbraw/zinc/37/27/35/210372735.db2.gz QUXKLBJRXOEQTN-SFHVURJKSA-N 1 1 392.478 3.699 50 0 GHAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3ccccc3Cl)C[C@@H]2CCO)cc1 ZINC000020906687 210369056 /nfs/dbraw/zinc/36/90/56/210369056.db2.gz ZUIKILZQJZUZGN-FQEVSTJZSA-N 1 1 388.939 3.808 50 0 GHAAMO CCOc1ccc(C[N@H+]2CCN(Cc3ccccc3Cl)C[C@@H]2CCO)cc1 ZINC000020906687 210369061 /nfs/dbraw/zinc/36/90/61/210369061.db2.gz ZUIKILZQJZUZGN-FQEVSTJZSA-N 1 1 388.939 3.808 50 0 GHAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3ccc(C)s3)C2)CC1 ZINC000020541016 210345417 /nfs/dbraw/zinc/34/54/17/210345417.db2.gz MNYXUAQIYZWKHS-IBGZPJMESA-N 1 1 385.577 3.852 50 0 GHAAMO OC[C@]1(CCc2ccccc2)CCC[N@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000020205006 210321045 /nfs/dbraw/zinc/32/10/45/210321045.db2.gz FNINYMDQEXBXCZ-VWLOTQADSA-N 1 1 393.575 3.753 50 0 GHAAMO O=C(NCc1ccco1)c1ccc([C@@H]2CCC[N@H+]2Cc2cc[nH]c(=O)c2)s1 ZINC000019884410 210304722 /nfs/dbraw/zinc/30/47/22/210304722.db2.gz VZYLBJWHOCSHGM-INIZCTEOSA-N 1 1 383.473 3.709 50 0 GHAAMO Cc1cc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)ccc1C(C)C ZINC000019809588 210297154 /nfs/dbraw/zinc/29/71/54/210297154.db2.gz CGDOEPOIEZTVKJ-IBGZPJMESA-N 1 1 386.511 3.819 50 0 GHAAMO CC(C)=CC[N@H+]1CCN(Cc2c[nH]nc2-c2cc(C)ccc2C)C[C@@H]1CCO ZINC000019595253 210275943 /nfs/dbraw/zinc/27/59/43/210275943.db2.gz XTHKRJDYUVPHBV-NRFANRHFSA-N 1 1 382.552 3.528 50 0 GHAAMO CC(C)=CCN1CC[N@H+](Cc2c[nH]nc2-c2cc(C)ccc2C)C[C@@H]1CCO ZINC000019595253 210275949 /nfs/dbraw/zinc/27/59/49/210275949.db2.gz XTHKRJDYUVPHBV-NRFANRHFSA-N 1 1 382.552 3.528 50 0 GHAAMO CC(C)=CCN1CC[N@@H+](Cc2c[nH]nc2-c2cc(C)ccc2C)C[C@@H]1CCO ZINC000019595253 210275953 /nfs/dbraw/zinc/27/59/53/210275953.db2.gz XTHKRJDYUVPHBV-NRFANRHFSA-N 1 1 382.552 3.528 50 0 GHAAMO COc1ccccc1CC(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000011841033 221130299 /nfs/dbraw/zinc/13/02/99/221130299.db2.gz ZUMRIFIDJXRWKT-FQEVSTJZSA-N 1 1 398.522 3.790 50 0 GHAAMO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](CC4CCCC4)C3)C2=O)c1OC ZINC000011840375 221130447 /nfs/dbraw/zinc/13/04/47/221130447.db2.gz CXVYEGYEUZGRAK-QHCPKHFHSA-N 1 1 386.536 3.709 50 0 GHAAMO CC[C@H](C(=O)Nc1ccc(F)cc1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000011193566 221112372 /nfs/dbraw/zinc/11/23/72/221112372.db2.gz GRDSWZUINXQTGQ-HXUWFJFHSA-N 1 1 385.483 3.511 50 0 GHAAMO CC[C@H](C(=O)Nc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000011193566 221112374 /nfs/dbraw/zinc/11/23/74/221112374.db2.gz GRDSWZUINXQTGQ-HXUWFJFHSA-N 1 1 385.483 3.511 50 0 GHAAMO CCOc1ccccc1C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc(OC)cc2)C1 ZINC000011933979 221137095 /nfs/dbraw/zinc/13/70/95/221137095.db2.gz TVLKNHPJRKPFNO-FQEVSTJZSA-N 1 1 396.531 3.665 50 0 GHAAMO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3cc(CN4CCCCC4)cs3)[C@H]2C1 ZINC000426661149 533262104 /nfs/dbraw/zinc/26/21/04/533262104.db2.gz ARNIYSCXDAYWFU-SESVDKBCSA-N 1 1 378.582 3.892 50 0 GHAAMO CO[C@H]1CC[C@@]2(OC)CC[N@@H+](Cc3cc(CN4CCCCC4)cs3)[C@H]2C1 ZINC000426661149 533262110 /nfs/dbraw/zinc/26/21/10/533262110.db2.gz ARNIYSCXDAYWFU-SESVDKBCSA-N 1 1 378.582 3.892 50 0 GHAAMO Cc1cccc(N2CC[NH+](CCNC(=O)c3csc4c3CCCC4)CC2)c1C ZINC000058065036 136154406 /nfs/dbraw/zinc/15/44/06/136154406.db2.gz AMMGEWZPXOGIRG-UHFFFAOYSA-N 1 1 397.588 3.796 50 0 GHAAMO O=C(C1=CC[N@@H+](Cc2ccccc2)CC1)N1CCN(c2ccccc2Cl)CC1 ZINC000064817944 136157906 /nfs/dbraw/zinc/15/79/06/136157906.db2.gz NVMWYUZBKKMWNW-UHFFFAOYSA-N 1 1 395.934 3.821 50 0 GHAAMO Cc1nc[nH]c1C[N@H+]1CCCC12CCN(c1ccc(C(F)(F)F)cn1)CC2 ZINC000072453638 136170807 /nfs/dbraw/zinc/17/08/07/136170807.db2.gz KAPOPPJMUDIBKO-UHFFFAOYSA-N 1 1 379.430 3.767 50 0 GHAAMO COCCn1cc[nH+]c1[C@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000095523208 136181170 /nfs/dbraw/zinc/18/11/70/136181170.db2.gz DTBODQJDXSUDCF-KRWDZBQOSA-N 1 1 381.455 3.510 50 0 GHAAMO CCc1ccccc1N1C(=O)C[C@H](Nc2ccc([NH+]3CCCCC3)cc2)C1=O ZINC000101391155 136189753 /nfs/dbraw/zinc/18/97/53/136189753.db2.gz NFKFYOVWZRQPED-FQEVSTJZSA-N 1 1 377.488 3.983 50 0 GHAAMO Cc1ccn(-c2ccccc2NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)n1 ZINC000151209984 136193412 /nfs/dbraw/zinc/19/34/12/136193412.db2.gz VPBXCFGQCWONBZ-UHFFFAOYSA-N 1 1 390.491 3.675 50 0 GHAAMO Cc1ccc(-c2cccc(C(=O)N3CCC(Oc4cccnc4)CC3)c2)c(N)[nH+]1 ZINC000426389217 534186885 /nfs/dbraw/zinc/18/68/85/534186885.db2.gz FVPMRLCINZLOFS-UHFFFAOYSA-N 1 1 388.471 3.718 50 0 GHAAMO COc1cc2[nH+]c(N3CC=C(c4ccc(C)cc4)CC3)nc(N)c2cc1OC ZINC000000638599 570212974 /nfs/dbraw/zinc/21/29/74/570212974.db2.gz SKDSEBBJYPKNAS-UHFFFAOYSA-N 1 1 376.460 3.831 50 0 GHAAMO O=C(NCc1ncc[nH]1)c1ccc([C@@H]2CCC[N@H+]2CCc2ccccc2)s1 ZINC000020149309 570244068 /nfs/dbraw/zinc/24/40/68/570244068.db2.gz KOFPTQWDZWTHIR-KRWDZBQOSA-N 1 1 380.517 3.781 50 0 GHAAMO O=C(C[N@H+]1CCC[C@H]1c1cccc(F)c1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000247803944 570245714 /nfs/dbraw/zinc/24/57/14/570245714.db2.gz XPEIDVALRBKKRD-GCJKJVERSA-N 1 1 381.495 3.605 50 0 GHAAMO O=C(C[N@@H+]1CCC[C@H]1c1cccc(F)c1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000247803944 570245718 /nfs/dbraw/zinc/24/57/18/570245718.db2.gz XPEIDVALRBKKRD-GCJKJVERSA-N 1 1 381.495 3.605 50 0 GHAAMO COc1cc2c(cc1OC)[C@@H](Cc1cc(OC)c(OC)c(OC)c1)[N@@H+](C)CC2 ZINC000022062310 570303993 /nfs/dbraw/zinc/30/39/93/570303993.db2.gz ALQIPWOCCJXSKZ-QGZVFWFLSA-N 1 1 387.476 3.501 50 0 in-vitro GHAAMO C[NH+](C)[C@@H](CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccco1 ZINC000022381615 570315207 /nfs/dbraw/zinc/31/52/07/570315207.db2.gz ZZCICAPPZLTLDN-INIZCTEOSA-N 1 1 389.402 3.565 50 0 GHAAMO CCNC(=O)N[C@@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1 ZINC000034855573 570341638 /nfs/dbraw/zinc/34/16/38/570341638.db2.gz KYHMMXHZESODQC-AOMKIAJQSA-N 1 1 397.519 3.511 50 0 GHAAMO CCNC(=O)N[C@@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1 ZINC000034855573 570341640 /nfs/dbraw/zinc/34/16/40/570341640.db2.gz KYHMMXHZESODQC-AOMKIAJQSA-N 1 1 397.519 3.511 50 0 GHAAMO COc1ccc(-c2csc(NC(=O)C[N@H+]3C[C@H](C)C[C@H](C)C3)n2)c(OC)c1 ZINC000023054861 570342086 /nfs/dbraw/zinc/34/20/86/570342086.db2.gz ZUAVLIJIFIXPQA-OKILXGFUSA-N 1 1 389.521 3.744 50 0 GHAAMO COc1ccc(-c2csc(NC(=O)C[N@@H+]3C[C@H](C)C[C@H](C)C3)n2)c(OC)c1 ZINC000023054861 570342087 /nfs/dbraw/zinc/34/20/87/570342087.db2.gz ZUAVLIJIFIXPQA-OKILXGFUSA-N 1 1 389.521 3.744 50 0 GHAAMO Cc1ccc(NC(=O)[C@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c2ccccc2)cc1 ZINC000035378065 570346392 /nfs/dbraw/zinc/34/63/92/570346392.db2.gz CFGHPLBCCFEVSM-XZOQPEGZSA-N 1 1 399.494 3.506 50 0 GHAAMO C[C@@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000004894042 570358267 /nfs/dbraw/zinc/35/82/67/570358267.db2.gz MYXPDTPCJBCDEH-GFCCVEGCSA-N 1 1 381.461 3.553 50 0 GHAAMO OCC[C@@H]1CN(C/C(Cl)=C/c2ccccc2)CC[N@H+]1CCc1ccccc1 ZINC000023375417 570358951 /nfs/dbraw/zinc/35/89/51/570358951.db2.gz MOCVREGKKOJSTF-IYTCMIDZSA-N 1 1 384.951 3.878 50 0 GHAAMO CC(C)[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccccc1 ZINC000010931011 570372324 /nfs/dbraw/zinc/37/23/24/570372324.db2.gz ATSUCUNLQIFVLG-UHFFFAOYSA-N 1 1 383.883 3.770 50 0 GHAAMO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2csc(-c3ccc(Cl)cc3)n2)N1 ZINC000024172293 570380025 /nfs/dbraw/zinc/38/00/25/570380025.db2.gz LWGPHYNUZFMNDC-HNNXBMFYSA-N 1 1 380.864 3.910 50 0 GHAAMO C[N@@H+](CCOC(=O)c1ccccc1I)Cc1ccccc1 ZINC000004592547 570386198 /nfs/dbraw/zinc/38/61/98/570386198.db2.gz XMPYNGBBTRUYHI-UHFFFAOYSA-N 1 1 395.240 3.580 50 0 GHAAMO Cc1cc(=O)n2nc(C[NH2+][C@@H](Cc3ccccc3)c3ccccc3)sc2n1 ZINC000024734513 570390504 /nfs/dbraw/zinc/39/05/04/570390504.db2.gz ZXMJTCXFOPLBID-SFHVURJKSA-N 1 1 376.485 3.533 50 0 GHAAMO COc1ccc(Cl)cc1NC(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000035598058 570400708 /nfs/dbraw/zinc/40/07/08/570400708.db2.gz VIMCQYRIDGEXNV-UHFFFAOYSA-N 1 1 388.899 3.740 50 0 GHAAMO COC(=O)c1ccc(C[N@@H+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)cc1 ZINC000013018280 570418716 /nfs/dbraw/zinc/41/87/16/570418716.db2.gz GSAJJCYSXKSZFX-OAQYLSRUSA-N 1 1 399.531 3.951 50 0 GHAAMO CCCC[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)[C@H](C)CC ZINC000026649330 570422237 /nfs/dbraw/zinc/42/22/37/570422237.db2.gz DWGQNKBKEXDEMJ-QGZVFWFLSA-N 1 1 397.585 3.556 50 0 GHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2 ZINC000005132499 570423278 /nfs/dbraw/zinc/42/32/78/570423278.db2.gz BCUWERFBTMXEMD-OAHLLOKOSA-N 1 1 381.501 3.618 50 0 GHAAMO CC[C@@H](CNC(=O)N(C)Cc1ccc(OC)cc1)[N@H+]1CCc2ccccc2C1 ZINC000028391825 570458596 /nfs/dbraw/zinc/45/85/96/570458596.db2.gz FKAYOCWWSJPWNF-NRFANRHFSA-N 1 1 381.520 3.674 50 0 GHAAMO Cc1ccc(NC(=O)N[C@@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000072288959 570479964 /nfs/dbraw/zinc/47/99/64/570479964.db2.gz FGAMFAQLKQJGPG-NRFANRHFSA-N 1 1 387.911 3.797 50 0 GHAAMO COCCC[N@H+](Cc1ccccc1F)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036030944 570517313 /nfs/dbraw/zinc/51/73/13/570517313.db2.gz VXWVBDORZZJYSX-SFHVURJKSA-N 1 1 381.875 3.758 50 0 GHAAMO C[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)C1CCN(c2ccccn2)CC1 ZINC000072308294 570527832 /nfs/dbraw/zinc/52/78/32/570527832.db2.gz ZEYAJXZOKSQNHK-UHFFFAOYSA-N 1 1 397.910 3.928 50 0 GHAAMO COc1ccc(C[N@@H+](CCC(C)C)C[C@H](O)COc2ccc(OC)cc2)cc1 ZINC000036095302 570534621 /nfs/dbraw/zinc/53/46/21/570534621.db2.gz NINONKWEOOOPNT-FQEVSTJZSA-N 1 1 387.520 3.992 50 0 GHAAMO COc1ccc(OC[C@@H](O)C[N@@H+](CCC(C)C)Cc2cccc(OC)c2)cc1 ZINC000036100348 570538131 /nfs/dbraw/zinc/53/81/31/570538131.db2.gz LGMMPCMRXAVVFG-FQEVSTJZSA-N 1 1 387.520 3.992 50 0 GHAAMO Cc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCC(C)C)cc1 ZINC000036101922 570539095 /nfs/dbraw/zinc/53/90/95/570539095.db2.gz PLTLJOBDNPKFPV-NRFANRHFSA-N 1 1 385.504 3.759 50 0 GHAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000011665268 570578921 /nfs/dbraw/zinc/57/89/21/570578921.db2.gz DABGIXMPZCMYER-KRWDZBQOSA-N 1 1 381.476 3.703 50 0 GHAAMO CC[N@H+]1CCc2c(cccc2NC(=O)c2ccn(-c3c(F)cccc3F)n2)C1 ZINC000225484252 570579097 /nfs/dbraw/zinc/57/90/97/570579097.db2.gz IRHCSRAAMXZSPP-UHFFFAOYSA-N 1 1 382.414 3.781 50 0 GHAAMO Cc1c2ccccc2[nH]c1C[N@@H+]1CCN(Cc2ccc(F)c(F)c2)[C@H](CCO)C1 ZINC000039400165 570590690 /nfs/dbraw/zinc/59/06/90/570590690.db2.gz HTBRJECNZCTGOD-GOSISDBHSA-N 1 1 399.485 3.823 50 0 GHAAMO Cc1c2ccccc2[nH]c1C[N@H+]1CCN(Cc2ccc(F)c(F)c2)[C@H](CCO)C1 ZINC000039400165 570590693 /nfs/dbraw/zinc/59/06/93/570590693.db2.gz HTBRJECNZCTGOD-GOSISDBHSA-N 1 1 399.485 3.823 50 0 GHAAMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)CCc4cn[nH]c4)C3)C2)cc1 ZINC000011879969 570591374 /nfs/dbraw/zinc/59/13/74/570591374.db2.gz AVKPSIXRPPSMBX-XMMPIXPASA-N 1 1 394.563 3.980 50 0 GHAAMO CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000005500083 570614728 /nfs/dbraw/zinc/61/47/28/570614728.db2.gz BPIYYUWPZSBKJV-AWEZNQCLSA-N 1 1 387.480 3.556 50 0 GHAAMO COc1ccccc1C1=NN(C(=O)C[NH+]2CCCCC2)[C@@H](c2cccc(F)c2)C1 ZINC000036344817 570627159 /nfs/dbraw/zinc/62/71/59/570627159.db2.gz QNSFSVMWTZWDMF-OAQYLSRUSA-N 1 1 395.478 3.998 50 0 GHAAMO CN1CC[NH+](Cc2ccc(-c3nc(-c4ccccc4Cl)cc(=O)[nH]3)cc2)CC1 ZINC000048319797 570657096 /nfs/dbraw/zinc/65/70/96/570657096.db2.gz QALWNKBQUWGDAV-UHFFFAOYSA-N 1 1 394.906 3.505 50 0 GHAAMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cccc(C[S@](C)=O)c1 ZINC000036392171 570675163 /nfs/dbraw/zinc/67/51/63/570675163.db2.gz XWHOJLBYICDVBV-XDBZFTIUSA-N 1 1 398.572 3.870 50 0 GHAAMO Cc1onc(-c2ccccc2)c1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000053666617 570675310 /nfs/dbraw/zinc/67/53/10/570675310.db2.gz CGSWRRPVGIBWTF-UHFFFAOYSA-N 1 1 375.472 3.651 50 0 GHAAMO C[N@H+](CCOc1ccc(Br)cc1)CC(=O)Nc1ccccc1F ZINC000006882306 570678284 /nfs/dbraw/zinc/67/82/84/570678284.db2.gz HUQLBWMELWJBNX-UHFFFAOYSA-N 1 1 381.245 3.538 50 0 GHAAMO C[N@@H+](CCOc1ccc(Br)cc1)CC(=O)Nc1ccccc1F ZINC000006882306 570678287 /nfs/dbraw/zinc/67/82/87/570678287.db2.gz HUQLBWMELWJBNX-UHFFFAOYSA-N 1 1 381.245 3.538 50 0 GHAAMO COc1ccc(OC[C@H](O)C[N@H+](Cc2ccco2)Cc2cccc(F)c2)cc1 ZINC000032593892 570679439 /nfs/dbraw/zinc/67/94/39/570679439.db2.gz APDGWQGYWZJILY-LJQANCHMSA-N 1 1 385.435 3.869 50 0 GHAAMO COc1ccc(OC[C@H](O)C[N@@H+](Cc2ccco2)Cc2cccc(F)c2)cc1 ZINC000032593892 570679442 /nfs/dbraw/zinc/67/94/42/570679442.db2.gz APDGWQGYWZJILY-LJQANCHMSA-N 1 1 385.435 3.869 50 0 GHAAMO CCOc1ccccc1-c1nc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c(C)o1 ZINC000012587961 570686133 /nfs/dbraw/zinc/68/61/33/570686133.db2.gz HBSSXJZZVHVRIF-UHFFFAOYSA-N 1 1 397.519 3.883 50 0 GHAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3ccc4nonc4c3)C2)cc1 ZINC000055182866 570686393 /nfs/dbraw/zinc/68/63/93/570686393.db2.gz OOXSVKXEELONRJ-FQEVSTJZSA-N 1 1 394.519 3.618 50 0 GHAAMO CCOc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)ccc1OCc1cccnc1 ZINC000058104164 570709354 /nfs/dbraw/zinc/70/93/54/570709354.db2.gz PQACLNJVEDJZGA-GOSISDBHSA-N 1 1 397.519 3.519 50 0 GHAAMO Cc1cccc(C)c1NC(=O)C[N@H+](C)C[C@@H](O)c1ccc(OC(F)F)cc1 ZINC000058160918 570712949 /nfs/dbraw/zinc/71/29/49/570712949.db2.gz XSSVCOLLKSCKKG-QGZVFWFLSA-N 1 1 378.419 3.509 50 0 GHAAMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)C[C@@H](O)c1ccc(OC(F)F)cc1 ZINC000058160918 570712952 /nfs/dbraw/zinc/71/29/52/570712952.db2.gz XSSVCOLLKSCKKG-QGZVFWFLSA-N 1 1 378.419 3.509 50 0 GHAAMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCOc2ccc(F)cc2)cc1Cl ZINC000015101709 570736161 /nfs/dbraw/zinc/73/61/61/570736161.db2.gz KQHIMHLXOQBTQO-ZDUSSCGKSA-N 1 1 380.847 3.826 50 0 GHAAMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCOc2ccc(F)cc2)cc1Cl ZINC000015101709 570736163 /nfs/dbraw/zinc/73/61/63/570736163.db2.gz KQHIMHLXOQBTQO-ZDUSSCGKSA-N 1 1 380.847 3.826 50 0 GHAAMO O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000025517848 570755194 /nfs/dbraw/zinc/75/51/94/570755194.db2.gz FBUFXRKGKMRLSG-UHFFFAOYSA-N 1 1 396.441 3.703 50 0 GHAAMO O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000025517848 570755197 /nfs/dbraw/zinc/75/51/97/570755197.db2.gz FBUFXRKGKMRLSG-UHFFFAOYSA-N 1 1 396.441 3.703 50 0 GHAAMO COCC[N@H+]1CC[C@@H](Cn2cnc(-c3ccccc3)c2-c2cnn(C(C)C)c2)C1 ZINC000065382371 570763154 /nfs/dbraw/zinc/76/31/54/570763154.db2.gz MELRGAIQGKEQNU-LJQANCHMSA-N 1 1 393.535 3.963 50 0 GHAAMO COc1c2c(cc3c1[C@H](Cc1ccc(NC(=O)C(C)C)cc1)[N@@H+](C)CC3)OCO2 ZINC000524729749 570764264 /nfs/dbraw/zinc/76/42/64/570764264.db2.gz HZHSQKNPEMCXOI-SFHVURJKSA-N 1 1 396.487 3.790 50 0 biogenic GHAAMO C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000012506481 570822203 /nfs/dbraw/zinc/82/22/03/570822203.db2.gz HCTNOHYURNFDCM-HXUWFJFHSA-N 1 1 392.547 3.826 50 0 GHAAMO Cc1ccccc1[C@@H](C)CC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000170601442 570859074 /nfs/dbraw/zinc/85/90/74/570859074.db2.gz YNHIWKAFMOWFJI-RDPSFJRHSA-N 1 1 380.532 3.584 50 0 GHAAMO C[N@@H+](CCN(C(=O)c1cc2cc(Br)ccc2o1)C1CC1)C1CC1 ZINC000170606109 570863822 /nfs/dbraw/zinc/86/38/22/570863822.db2.gz MWXVIJNUDGMDLX-UHFFFAOYSA-N 1 1 377.282 3.894 50 0 GHAAMO CC[C@@H](NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C)cc1 ZINC000032889805 570888982 /nfs/dbraw/zinc/88/89/82/570888982.db2.gz NKRAGLXFDJCWCO-JOCHJYFZSA-N 1 1 381.520 3.778 50 0 GHAAMO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[N@@H+](C)C[C@H](O)c1ccc(O)cc1 ZINC000004073149 570929876 /nfs/dbraw/zinc/92/98/76/570929876.db2.gz DNZIKYSLYLRNLJ-IBMWBZEQSA-N 1 1 399.531 3.816 50 0 biogenic GHAAMO O=C([C@H]1CCC[N@@H+](Cc2ccccn2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000001277532 570952514 /nfs/dbraw/zinc/95/25/14/570952514.db2.gz HBFZNKLHHSIZCR-QFIPXVFZSA-N 1 1 377.532 3.775 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000252452391 570957959 /nfs/dbraw/zinc/95/79/59/570957959.db2.gz GLCKDGRVVUHGKI-JXFKEZNVSA-N 1 1 385.533 3.749 50 0 GHAAMO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000106863889 570967724 /nfs/dbraw/zinc/96/77/24/570967724.db2.gz YXWHAUKPJBUSEA-KGLIPLIRSA-N 1 1 392.906 3.823 50 0 GHAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNc3ccnc4c(F)cccc34)c2)C1 ZINC000252492192 570974496 /nfs/dbraw/zinc/97/44/96/570974496.db2.gz MFJXLWVVLLPGPL-SFHVURJKSA-N 1 1 392.478 3.683 50 0 GHAAMO COc1ccc(C[N@H+](Cc2cc(=O)n3cccc(C)c3n2)CC(C)C)cc1OC ZINC000045974064 571007107 /nfs/dbraw/zinc/00/71/07/571007107.db2.gz PGLOSUXHTAVOKX-UHFFFAOYSA-N 1 1 395.503 3.678 50 0 GHAAMO COc1ccc(CN(C(=O)C[N@H+]2CC=C(c3ccccc3)CC2)C2CC2)cc1 ZINC000007647407 571010497 /nfs/dbraw/zinc/01/04/97/571010497.db2.gz HBFAESFLTSDZOY-UHFFFAOYSA-N 1 1 376.500 3.976 50 0 GHAAMO COc1ccc(CN(C(=O)C[N@@H+]2CC=C(c3ccccc3)CC2)C2CC2)cc1 ZINC000007647407 571010501 /nfs/dbraw/zinc/01/05/01/571010501.db2.gz HBFAESFLTSDZOY-UHFFFAOYSA-N 1 1 376.500 3.976 50 0 GHAAMO Cc1nnc(SCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)s1 ZINC000084296737 571011607 /nfs/dbraw/zinc/01/16/07/571011607.db2.gz GEZXHSVTYOATRX-OAHLLOKOSA-N 1 1 396.969 3.545 50 0 GHAAMO CCOc1cc(CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)ccn1 ZINC000084805136 571039374 /nfs/dbraw/zinc/03/93/74/571039374.db2.gz CSQNSHPQLJGSIL-UHFFFAOYSA-N 1 1 389.499 3.799 50 0 GHAAMO C[N@H+](C[C@H](O)COc1ccccc1CN1CCC(F)(F)CC1)C1CCCCC1 ZINC000095516377 571083847 /nfs/dbraw/zinc/08/38/47/571083847.db2.gz BGSRLJQBWRCEAO-FQEVSTJZSA-N 1 1 396.522 3.922 50 0 GHAAMO C[N@@H+](C[C@H](O)COc1ccccc1CN1CCC(F)(F)CC1)C1CCCCC1 ZINC000095516377 571083852 /nfs/dbraw/zinc/08/38/52/571083852.db2.gz BGSRLJQBWRCEAO-FQEVSTJZSA-N 1 1 396.522 3.922 50 0 GHAAMO O=C(CCC[N@H+]1CC[C@@H](c2ccc3c(c2)OCO3)C1)c1ccc2c(c1)OCCO2 ZINC000022228570 838911845 /nfs/dbraw/zinc/91/18/45/838911845.db2.gz NRRROZYOVOREGM-GOSISDBHSA-N 1 1 395.455 3.639 50 0 GHAAMO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1c(F)cccc1Cl ZINC000028305541 861328946 /nfs/dbraw/zinc/32/89/46/861328946.db2.gz OELBZCPBTWTZDM-UHFFFAOYSA-N 1 1 388.874 3.845 50 0 GHAAMO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1c(C)nn(C)c1Oc1cccnc1)CCO2 ZINC000187551063 842646682 /nfs/dbraw/zinc/64/66/82/842646682.db2.gz AIWWJWSZAIMSQC-FQEVSTJZSA-N 1 1 394.475 3.928 50 0 GHAAMO C[N@@H+]1CCN(C(=O)/C=C\c2cc3c(c(Cl)c2)OCO3)[C@@H](c2ccccc2)C1 ZINC000229622498 862058440 /nfs/dbraw/zinc/05/84/40/862058440.db2.gz KVUJJOUAQWWGRD-JTHGQSKGSA-N 1 1 384.863 3.597 50 0 GHAAMO C[N@H+]1CCN(C(=O)/C=C\c2cc3c(c(Cl)c2)OCO3)[C@@H](c2ccccc2)C1 ZINC000229622498 862058448 /nfs/dbraw/zinc/05/84/48/862058448.db2.gz KVUJJOUAQWWGRD-JTHGQSKGSA-N 1 1 384.863 3.597 50 0 GHAAMO Cc1csc(SCC(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1 ZINC000012472878 855975529 /nfs/dbraw/zinc/97/55/29/855975529.db2.gz RGPRLAZAEJOWFW-QGZVFWFLSA-N 1 1 375.563 3.667 50 0 GHAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)CCC2 ZINC000008327456 856120774 /nfs/dbraw/zinc/12/07/74/856120774.db2.gz RRGSMTOVWIHULM-FQEVSTJZSA-N 1 1 378.472 3.722 50 0 GHAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)CCC2 ZINC000008327456 856120778 /nfs/dbraw/zinc/12/07/78/856120778.db2.gz RRGSMTOVWIHULM-FQEVSTJZSA-N 1 1 378.472 3.722 50 0 GHAAMO CCOC(=O)[C@H]1CCC[N@@H+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)C1 ZINC000004084045 862765537 /nfs/dbraw/zinc/76/55/37/862765537.db2.gz XQDHJGCDKQBSMO-KOLGCSPPSA-N 1 1 389.536 3.576 50 0 biogenic GHAAMO CCn1c2ccccc2nc1CN1CC[N@@H+](CC2CCCCC2)[C@H](CCO)C1 ZINC000039519009 856453382 /nfs/dbraw/zinc/45/33/82/856453382.db2.gz DREVUJNJYQJPPE-HXUWFJFHSA-N 1 1 384.568 3.505 50 0 GHAAMO C[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)NCc2ccc(F)cc2)C1 ZINC000008912268 856646411 /nfs/dbraw/zinc/64/64/11/856646411.db2.gz UCNUGZBIBZCINS-UHFFFAOYSA-N 1 1 398.507 3.665 50 0 GHAAMO CC(C)C[C@H](CNC(=O)Nc1ccccc1SC(F)F)[NH+]1CCOCC1 ZINC000040103926 856661614 /nfs/dbraw/zinc/66/16/14/856661614.db2.gz LKXHTVMYBBXEPK-CQSZACIVSA-N 1 1 387.496 3.870 50 0 GHAAMO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000040108094 856665168 /nfs/dbraw/zinc/66/51/68/856665168.db2.gz QPSNCBNUXLXQIX-CQSZACIVSA-N 1 1 379.570 3.893 50 0 GHAAMO CC[N@@H+]1CCc2nc(NC(=O)c3oc4c(c3C)C(=O)CC(C)(C)C4)sc2C1 ZINC000040140355 856678331 /nfs/dbraw/zinc/67/83/31/856678331.db2.gz LCQSPXJQBPUGFJ-UHFFFAOYSA-N 1 1 387.505 3.830 50 0 GHAAMO CC[N@H+]1CCc2nc(NC(=O)c3oc4c(c3C)C(=O)CC(C)(C)C4)sc2C1 ZINC000040140355 856678338 /nfs/dbraw/zinc/67/83/38/856678338.db2.gz LCQSPXJQBPUGFJ-UHFFFAOYSA-N 1 1 387.505 3.830 50 0 GHAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccn2-c2nccs2)C1)c1cccs1 ZINC000012592735 858996201 /nfs/dbraw/zinc/99/62/01/858996201.db2.gz SOAJNXMTGAKKRV-HNNXBMFYSA-N 1 1 386.546 3.637 50 0 GHAAMO CCCC[N@@H+](C)Cc1ccc(C(=O)NCc2cc3ccccc3s2)c(=O)[nH]1 ZINC000012150600 859160700 /nfs/dbraw/zinc/16/07/00/859160700.db2.gz SRTUZVXJCUCVJQ-UHFFFAOYSA-N 1 1 383.517 3.752 50 0 GHAAMO CCCN(CC1CC1)C(=O)CCC[C@H]1[NH2+]C[C@@H]2C[C@H]1CN(Cc1ccccc1)C2 ZINC000257174920 859355007 /nfs/dbraw/zinc/35/50/07/859355007.db2.gz MAJQBMKPKWYACC-KMDXXIMOSA-N 1 1 397.607 3.915 50 0 GHAAMO Cn1cc(C[N@@H+]2CCc3[nH]nc(C(c4ccccc4)c4ccccc4)c3C2)cn1 ZINC000042942816 859558458 /nfs/dbraw/zinc/55/84/58/859558458.db2.gz JGGZYGQXLRVYPU-UHFFFAOYSA-N 1 1 383.499 3.882 50 0 GHAAMO Cn1cc(C[N@H+]2CCc3[nH]nc(C(c4ccccc4)c4ccccc4)c3C2)cn1 ZINC000042942816 859558465 /nfs/dbraw/zinc/55/84/65/859558465.db2.gz JGGZYGQXLRVYPU-UHFFFAOYSA-N 1 1 383.499 3.882 50 0 GHAAMO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(c2cc[nH+]c3ccc(Cl)cc32)C1 ZINC000376423368 859573964 /nfs/dbraw/zinc/57/39/64/859573964.db2.gz WLMGHQKAHFUMBQ-CYBMUJFWSA-N 1 1 383.883 3.697 50 0 GHAAMO O=C(c1ccccc1OC[C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCCCC1 ZINC000169776580 859773559 /nfs/dbraw/zinc/77/35/59/859773559.db2.gz PUOSDSMLZRDZAH-NRFANRHFSA-N 1 1 393.531 3.999 50 0 GHAAMO CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCC[N@@H+](Cc2cc(C)n[nH]2)C1 ZINC000012300145 859783484 /nfs/dbraw/zinc/78/34/84/859783484.db2.gz AETUDTDXXICRQA-FQEVSTJZSA-N 1 1 375.900 3.760 50 0 GHAAMO C/C(=C\c1ccccc1)C[N@H+]1CC[C@]2(C1)CCCN(Cc1cccnc1)C2=O ZINC000012307458 859835434 /nfs/dbraw/zinc/83/54/34/859835434.db2.gz YCOSZPYYSGRPSD-ATOQVSERSA-N 1 1 375.516 4.000 50 0 GHAAMO CCc1oc(C(=O)N[C@H](C)CN2CCc3ccccc3C2)cc1C[NH+]1CCCC1 ZINC000823570775 863127940 /nfs/dbraw/zinc/12/79/40/863127940.db2.gz QJGBXBUAGPTWRZ-GOSISDBHSA-N 1 1 395.547 3.614 50 0 GHAAMO O=C(NC1CC1)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@H+]1Cc1cccc(O)c1 ZINC000828111330 865189308 /nfs/dbraw/zinc/18/93/08/865189308.db2.gz BFEFPLRQWKSULU-UXHICEINSA-N 1 1 386.492 3.545 50 0 GHAAMO O=C(NC1CC1)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@@H+]1Cc1cccc(O)c1 ZINC000828111330 865189318 /nfs/dbraw/zinc/18/93/18/865189318.db2.gz BFEFPLRQWKSULU-UXHICEINSA-N 1 1 386.492 3.545 50 0 GHAAMO COCC(=O)N(CC(C)C)C[C@H]1C[N@@H+](Cc2ccco2)C[C@H]1c1ccc(C)cc1 ZINC000034740418 865769552 /nfs/dbraw/zinc/76/95/52/865769552.db2.gz WJPACUIHXPVQKO-GGAORHGYSA-N 1 1 398.547 3.935 50 0 GHAAMO Cc1ncsc1C[N@H+]1CCC[C@@H](c2nc(CCOCc3ccccc3)no2)C1 ZINC000575316853 865991639 /nfs/dbraw/zinc/99/16/39/865991639.db2.gz IMZCZGLWWSFZAK-GOSISDBHSA-N 1 1 398.532 3.973 50 0 GHAAMO Cn1cccc1C[N@H+]1CCC[C@H](c2nc(CCOCc3ccccc3)no2)C1 ZINC000575317347 865991738 /nfs/dbraw/zinc/99/17/38/865991738.db2.gz GKRPRCOLCLRQTF-IBGZPJMESA-N 1 1 380.492 3.547 50 0 GHAAMO COc1ccc(C[N@H+]2CC[C@H](n3c(C)cnc3C3CC3)C2)cc1Cn1ccnc1 ZINC000575548956 866189010 /nfs/dbraw/zinc/18/90/10/866189010.db2.gz LRHSMVCWCSCQPX-NRFANRHFSA-N 1 1 391.519 3.769 50 0 GHAAMO C[N@@H+](CCNC(=O)CCC1CCN(C(=O)c2ccccc2)CC1)C1CCCCC1 ZINC000581774440 869966755 /nfs/dbraw/zinc/96/67/55/869966755.db2.gz MYBDDVRSDPTFRC-UHFFFAOYSA-N 1 1 399.579 3.700 50 0 GHAAMO COC[C@@H]1C[N@H+](C2CCC2)CC12CCN(C(=O)CCCc1ccccc1)CC2 ZINC000581801248 870000538 /nfs/dbraw/zinc/00/05/38/870000538.db2.gz SSIVCFAYRBCONB-NRFANRHFSA-N 1 1 384.564 3.749 50 0 GHAAMO Cc1ccc(CNC(=O)N2CC([N@@H+](Cc3ccccc3)C3CCOCC3)C2)cc1 ZINC000581794478 870012647 /nfs/dbraw/zinc/01/26/47/870012647.db2.gz FQGPUHQOKLDGBZ-UHFFFAOYSA-N 1 1 393.531 3.570 50 0 GHAAMO Cc1c[nH+]c(CCNC(=O)C2(c3ccccc3)CC2)n1Cc1ccc(F)cc1 ZINC000581817122 870049355 /nfs/dbraw/zinc/04/93/55/870049355.db2.gz QYCFLJUIIAOJQE-UHFFFAOYSA-N 1 1 377.463 3.769 50 0 GHAAMO CCCS(=O)(=O)N1CCC([N@H+]2CC3(CCCCC3)[C@H]2c2ccncc2)CC1 ZINC000575317084 873749790 /nfs/dbraw/zinc/74/97/90/873749790.db2.gz ADYLXRHSZJHBKG-HXUWFJFHSA-N 1 1 391.581 3.593 50 0 GHAAMO CCOc1cc(C[N@@H+]2CCCN(c3nc(C)ns3)CC2)ccc1OC(F)F ZINC000093717183 912396237 /nfs/dbraw/zinc/39/62/37/912396237.db2.gz MDPKPVHLEDPHEU-UHFFFAOYSA-N 1 1 398.479 3.559 50 0 GHAAMO CCOc1cc(C[N@H+]2CCCN(c3nc(C)ns3)CC2)ccc1OC(F)F ZINC000093717183 912396260 /nfs/dbraw/zinc/39/62/60/912396260.db2.gz MDPKPVHLEDPHEU-UHFFFAOYSA-N 1 1 398.479 3.559 50 0 GHAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000670455887 893544027 /nfs/dbraw/zinc/54/40/27/893544027.db2.gz LRRNPXTYZRSPFZ-CQSZACIVSA-N 1 1 385.464 3.535 50 0 GHAAMO C[N@H+](Cc1cccnc1)C[C@@H]1CCCN(C(=O)c2ccccc2OC2CC2)C1 ZINC000585083167 897069439 /nfs/dbraw/zinc/06/94/39/897069439.db2.gz WJBTWARBSHDCMW-IBGZPJMESA-N 1 1 379.504 3.607 50 0 GHAAMO Cc1nc(CN2CCC[N@H+](CCCc3c(Cl)cccc3Cl)CC2)no1 ZINC000193232840 904352541 /nfs/dbraw/zinc/35/25/41/904352541.db2.gz RKAKMQJHPOHZPN-UHFFFAOYSA-N 1 1 383.323 3.825 50 0 GHAAMO Cc1nc(CN2CCC[N@@H+](CCCc3c(Cl)cccc3Cl)CC2)no1 ZINC000193232840 904352555 /nfs/dbraw/zinc/35/25/55/904352555.db2.gz RKAKMQJHPOHZPN-UHFFFAOYSA-N 1 1 383.323 3.825 50 0 GHAAMO CN(Cc1cc(-c2cccnc2)no1)C(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000952971160 904649813 /nfs/dbraw/zinc/64/98/13/904649813.db2.gz FUERFQXKGQDHTC-UHFFFAOYSA-N 1 1 390.487 3.575 50 0 GHAAMO Cc1nc([C@@H](C)[N@H+](C)Cc2ccc(OCC(=O)N3CCCC3)cc2)c(C)s1 ZINC000952973398 904651324 /nfs/dbraw/zinc/65/13/24/904651324.db2.gz SSHMLXOEBRNCED-OAHLLOKOSA-N 1 1 387.549 3.954 50 0 GHAAMO Cc1nc([C@@H](C)[N@@H+](C)Cc2ccc(OCC(=O)N3CCCC3)cc2)c(C)s1 ZINC000952973398 904651335 /nfs/dbraw/zinc/65/13/35/904651335.db2.gz SSHMLXOEBRNCED-OAHLLOKOSA-N 1 1 387.549 3.954 50 0 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COc1cc2c(cc1OC)C[N@H+](Cc1cc(=O)oc3c(C)c(C)ccc13)CC2 ZINC000025479952 570754356 /nfs/dbraw/zinc/75/43/56/570754356.db2.gz XGIAIGYIOVHHAZ-UHFFFAOYSA-N 1 1 379.456 3.985 50 0 GHAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1cc(=O)oc3c(C)c(C)ccc13)CC2 ZINC000025479952 570754358 /nfs/dbraw/zinc/75/43/58/570754358.db2.gz XGIAIGYIOVHHAZ-UHFFFAOYSA-N 1 1 379.456 3.985 50 0 GHAAMO CCc1noc(-c2cccnc2N2CCC[N@@H+](Cc3cc(F)cc(F)c3)CC2)n1 ZINC000065257902 570758892 /nfs/dbraw/zinc/75/88/92/570758892.db2.gz SMFJDSRCOBXPPN-UHFFFAOYSA-N 1 1 399.445 3.685 50 0 GHAAMO Cc1nc(NCCNC(=O)Nc2ccc3ccccc3c2)cc(N2CCCC2)[nH+]1 ZINC000065362802 570760315 /nfs/dbraw/zinc/76/03/15/570760315.db2.gz VWPJPAFNOIBXML-UHFFFAOYSA-N 1 1 390.491 3.772 50 0 GHAAMO CC[NH+]1CCN(CCOc2ccccc2-c2nc[nH]c2-c2ccccc2)CC1 ZINC000065431633 570768477 /nfs/dbraw/zinc/76/84/77/570768477.db2.gz PXDKQXFCWJPKSH-UHFFFAOYSA-N 1 1 376.504 3.760 50 0 GHAAMO O=C(C[C@@H](c1ccsc1)n1cccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000524735418 570774070 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ZINC000010056280 570891294 /nfs/dbraw/zinc/89/12/94/570891294.db2.gz KNTWEMWVHQKKAH-SFHVURJKSA-N 1 1 383.511 3.953 50 0 GHAAMO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000010056280 570891298 /nfs/dbraw/zinc/89/12/98/570891298.db2.gz KNTWEMWVHQKKAH-SFHVURJKSA-N 1 1 383.511 3.953 50 0 GHAAMO CCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000042687089 570892966 /nfs/dbraw/zinc/89/29/66/570892966.db2.gz YUMFTYQJEIZTSR-GFCCVEGCSA-N 1 1 386.323 3.559 50 0 GHAAMO CCCc1cc(-c2ccc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@H+]4C)cc2)nc(C)n1 ZINC000534633535 570910857 /nfs/dbraw/zinc/91/08/57/570910857.db2.gz YZHKVOWDXMRDMK-LEWJYISDSA-N 1 1 378.520 3.713 50 0 GHAAMO Cc1ccsc1[C@@H](CNC(=O)N(C)Cc1nc2ccc(C)cc2[nH]1)[NH+](C)C ZINC000534636926 570911809 /nfs/dbraw/zinc/91/18/09/570911809.db2.gz UFIZZXAMLSEVLK-QGZVFWFLSA-N 1 1 385.537 3.686 50 0 GHAAMO Cc1ccsc1[C@H](CNC(=O)N(C)Cc1nc2ccc(C)cc2[nH]1)[NH+](C)C ZINC000534636925 570911849 /nfs/dbraw/zinc/91/18/49/570911849.db2.gz 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CCOc1cccc(N2C(=O)C[C@@H]([NH+]3CCC(c4ccccc4)CC3)C2=O)c1 ZINC000004785217 570988855 /nfs/dbraw/zinc/98/88/55/570988855.db2.gz ATTUGCUEQXGPOY-OAQYLSRUSA-N 1 1 378.472 3.597 50 0 GHAAMO COc1ccc(C[N@H+](C)Cc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 ZINC000046032176 571013593 /nfs/dbraw/zinc/01/35/93/571013593.db2.gz JBPARMJHNSRZNT-UHFFFAOYSA-N 1 1 398.532 3.839 50 0 GHAAMO COc1ccc(C[N@@H+](C)Cc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 ZINC000046032176 571013598 /nfs/dbraw/zinc/01/35/98/571013598.db2.gz JBPARMJHNSRZNT-UHFFFAOYSA-N 1 1 398.532 3.839 50 0 GHAAMO c1cn(Cc2ccccc2)c(C[N@@H+]2CCCN(c3nc4ccccc4[nH]3)CC2)n1 ZINC000084549006 571023063 /nfs/dbraw/zinc/02/30/63/571023063.db2.gz AEMRSOQPCGNQLN-UHFFFAOYSA-N 1 1 386.503 3.520 50 0 GHAAMO c1cn(Cc2ccccc2)c(C[N@H+]2CCCN(c3nc4ccccc4[nH]3)CC2)n1 ZINC000084549006 571023069 /nfs/dbraw/zinc/02/30/69/571023069.db2.gz AEMRSOQPCGNQLN-UHFFFAOYSA-N 1 1 386.503 3.520 50 0 GHAAMO Cc1noc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000095499815 835768708 /nfs/dbraw/zinc/76/87/08/835768708.db2.gz LZDPTENTSHUMQN-HXUWFJFHSA-N 1 1 383.540 3.820 50 0 GHAAMO COc1ccccc1-c1nc(CN2CCC([N@H+]3CCO[C@H](C)C3)CC2)cs1 ZINC000066561694 836272129 /nfs/dbraw/zinc/27/21/29/836272129.db2.gz XMBZXUSOMJQZJO-MRXNPFEDSA-N 1 1 387.549 3.504 50 0 GHAAMO Cc1ccnc(Oc2ccc(NC(=O)[C@@H](C)[N@@H+]3CCc4ccccc4C3)cc2)n1 ZINC000177331768 836345836 /nfs/dbraw/zinc/34/58/36/836345836.db2.gz SAHVENXPNHHDGP-QGZVFWFLSA-N 1 1 388.471 3.963 50 0 GHAAMO Cc1ccnc(Oc2ccc(NC(=O)[C@@H](C)[N@H+]3CCc4ccccc4C3)cc2)n1 ZINC000177331768 836345843 /nfs/dbraw/zinc/34/58/43/836345843.db2.gz SAHVENXPNHHDGP-QGZVFWFLSA-N 1 1 388.471 3.963 50 0 GHAAMO CCn1cc(C[N@@H+]2CCc3[nH]nc(-c4c(C)onc4-c4ccccc4)c3C2)cn1 ZINC000020119354 839895657 /nfs/dbraw/zinc/89/56/57/839895657.db2.gz AJRUFOUJZNVZKQ-UHFFFAOYSA-N 1 1 388.475 3.815 50 0 GHAAMO CCn1cc(C[N@H+]2CCc3[nH]nc(-c4c(C)onc4-c4ccccc4)c3C2)cn1 ZINC000020119354 839895661 /nfs/dbraw/zinc/89/56/61/839895661.db2.gz AJRUFOUJZNVZKQ-UHFFFAOYSA-N 1 1 388.475 3.815 50 0 GHAAMO COc1cc(OC)c(OC)cc1CN1CCC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000020600091 839960323 /nfs/dbraw/zinc/96/03/23/839960323.db2.gz HNUXKSPZWNEXCH-FQEVSTJZSA-N 1 1 384.520 3.809 50 0 GHAAMO Cc1[nH]c(C)c(-c2ccc(C(=O)N(C)C[C@H]3COc4ccccc4O3)cc2)[nH+]1 ZINC000584887622 841165047 /nfs/dbraw/zinc/16/50/47/841165047.db2.gz XBWGEPIMXSMELV-SFHVURJKSA-N 1 1 377.444 3.606 50 0 GHAAMO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@@H+](Cc4ccc(C)o4)C3)C2=O)c1 ZINC000012430640 862312790 /nfs/dbraw/zinc/31/27/90/862312790.db2.gz PSUNKEBVAWJSCE-QFIPXVFZSA-N 1 1 386.467 3.750 50 0 GHAAMO CCOC(=O)/C=C/c1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000029489205 853149387 /nfs/dbraw/zinc/14/93/87/853149387.db2.gz QQZZLYRTFFZSCA-XISXUPMFSA-N 1 1 378.472 3.821 50 0 GHAAMO CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000058438878 862511339 /nfs/dbraw/zinc/51/13/39/862511339.db2.gz KPWKRKOJJYMWRN-FQEVSTJZSA-N 1 1 392.588 3.816 50 0 GHAAMO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)c2cn(C3CCCCCC3)nn2)C1 ZINC000012459184 862547528 /nfs/dbraw/zinc/54/75/28/862547528.db2.gz XCSOWTMKWSOONZ-LJQANCHMSA-N 1 1 395.551 3.701 50 0 GHAAMO CC1(CCCC[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)OCCO1 ZINC000253429887 855104402 /nfs/dbraw/zinc/10/44/02/855104402.db2.gz OSXKFHZWCSKOAN-KRWDZBQOSA-N 1 1 393.503 3.593 50 0 GHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@@H]32)C1 ZINC000004044685 862737491 /nfs/dbraw/zinc/73/74/91/862737491.db2.gz SBBCQMGYCCNVDO-NOEHVLKNSA-N 1 1 389.536 3.720 50 0 biogenic GHAAMO Cc1nc(-c2ccccn2)sc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000008879117 856396576 /nfs/dbraw/zinc/39/65/76/856396576.db2.gz ZHJQGEMAHXSVBT-INIZCTEOSA-N 1 1 382.489 3.673 50 0 GHAAMO CCN1CC[NH+]([C@@H](C)CNc2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000059389312 862884141 /nfs/dbraw/zinc/88/41/41/862884141.db2.gz AWGBJEKRRVAFJS-INIZCTEOSA-N 1 1 381.549 3.796 50 0 GHAAMO COc1ccccc1CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C[C@H]2CC=CCC2)C1 ZINC000011911097 857985742 /nfs/dbraw/zinc/98/57/42/857985742.db2.gz TUAKRZAWKQKAJT-KSEOMHKRSA-N 1 1 382.548 3.907 50 0 GHAAMO Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(C(C)C)no3)CCNC(=O)CC2)s1 ZINC000257181129 859579125 /nfs/dbraw/zinc/57/91/25/859579125.db2.gz MLULHWVMSDCOBV-INIZCTEOSA-N 1 1 390.553 3.839 50 0 GHAAMO CCn1cc(C[N@H+]2CCCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)c(C)n1 ZINC000064074180 859764494 /nfs/dbraw/zinc/76/44/94/859764494.db2.gz AUGPNMXZAWILPL-UHFFFAOYSA-N 1 1 392.551 3.792 50 0 GHAAMO Cc1ncsc1C[N@H+]1CCC[C@@H](c2nc(CCOCC3CCCC3)no2)C1 ZINC000169788485 859786323 /nfs/dbraw/zinc/78/63/23/859786323.db2.gz HEYLRDSXATUFQH-QGZVFWFLSA-N 1 1 390.553 3.963 50 0 GHAAMO COc1ccc([C@@H]2C[C@H]3CN(Cc4cccnc4)C(=O)[C@]34CCC[N@@H+]24)c(C)c1C ZINC000012308071 859836622 /nfs/dbraw/zinc/83/66/22/859836622.db2.gz WZOGLEODTPQGJC-PTLVVNQVSA-N 1 1 391.515 3.645 50 0 GHAAMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ncccc2Cl)C1)C1CCCC1 ZINC000528442611 860357491 /nfs/dbraw/zinc/35/74/91/860357491.db2.gz ZODMULAJUFQXOF-OAHLLOKOSA-N 1 1 387.915 3.966 50 0 GHAAMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ncccc2Cl)C1)C1CCCC1 ZINC000528442611 860357496 /nfs/dbraw/zinc/35/74/96/860357496.db2.gz ZODMULAJUFQXOF-OAHLLOKOSA-N 1 1 387.915 3.966 50 0 GHAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@H+](C)Cc1cccc(Cl)c1 ZINC000007916935 860362461 /nfs/dbraw/zinc/36/24/61/860362461.db2.gz FZGKQWFXDZSYSU-MRXNPFEDSA-N 1 1 387.911 3.532 50 0 GHAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000007916935 860362464 /nfs/dbraw/zinc/36/24/64/860362464.db2.gz FZGKQWFXDZSYSU-MRXNPFEDSA-N 1 1 387.911 3.532 50 0 GHAAMO CCC[NH+](CCC)CN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O ZINC000019990256 860459923 /nfs/dbraw/zinc/45/99/23/860459923.db2.gz OUVRNDHPRODTMQ-SFQUDFHCSA-N 1 1 378.494 3.820 50 0 GHAAMO Cn1cccc1[C@H](CNC(=O)c1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000021151585 860728314 /nfs/dbraw/zinc/72/83/14/860728314.db2.gz FMBSXUJWHUJQGH-QFIPXVFZSA-N 1 1 377.463 3.694 50 0 GHAAMO Cn1cccc1[C@H](CNC(=O)c1ccc(F)cc1)[N@H+]1CCc2ccccc2C1 ZINC000021151585 860728319 /nfs/dbraw/zinc/72/83/19/860728319.db2.gz FMBSXUJWHUJQGH-QFIPXVFZSA-N 1 1 377.463 3.694 50 0 GHAAMO CCc1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)no1 ZINC000021366000 860781103 /nfs/dbraw/zinc/78/11/03/860781103.db2.gz SSPCXMOBDQYQOX-UHFFFAOYSA-N 1 1 375.472 3.784 50 0 GHAAMO O=C(Nc1cccc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1)c1ccco1 ZINC000096116471 860786490 /nfs/dbraw/zinc/78/64/90/860786490.db2.gz URVZAZCWJLNLLK-PKOBYXMFSA-N 1 1 381.476 3.526 50 0 biogenic GHAAMO Cc1ccc(NC(=O)C[NH+](C)C)c(NC(=O)c2ccccc2C(F)(F)F)c1 ZINC000823676149 863156478 /nfs/dbraw/zinc/15/64/78/863156478.db2.gz KSQZKYGSRZGCDZ-UHFFFAOYSA-N 1 1 379.382 3.766 50 0 GHAAMO COc1ccc(OC)c(CNC(=O)[C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)c1 ZINC000824716788 864116165 /nfs/dbraw/zinc/11/61/65/864116165.db2.gz HZJUPKOFNOOATN-OAQYLSRUSA-N 1 1 386.467 3.686 50 0 GHAAMO COc1ccc2c(C)c(C(=O)Nc3ccc(NC(=O)C[NH+](C)C)cc3)oc2c1 ZINC000824758960 864132032 /nfs/dbraw/zinc/13/20/32/864132032.db2.gz JYDOYNLICQKNLM-UHFFFAOYSA-N 1 1 381.432 3.502 50 0 GHAAMO CSc1ccc2cc(C[N@H+]3CCC[C@@H](CNC(=O)C4(C)CC4)C3)c(=O)[nH]c2c1 ZINC000824939778 864210222 /nfs/dbraw/zinc/21/02/22/864210222.db2.gz UYFXIRCXAYZLKJ-HNNXBMFYSA-N 1 1 399.560 3.791 50 0 GHAAMO CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)Nc2cc(-c3cccnc3)ccc2C)C1 ZINC000626547471 864374298 /nfs/dbraw/zinc/37/42/98/864374298.db2.gz HNRHSMWXQDEHNK-RZUBCFFCSA-N 1 1 394.519 3.820 50 0 GHAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccnn2-c2ccccc2)C1)c1cccs1 ZINC000828187369 865232852 /nfs/dbraw/zinc/23/28/52/865232852.db2.gz MKNYKRZRLCICLJ-KRWDZBQOSA-N 1 1 380.517 3.576 50 0 GHAAMO Cc1ncoc1C(=O)N1CCC([N@H+]2CC3(CCCCC3)[C@H]2c2ccncc2)CC1 ZINC000575317391 865991774 /nfs/dbraw/zinc/99/17/74/865991774.db2.gz NAXYYPKRYHXPPV-OAQYLSRUSA-N 1 1 394.519 3.990 50 0 GHAAMO COCc1nc(-c2ccc(O[C@H]3CC[N@@H+](Cc4cccc(OC)c4)C3)cc2)no1 ZINC000581780888 869963659 /nfs/dbraw/zinc/96/36/59/869963659.db2.gz KNWOKMNWVDAUCQ-FQEVSTJZSA-N 1 1 395.459 3.545 50 0 GHAAMO O=C(c1cccs1)N1CCC(Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000581810132 870041730 /nfs/dbraw/zinc/04/17/30/870041730.db2.gz ZGRWFUYTCLUUEP-UHFFFAOYSA-N 1 1 384.545 3.675 50 0 GHAAMO Cc1c[nH+]c(CCNC(=O)NCc2ccc(F)cc2)n1Cc1ccc(F)cc1 ZINC000581817131 870049291 /nfs/dbraw/zinc/04/92/91/870049291.db2.gz RUESIWWODJFUHH-UHFFFAOYSA-N 1 1 384.430 3.560 50 0 GHAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000152311279 877680262 /nfs/dbraw/zinc/68/02/62/877680262.db2.gz DODDKMWCXRITSM-HXUWFJFHSA-N 1 1 396.535 3.540 50 0 GHAAMO COc1cccc2c1CN(C(=O)NC[C@@H]1CCC[N@@H+](Cc3cccs3)C1)C2 ZINC000623527193 877784660 /nfs/dbraw/zinc/78/46/60/877784660.db2.gz LPUURLJHIWSTBL-INIZCTEOSA-N 1 1 385.533 3.694 50 0 GHAAMO NC(=O)C[C@H]1CCC[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000175263547 883541649 /nfs/dbraw/zinc/54/16/49/883541649.db2.gz QOPRRHUASWUUAC-CYBMUJFWSA-N 1 1 388.924 3.804 50 0 GHAAMO Cc1cccc(OC(C)(C)C(=O)Nc2cc(C)ccc2NC(=O)C[NH+](C)C)c1 ZINC000952962625 904641090 /nfs/dbraw/zinc/64/10/90/904641090.db2.gz DXYGQZGYVKRSPX-UHFFFAOYSA-N 1 1 383.492 3.600 50 0 GHAAMO Cc1nc2ccccc2n1CCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC000952979118 904657713 /nfs/dbraw/zinc/65/77/13/904657713.db2.gz MJHFPOYKUNIFQV-FQEVSTJZSA-N 1 1 390.531 3.682 50 0 GHAAMO Cc1cc(F)ccc1N1CCC([NH+]2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000952985728 904671721 /nfs/dbraw/zinc/67/17/21/904671721.db2.gz CUKLEIXXWJTPRC-UHFFFAOYSA-N 1 1 387.524 3.622 50 0 GHAAMO O=C(c1c[nH]nc1-c1ccc(Cl)s1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000189760614 905293425 /nfs/dbraw/zinc/29/34/25/905293425.db2.gz VJNUOQKWNPVFGY-UHFFFAOYSA-N 1 1 378.929 3.882 50 0 GHAAMO O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000189760614 905293436 /nfs/dbraw/zinc/29/34/36/905293436.db2.gz VJNUOQKWNPVFGY-UHFFFAOYSA-N 1 1 378.929 3.882 50 0 GHAAMO O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000189760614 905293450 /nfs/dbraw/zinc/29/34/50/905293450.db2.gz VJNUOQKWNPVFGY-UHFFFAOYSA-N 1 1 378.929 3.882 50 0 GHAAMO CC1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccccc4)CC3)C2)CC1 ZINC000012759002 919300832 /nfs/dbraw/zinc/30/08/32/919300832.db2.gz IFTWUCQQAXRYDA-JOCHJYFZSA-N 1 1 383.580 3.622 50 0 GHAAMO COCc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](CCc4ccccc4)CC[C@@H]32)o1 ZINC000014987138 919352208 /nfs/dbraw/zinc/35/22/08/919352208.db2.gz YNLPJTYJUSSZRG-CTNGQTDRSA-N 1 1 382.504 3.595 50 0 GHAAMO Fc1ccccc1-c1cnnc(N2CCC([N@H+]3CCc4ccccc4C3)CC2)n1 ZINC000039388299 919710984 /nfs/dbraw/zinc/71/09/84/919710984.db2.gz UCSDDUOCCVJPPH-UHFFFAOYSA-N 1 1 389.478 3.705 50 0 GHAAMO Cc1cccc(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)c1 ZINC000015671316 210160410 /nfs/dbraw/zinc/16/04/10/210160410.db2.gz BXALYRQCSUONOR-UHFFFAOYSA-N 1 1 397.504 3.704 50 0 GHAAMO C/C(=C\c1ccccc1)CN1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000015066432 210147778 /nfs/dbraw/zinc/14/77/78/210147778.db2.gz UPMAOAQHLNSNCK-HCUHUEOSSA-N 1 1 381.564 3.545 50 0 GHAAMO CSc1ncc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2F)C3)cn1 ZINC000014964224 210136916 /nfs/dbraw/zinc/13/69/16/210136916.db2.gz CFJVSSVPWKHMQS-NRFANRHFSA-N 1 1 386.540 3.826 50 0 GHAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](/C=C/c3ccccc3)[N@H+]3CCC[C@@]23C1=O ZINC000014958314 210133173 /nfs/dbraw/zinc/13/31/73/210133173.db2.gz YCVDOIMAFHTHLM-TUCMPPGWSA-N 1 1 388.511 3.974 50 0 GHAAMO O=C(C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)NCCc1ccc(F)cc1 ZINC000014703360 210123052 /nfs/dbraw/zinc/12/30/52/210123052.db2.gz QTQNVBAYVCYGNJ-UHFFFAOYSA-N 1 1 398.478 3.658 50 0 GHAAMO CC[NH+](CC)CCn1c2ccccc2[nH]c1=NC(=O)c1cc2ccccc2o1 ZINC000014651367 210122297 /nfs/dbraw/zinc/12/22/97/210122297.db2.gz CIDFJGUORKIQSX-UHFFFAOYSA-N 1 1 376.460 3.799 50 0 GHAAMO C[C@@H]1C[N@@H+](C(C)(C)CNc2nc(-c3cccnc3)nc3ccccc32)C[C@H](C)O1 ZINC000014070766 210101343 /nfs/dbraw/zinc/10/13/43/210101343.db2.gz AJMSMJPUCKYWGA-CALCHBBNSA-N 1 1 391.519 3.992 50 0 GHAAMO CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012910258 210025368 /nfs/dbraw/zinc/02/53/68/210025368.db2.gz ZEEAMODWUZQDKS-HXUWFJFHSA-N 1 1 380.488 3.643 50 0 GHAAMO CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012910258 210025373 /nfs/dbraw/zinc/02/53/73/210025373.db2.gz ZEEAMODWUZQDKS-HXUWFJFHSA-N 1 1 380.488 3.643 50 0 GHAAMO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000012758237 210003468 /nfs/dbraw/zinc/00/34/68/210003468.db2.gz LXKJLXRGLOWAKI-AWEZNQCLSA-N 1 1 391.874 3.569 50 0 GHAAMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000012758237 210003473 /nfs/dbraw/zinc/00/34/73/210003473.db2.gz LXKJLXRGLOWAKI-AWEZNQCLSA-N 1 1 391.874 3.569 50 0 GHAAMO C[NH+](C)[C@H](CNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccco1 ZINC000012749315 210002119 /nfs/dbraw/zinc/00/21/19/210002119.db2.gz RHZQTJRVAWLXKK-LJQANCHMSA-N 1 1 377.444 3.565 50 0 GHAAMO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000012752203 210000399 /nfs/dbraw/zinc/00/03/99/210000399.db2.gz WFQBMTQFUFWBPJ-CYBMUJFWSA-N 1 1 398.334 3.655 50 0 GHAAMO O[C@H](COc1c(F)cc(Br)cc1F)C[N@H+]1CCc2ccccc2C1 ZINC000002841888 209390134 /nfs/dbraw/zinc/39/01/34/209390134.db2.gz DJTSRFHJMSSTSS-HNNXBMFYSA-N 1 1 398.247 3.525 50 0 GHAAMO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000002309871 209355750 /nfs/dbraw/zinc/35/57/50/209355750.db2.gz WAUKQBSIVYNPOP-MJBXVCDLSA-N 1 1 389.471 3.789 50 0 GHAAMO CC[N@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccccc2C)C1=O ZINC000002198333 209349635 /nfs/dbraw/zinc/34/96/35/209349635.db2.gz BZULJISVOWCXJN-WKSXIXGESA-N 1 1 389.499 3.597 50 0 GHAAMO Fc1cc(Br)cc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000095980437 209239584 /nfs/dbraw/zinc/23/95/84/209239584.db2.gz QBHMDNONGWGILB-ZDUSSCGKSA-N 1 1 379.277 3.963 50 0 GHAAMO Fc1cc(Br)cc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000095980437 209239588 /nfs/dbraw/zinc/23/95/88/209239588.db2.gz QBHMDNONGWGILB-ZDUSSCGKSA-N 1 1 379.277 3.963 50 0 GHAAMO COCCn1cc(CC(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000253405871 209218611 /nfs/dbraw/zinc/21/86/11/209218611.db2.gz INMVCFMZYOBJNZ-SIKLNZKXSA-N 1 1 397.563 3.553 50 0 biogenic GHAAMO C[C@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000225324492 209187976 /nfs/dbraw/zinc/18/79/76/209187976.db2.gz ALKRDWAKXJZOFO-XADOIVSYSA-N 1 1 384.545 3.828 50 0 GHAAMO COC(=O)c1ccc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1Cl ZINC000299768356 212033756 /nfs/dbraw/zinc/03/37/56/212033756.db2.gz UHCAQSQZLNTKMZ-UHFFFAOYSA-N 1 1 379.888 3.609 50 0 GHAAMO Cc1[nH+]ccn1CC1(CNC(=O)Nc2cc3c(C)cc(=O)oc3cc2C)CC1 ZINC000097492427 211365534 /nfs/dbraw/zinc/36/55/34/211365534.db2.gz QZTCCEBPRQJROF-UHFFFAOYSA-N 1 1 380.448 3.517 50 0 GHAAMO COc1ccccc1NC(=O)c1[nH]c2cc(C)sc2c1C[NH+]1CCOCC1 ZINC000096363795 211336365 /nfs/dbraw/zinc/33/63/65/211336365.db2.gz WHKBSAHMODEGAJ-UHFFFAOYSA-N 1 1 385.489 3.631 50 0 GHAAMO CCCc1cc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C)C3)n(C)n1 ZINC000096180057 211316567 /nfs/dbraw/zinc/31/65/67/211316567.db2.gz CYAUEUAPGKKTKR-FQEVSTJZSA-N 1 1 394.563 3.714 50 0 GHAAMO C[NH+](C)CCCn1cnc2cc(NC(=O)c3cc(-c4cccs4)n[nH]3)ccc21 ZINC000096231179 211321292 /nfs/dbraw/zinc/32/12/92/211321292.db2.gz JKBXATQHJMCLSK-UHFFFAOYSA-N 1 1 394.504 3.692 50 0 GHAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(c1noc(-c3ccccc3)n1)CC2 ZINC000095509911 211259949 /nfs/dbraw/zinc/25/99/49/211259949.db2.gz MVJXJMAPTGRAED-UHFFFAOYSA-N 1 1 392.507 3.614 50 0 GHAAMO O=C(Nc1c[nH+]ccc1-n1cccn1)c1cc(Br)ccc1Cl ZINC000095394720 211239244 /nfs/dbraw/zinc/23/92/44/211239244.db2.gz QMQYJASSXBBNBK-UHFFFAOYSA-N 1 1 377.629 3.936 50 0 GHAAMO C[N@H+]1CCCC12CCN(C(=O)c1cnn(-c3ccc(Cl)cc3Cl)c1)CC2 ZINC000095464780 211246221 /nfs/dbraw/zinc/24/62/21/211246221.db2.gz PDEBHTWEYPGOLN-UHFFFAOYSA-N 1 1 393.318 3.880 50 0 GHAAMO CC(=O)Nc1cc(C(=O)O[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000095468928 211246341 /nfs/dbraw/zinc/24/63/41/211246341.db2.gz HDJRRJKUABLNOA-BEFAXECRSA-N 1 1 384.451 3.852 50 0 GHAAMO CC(=O)c1ccc(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(F)c1 ZINC000095464467 211244240 /nfs/dbraw/zinc/24/42/40/211244240.db2.gz GVLGBKHVKULRSH-IYBDPMFKSA-N 1 1 398.478 3.568 50 0 GHAAMO CC(C)c1nccc(C2CC[NH+]([C@H](C)C(=O)Nc3ccnn3C(C)C)CC2)n1 ZINC000089893781 211185208 /nfs/dbraw/zinc/18/52/08/211185208.db2.gz DOIUVDYOUCFXND-MRXNPFEDSA-N 1 1 384.528 3.584 50 0 GHAAMO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCN1C[C@H](C)C[C@@H](C)C1 ZINC000089520888 211181128 /nfs/dbraw/zinc/18/11/28/211181128.db2.gz KVYGIGYLQLVEQX-HUUCEWRRSA-N 1 1 376.495 3.835 50 0 GHAAMO CCCc1nn(-c2cccc(C)c2)c(CCC)c1C(=O)N1CC[NH+](CC)CC1 ZINC000085705791 211177338 /nfs/dbraw/zinc/17/73/38/211177338.db2.gz LWMHHLZGLBACSL-UHFFFAOYSA-N 1 1 382.552 3.863 50 0 GHAAMO Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)o1 ZINC000089526074 211182180 /nfs/dbraw/zinc/18/21/80/211182180.db2.gz YESZTMWXXSWVNE-ROUUACIJSA-N 1 1 393.491 3.759 50 0 GHAAMO CC(C)n1cc(C[N@H+](C)Cc2ccccc2-c2nc3c(c(=O)[nH]2)CCCC3)cn1 ZINC000082039345 211159785 /nfs/dbraw/zinc/15/97/85/211159785.db2.gz CCLMPQVTZJCHRE-UHFFFAOYSA-N 1 1 391.519 3.725 50 0 GHAAMO CC(C)n1cc(C[N@@H+](C)Cc2ccccc2-c2nc3c(c(=O)[nH]2)CCCC3)cn1 ZINC000082039345 211159787 /nfs/dbraw/zinc/15/97/87/211159787.db2.gz CCLMPQVTZJCHRE-UHFFFAOYSA-N 1 1 391.519 3.725 50 0 GHAAMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc3nc(-c4ccccc4)cn3c2)C1 ZINC000082138997 211162465 /nfs/dbraw/zinc/16/24/65/211162465.db2.gz GJRQUOSJGTVWGF-SFHVURJKSA-N 1 1 376.504 3.709 50 0 GHAAMO O=C(C[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1)N1CCC(F)CC1 ZINC000072409346 211114733 /nfs/dbraw/zinc/11/47/33/211114733.db2.gz KVYURHNHGQYQET-HSZRJFAPSA-N 1 1 396.506 3.905 50 0 GHAAMO O=C(C[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccccc2)cc1)N1CCC(F)CC1 ZINC000072409346 211114737 /nfs/dbraw/zinc/11/47/37/211114737.db2.gz KVYURHNHGQYQET-HSZRJFAPSA-N 1 1 396.506 3.905 50 0 GHAAMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(OC(F)F)c3)C2)nc1 ZINC000072308194 211087616 /nfs/dbraw/zinc/08/76/16/211087616.db2.gz XPILXJAUTYRREV-INIZCTEOSA-N 1 1 375.419 3.842 50 0 GHAAMO COc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)ccn1 ZINC000072165249 211080875 /nfs/dbraw/zinc/08/08/75/211080875.db2.gz UAYICBVLJZPCAV-FQEVSTJZSA-N 1 1 385.483 3.602 50 0 GHAAMO CC(C)[C@H]1C[N@H+](Cc2cncn2C(C)C)CCC(=O)N1Cc1ccc(F)cc1 ZINC000072166021 211079371 /nfs/dbraw/zinc/07/93/71/211079371.db2.gz AHYIIUKRSUDGKC-OAQYLSRUSA-N 1 1 386.515 3.862 50 0 GHAAMO CC(C)[C@H]1C[N@@H+](Cc2cncn2C(C)C)CCC(=O)N1Cc1ccc(F)cc1 ZINC000072166021 211079374 /nfs/dbraw/zinc/07/93/74/211079374.db2.gz AHYIIUKRSUDGKC-OAQYLSRUSA-N 1 1 386.515 3.862 50 0 GHAAMO Cc1nnnn1CCC[N@H+]1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000072121098 211071668 /nfs/dbraw/zinc/07/16/68/211071668.db2.gz QMZPBIDLPPOYST-KRWDZBQOSA-N 1 1 381.446 3.735 50 0 GHAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3cc4ccccc4o3)CC2)C1)N1CCCC1 ZINC000071746704 211054652 /nfs/dbraw/zinc/05/46/52/211054652.db2.gz CWMUYWXLRQYXFC-FQEVSTJZSA-N 1 1 395.547 3.732 50 0 GHAAMO CC(C)[C@H]1CN(C(=O)c2n[nH]cc2Cl)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071752891 211056223 /nfs/dbraw/zinc/05/62/23/211056223.db2.gz QHTDAIAUVODYHA-QGZVFWFLSA-N 1 1 378.879 3.575 50 0 GHAAMO CC(C)[C@@H]1CN(C(=O)CCCc2cn[nH]c2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071479438 211049025 /nfs/dbraw/zinc/04/90/25/211049025.db2.gz VDPTVTJOUJQSFV-NRFANRHFSA-N 1 1 386.515 3.631 50 0 GHAAMO CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000069597258 211039195 /nfs/dbraw/zinc/03/91/95/211039195.db2.gz XLGMAKFXAOFTML-ICSRJNTNSA-N 1 1 380.536 3.621 50 0 GHAAMO CC(C)c1ccc(CN2CCC[C@@](O)(C[N@@H+](C)Cc3ccsc3)C2=O)cc1 ZINC000067881541 211026888 /nfs/dbraw/zinc/02/68/88/211026888.db2.gz PPEVKZHMJFYDEV-JOCHJYFZSA-N 1 1 386.561 3.857 50 0 GHAAMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067649723 211015207 /nfs/dbraw/zinc/01/52/07/211015207.db2.gz OBFRMHWNOZZLHW-INIZCTEOSA-N 1 1 386.499 3.769 50 0 GHAAMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067649723 211015213 /nfs/dbraw/zinc/01/52/13/211015213.db2.gz OBFRMHWNOZZLHW-INIZCTEOSA-N 1 1 386.499 3.769 50 0 GHAAMO Fc1cccc(-c2n[nH]c3c2C[N@H+](Cc2cnc(-c4ccco4)nc2)CC3)c1 ZINC000020997196 210372977 /nfs/dbraw/zinc/37/29/77/210372977.db2.gz AMJFDMPARMUICO-UHFFFAOYSA-N 1 1 375.407 3.824 50 0 GHAAMO Fc1cccc(-c2n[nH]c3c2C[N@@H+](Cc2cnc(-c4ccco4)nc2)CC3)c1 ZINC000020997196 210372981 /nfs/dbraw/zinc/37/29/81/210372981.db2.gz AMJFDMPARMUICO-UHFFFAOYSA-N 1 1 375.407 3.824 50 0 GHAAMO Cc1ccccc1C[N@H+]1CCN(Cc2ccc3ncccc3c2)C[C@@H]1CCO ZINC000020539085 210345824 /nfs/dbraw/zinc/34/58/24/210345824.db2.gz IKSRIHGBUQLPDH-QHCPKHFHSA-N 1 1 375.516 3.612 50 0 GHAAMO Cc1ccccc1CN1CC[N@H+](Cc2ccc3ncccc3c2)C[C@@H]1CCO ZINC000020539085 210345826 /nfs/dbraw/zinc/34/58/26/210345826.db2.gz IKSRIHGBUQLPDH-QHCPKHFHSA-N 1 1 375.516 3.612 50 0 GHAAMO Cc1ccccc1CN1CC[N@@H+](Cc2ccc3ncccc3c2)C[C@@H]1CCO ZINC000020539085 210345828 /nfs/dbraw/zinc/34/58/28/210345828.db2.gz IKSRIHGBUQLPDH-QHCPKHFHSA-N 1 1 375.516 3.612 50 0 GHAAMO Fc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3c(F)cccc3F)C2)CC1 ZINC000020536541 210345890 /nfs/dbraw/zinc/34/58/90/210345890.db2.gz YKWHFRURSCTLOK-QGZVFWFLSA-N 1 1 389.465 3.891 50 0 GHAAMO CC(C)Oc1ccc(CN[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1CO ZINC000020536785 210345907 /nfs/dbraw/zinc/34/59/07/210345907.db2.gz XIACYTWWKANMKR-HSZRJFAPSA-N 1 1 394.559 3.688 50 0 GHAAMO CC(C)Oc1ccc(CN[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1CO ZINC000020536785 210345912 /nfs/dbraw/zinc/34/59/12/210345912.db2.gz XIACYTWWKANMKR-HSZRJFAPSA-N 1 1 394.559 3.688 50 0 GHAAMO C[N@H+](Cc1ccc(-c2nc3c(c(=O)[nH]2)CCCCC3)cc1)CC1CCOCC1 ZINC000020542598 210345317 /nfs/dbraw/zinc/34/53/17/210345317.db2.gz BKZXTYZQNYLSDR-UHFFFAOYSA-N 1 1 381.520 3.564 50 0 GHAAMO O=C(/C=C/c1ccc(OC(F)(F)F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019833791 210302278 /nfs/dbraw/zinc/30/22/78/210302278.db2.gz DLODEBNBNVYEOV-DHZHZOJOSA-N 1 1 390.405 3.943 50 0 GHAAMO C[NH+]1CCN(CC(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)CC1 ZINC000019925475 210306235 /nfs/dbraw/zinc/30/62/35/210306235.db2.gz ABWVZIKPCCNRGU-RUZDIDTESA-N 1 1 391.559 3.755 50 0 GHAAMO COc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000019781739 210296009 /nfs/dbraw/zinc/29/60/09/210296009.db2.gz YABICQDRRYOTFT-UHFFFAOYSA-N 1 1 375.310 3.776 50 0 GHAAMO COc1cccc(-c2ncc(C[N@@H+]3CC[C@]4(OC)CC[C@@H](OC)C[C@H]34)s2)c1 ZINC000426545217 533375756 /nfs/dbraw/zinc/37/57/56/533375756.db2.gz VEDAFEXCOJMYQE-SLYNCCJLSA-N 1 1 388.533 3.977 50 0 GHAAMO COc1ccc(C[N@H+]2CC[C@]3(OC)CC[C@H](Oc4ccccn4)C[C@H]23)c(F)c1 ZINC000426541214 533570427 /nfs/dbraw/zinc/57/04/27/533570427.db2.gz GKTFONCRXCGCRM-RCZSKKKRSA-N 1 1 386.467 3.820 50 0 GHAAMO CCc1cc(N2CCC[C@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)nc(C)n1 ZINC000072165497 136167335 /nfs/dbraw/zinc/16/73/35/136167335.db2.gz TVBMWXXUXHWSBT-FQEVSTJZSA-N 1 1 398.551 3.508 50 0 GHAAMO Cc1ccc2nc(N3CCC[C@@H](O)C3)c(C[N@H+](C)Cc3ccnc(C)c3)cc2c1 ZINC000072421795 136169774 /nfs/dbraw/zinc/16/97/74/136169774.db2.gz ZJJSNYMLYDWUHG-JOCHJYFZSA-N 1 1 390.531 3.840 50 0 GHAAMO Cc1ccc2nc(N3CCC[C@@H](O)C3)c(C[N@@H+](C)Cc3ccnc(C)c3)cc2c1 ZINC000072421795 136169775 /nfs/dbraw/zinc/16/97/75/136169775.db2.gz ZJJSNYMLYDWUHG-JOCHJYFZSA-N 1 1 390.531 3.840 50 0 GHAAMO CCCCSc1nc(N2CCC[C@H](c3nc(C(C)C)no3)C2)cc(N)[nH+]1 ZINC000095365434 136178322 /nfs/dbraw/zinc/17/83/22/136178322.db2.gz SUIQXQKYAZTIMB-ZDUSSCGKSA-N 1 1 376.530 3.841 50 0 GHAAMO CCCCSc1nc(N)cc(N2CCC[C@H](c3nc(C(C)C)no3)C2)[nH+]1 ZINC000095365434 136178323 /nfs/dbraw/zinc/17/83/23/136178323.db2.gz SUIQXQKYAZTIMB-ZDUSSCGKSA-N 1 1 376.530 3.841 50 0 GHAAMO CCCc1nc(C)cc(N2CCC([NH2+]Cc3nc4cccc(C)c4[nH]3)CC2)n1 ZINC000095524298 136181357 /nfs/dbraw/zinc/18/13/57/136181357.db2.gz RSWGSGRTMHKRCK-UHFFFAOYSA-N 1 1 378.524 3.681 50 0 GHAAMO CC(C)c1ccc(CN2CCC[C@@]3(CC[N@@H+](CCc4cn[nH]c4)C3)C2=O)cc1 ZINC000426358302 528093470 /nfs/dbraw/zinc/09/34/70/528093470.db2.gz LAMQGSLNNJNKSY-QHCPKHFHSA-N 1 1 380.536 3.590 50 0 GHAAMO CCCN(C(=O)/C=C\c1ccc(C)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000221766527 535185187 /nfs/dbraw/zinc/18/51/87/535185187.db2.gz UUJXHAHRCNHSQB-HJWRWDBZSA-N 1 1 382.508 3.916 50 0 GHAAMO CCCc1cnc(C)nc1N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095524492 535436412 /nfs/dbraw/zinc/43/64/12/535436412.db2.gz MABMEXOGFCZAQN-QGZVFWFLSA-N 1 1 382.537 3.823 50 0 GHAAMO CCc1c(C)nc(C)nc1N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000095518296 536070549 /nfs/dbraw/zinc/07/05/49/536070549.db2.gz RSDPFAGXHYZOCG-UHFFFAOYSA-N 1 1 376.508 3.680 50 0 GHAAMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)CCCc2ccccc2)C[C@@H](C)O1 ZINC000048358227 570243223 /nfs/dbraw/zinc/24/32/23/570243223.db2.gz LSLWCZOSXVAVIC-WOJBJXKFSA-N 1 1 380.532 3.935 50 0 GHAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1cccc(Cl)c1Cl ZINC000019881504 570254794 /nfs/dbraw/zinc/25/47/94/570254794.db2.gz BBEMZVILOZNKEA-UHFFFAOYSA-N 1 1 378.303 3.750 50 0 GHAAMO CCCC[N@@H+](CCNC(=O)Nc1cn(C)c(=O)c2ccccc12)Cc1ccco1 ZINC000006724918 570281608 /nfs/dbraw/zinc/28/16/08/570281608.db2.gz ZRUQYOXHJPDJME-UHFFFAOYSA-N 1 1 396.491 3.555 50 0 GHAAMO Cc1csc2nc(C[N@@H+]3CC=C(c4c[nH]c5ccccc54)CC3)cc(=O)n12 ZINC000012900710 570287985 /nfs/dbraw/zinc/28/79/85/570287985.db2.gz QYPKUCSZANVFSU-UHFFFAOYSA-N 1 1 376.485 3.835 50 0 GHAAMO CC[C@@H](C)NC(=O)c1ccc(C[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000034668499 570292951 /nfs/dbraw/zinc/29/29/51/570292951.db2.gz ZVTLMZBYWPBIJJ-GOSISDBHSA-N 1 1 381.520 3.546 50 0 GHAAMO CC(C)c1ccc(NC(=O)[C@@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C(C)C)cc1 ZINC000035374838 570345465 /nfs/dbraw/zinc/34/54/65/570345465.db2.gz MKJNKRVPLAQUIO-VXKWHMMOSA-N 1 1 393.531 3.604 50 0 GHAAMO CCCC[N@@H+](C)CCNC(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O ZINC000004939194 570375277 /nfs/dbraw/zinc/37/52/77/570375277.db2.gz GCHONONYAQDMSW-UHFFFAOYSA-N 1 1 385.533 3.698 50 0 GHAAMO Cc1ccc2oc(=O)c3cc(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)sc3c2c1 ZINC000004939773 570376374 /nfs/dbraw/zinc/37/63/74/570376374.db2.gz WRELQGVUAZXTHT-AWEZNQCLSA-N 1 1 384.501 3.920 50 0 GHAAMO Cc1ncccc1C[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000237616652 570383617 /nfs/dbraw/zinc/38/36/17/570383617.db2.gz IGEDCYKYNOVQTH-GOSISDBHSA-N 1 1 377.410 3.862 50 0 GHAAMO O=C(NC1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1)c1ccccc1 ZINC000024815819 570393853 /nfs/dbraw/zinc/39/38/53/570393853.db2.gz FTYOSODHZUSDIV-UHFFFAOYSA-N 1 1 379.435 3.875 50 0 GHAAMO C[N@@H+](CCC(=O)Nc1cccc2ccccc21)C[C@@H]1COc2ccccc2O1 ZINC000026922348 570429856 /nfs/dbraw/zinc/42/98/56/570429856.db2.gz WYOIFTLSYLNPCV-GOSISDBHSA-N 1 1 376.456 3.940 50 0 GHAAMO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000242196987 570432203 /nfs/dbraw/zinc/43/22/03/570432203.db2.gz XGSGUGPHXIYIAM-FTRWYGJKSA-N 1 1 398.478 4.000 50 0 GHAAMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000242196987 570432205 /nfs/dbraw/zinc/43/22/05/570432205.db2.gz XGSGUGPHXIYIAM-FTRWYGJKSA-N 1 1 398.478 4.000 50 0 GHAAMO Cc1ccc2c(=O)cc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)oc2c1 ZINC000028291283 570456181 /nfs/dbraw/zinc/45/61/81/570456181.db2.gz LSGCSDZPJTXHPK-MRXNPFEDSA-N 1 1 382.485 3.730 50 0 GHAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)C1(c2ccc(Br)cc2)CC1 ZINC000030317529 570488558 /nfs/dbraw/zinc/48/85/58/570488558.db2.gz SBNVUTYWDUFXGE-UHFFFAOYSA-N 1 1 399.332 3.655 50 0 GHAAMO COc1ccc(C(=O)Nc2ccc3c(c2)nc(CCn2cc[nH+]c2C)n3C)cc1 ZINC000006665141 570526759 /nfs/dbraw/zinc/52/67/59/570526759.db2.gz KSVMQQUFCIQWST-UHFFFAOYSA-N 1 1 389.459 3.582 50 0 GHAAMO CC(C)COC[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036103152 570539968 /nfs/dbraw/zinc/53/99/68/570539968.db2.gz OVQAKRJUVVVGAG-LJQANCHMSA-N 1 1 389.467 3.590 50 0 GHAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036103152 570539972 /nfs/dbraw/zinc/53/99/72/570539972.db2.gz OVQAKRJUVVVGAG-LJQANCHMSA-N 1 1 389.467 3.590 50 0 GHAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1cccs1)Cc1ccc2c(c1)OCO2 ZINC000036103478 570540001 /nfs/dbraw/zinc/54/00/01/570540001.db2.gz CJFNVOVCKDEBGR-KRWDZBQOSA-N 1 1 377.506 3.513 50 0 GHAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1cccs1)Cc1ccc2c(c1)OCO2 ZINC000036103476 570540186 /nfs/dbraw/zinc/54/01/86/570540186.db2.gz CJFNVOVCKDEBGR-QGZVFWFLSA-N 1 1 377.506 3.513 50 0 GHAAMO Cc1cc(=O)n2c(n1)NC(NCc1ccc(Cl)cc1)=[NH+][C@@H]2[C@@H]1CC=CCC1 ZINC000009698403 570560527 /nfs/dbraw/zinc/56/05/27/570560527.db2.gz QPTNASMQKBVINM-QAPCUYQASA-N 1 1 383.883 3.631 50 0 GHAAMO COc1ccccc1[C@H](CNC(=O)c1c2c(nc3ccccc31)CCC2)[NH+](C)C ZINC000032983086 570571600 /nfs/dbraw/zinc/57/16/00/570571600.db2.gz LGARSTKSWWFRTO-NRFANRHFSA-N 1 1 389.499 3.765 50 0 GHAAMO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1Cl ZINC000225438075 570574167 /nfs/dbraw/zinc/57/41/67/570574167.db2.gz NTKFNUQBGVJZMV-HNNXBMFYSA-N 1 1 379.932 3.625 50 0 GHAAMO OC[C@]1(Cc2ccc(F)cc2)CCC[N@@H+](Cc2cnn(-c3ccccc3F)c2)C1 ZINC000011812891 570582915 /nfs/dbraw/zinc/58/29/15/570582915.db2.gz CMFOUJMVEXPYGB-QHCPKHFHSA-N 1 1 397.469 3.968 50 0 GHAAMO Cn1cc(CN[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c(-c2ccccc2)n1 ZINC000039454899 570592085 /nfs/dbraw/zinc/59/20/85/570592085.db2.gz BWGODRZQMSIXPJ-QHCPKHFHSA-N 1 1 386.543 3.809 50 0 GHAAMO Cn1cc(CN[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c(-c2ccccc2)n1 ZINC000039454899 570592089 /nfs/dbraw/zinc/59/20/89/570592089.db2.gz BWGODRZQMSIXPJ-QHCPKHFHSA-N 1 1 386.543 3.809 50 0 GHAAMO C[N@@H+](CCc1ccccn1)[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000011936948 570594811 /nfs/dbraw/zinc/59/48/11/570594811.db2.gz TWCJNFXXLZCQPR-IBGZPJMESA-N 1 1 391.437 3.880 50 0 GHAAMO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2cnn(C(C)C)c2)C1 ZINC000011947001 570595033 /nfs/dbraw/zinc/59/50/33/570595033.db2.gz TXZRZMNDWSHJAA-HSZRJFAPSA-N 1 1 399.535 3.861 50 0 GHAAMO CC[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@H]2c2ccccc2)Cc2cc(OC)ccc2O1 ZINC000011974628 570596796 /nfs/dbraw/zinc/59/67/96/570596796.db2.gz FRIKDGYWVOKTJL-BAGYTPMASA-N 1 1 394.515 3.588 50 0 GHAAMO CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@H]2c2ccccc2)Cc2cc(OC)ccc2O1 ZINC000011974628 570596800 /nfs/dbraw/zinc/59/68/00/570596800.db2.gz FRIKDGYWVOKTJL-BAGYTPMASA-N 1 1 394.515 3.588 50 0 GHAAMO CSCCC[N@H+]1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000012090545 570607202 /nfs/dbraw/zinc/60/72/02/570607202.db2.gz QOUOAKQGLXZCLK-INIZCTEOSA-N 1 1 380.985 3.953 50 0 GHAAMO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1)c1ccc(Cl)cc1Cl ZINC000225736339 570611214 /nfs/dbraw/zinc/61/12/14/570611214.db2.gz VAQGBFRUJJAFOO-CZUORRHYSA-N 1 1 394.302 3.719 50 0 GHAAMO CCCC[C@@H]1C[N@@H+](CCC(=O)NCc2ncccc2C)Cc2ccccc2O1 ZINC000012247492 570630984 /nfs/dbraw/zinc/63/09/84/570630984.db2.gz QBNKCCBKVCVTFZ-HXUWFJFHSA-N 1 1 381.520 3.850 50 0 GHAAMO COCc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)s1 ZINC000012299395 570635135 /nfs/dbraw/zinc/63/51/35/570635135.db2.gz SKTMTGSXBWFCJR-SFHVURJKSA-N 1 1 384.545 3.598 50 0 GHAAMO COCc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)s1 ZINC000012299394 570635379 /nfs/dbraw/zinc/63/53/79/570635379.db2.gz SKTMTGSXBWFCJR-GOSISDBHSA-N 1 1 384.545 3.598 50 0 GHAAMO Cc1ncoc1C(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000012315195 570640617 /nfs/dbraw/zinc/64/06/17/570640617.db2.gz GIEHANARPXJPGU-KRWDZBQOSA-N 1 1 375.900 3.663 50 0 GHAAMO O=C(/C=C/c1cccnc1)N1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000012317984 570642190 /nfs/dbraw/zinc/64/21/90/570642190.db2.gz XSNWCIGVKMCQAG-HBRDYDSTSA-N 1 1 375.516 3.652 50 0 GHAAMO CCOC(=O)[C@]1(CCOC)CCC[N@@H+](Cc2c(C)cc(C)cc2-n2cccn2)C1 ZINC000012588339 570686182 /nfs/dbraw/zinc/68/61/82/570686182.db2.gz IGRBYIJKXAWJFW-QHCPKHFHSA-N 1 1 399.535 3.671 50 0 GHAAMO O=C([C@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000055393299 570694436 /nfs/dbraw/zinc/69/44/36/570694436.db2.gz JPTSYFVCSMOKEV-HNNXBMFYSA-N 1 1 381.451 3.697 50 0 GHAAMO CSc1ncc(C[NH+]2CCC(CO)(Cc3ccccc3Cl)CC2)cn1 ZINC000012704089 570699597 /nfs/dbraw/zinc/69/95/97/570699597.db2.gz AHYAPQMFYJCWRW-UHFFFAOYSA-N 1 1 377.941 3.669 50 0 GHAAMO COC(=O)c1ccccc1NC(=O)N1CCC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000012718610 570705795 /nfs/dbraw/zinc/70/57/95/570705795.db2.gz JQCWDFOWSVSTKU-IBGZPJMESA-N 1 1 395.503 3.644 50 0 GHAAMO O=C(c1ncoc1C1CC1)N1CC[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000012746105 570708517 /nfs/dbraw/zinc/70/85/17/570708517.db2.gz GDGJPVQZEPNACY-QHCPKHFHSA-N 1 1 379.504 3.723 50 0 GHAAMO Cc1ccc(-c2noc(C3CC[NH+](CC(=O)NC4CCCCC4)CC3)n2)cc1 ZINC000065184219 570723095 /nfs/dbraw/zinc/72/30/95/570723095.db2.gz GCPOQPIOKQDGBZ-UHFFFAOYSA-N 1 1 382.508 3.673 50 0 GHAAMO COc1ccc(CCCC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000058307245 570726041 /nfs/dbraw/zinc/72/60/41/570726041.db2.gz MNHCARGUPJTTSO-UHFFFAOYSA-N 1 1 380.532 3.971 50 0 GHAAMO O=C(C[N@H+]1CCC[C@@H]1Cc1ccccc1)NCC1(c2ccccc2)CCOCC1 ZINC000052489226 570750662 /nfs/dbraw/zinc/75/06/62/570750662.db2.gz AVFOYKPNVRDHHV-HSZRJFAPSA-N 1 1 392.543 3.558 50 0 GHAAMO Cc1noc2nc(C3CC3)cc(C(=O)N3CC[NH+](Cc4ccc(C)cc4)CC3)c12 ZINC000036613713 570757547 /nfs/dbraw/zinc/75/75/47/570757547.db2.gz IATPPRDERIXLHO-UHFFFAOYSA-N 1 1 390.487 3.675 50 0 GHAAMO c1ncn(-c2ccc(C[N@H+]3CC[C@@H](c4ccnc(-c5ccncc5)c4)C3)cc2)n1 ZINC000065370901 570761430 /nfs/dbraw/zinc/76/14/30/570761430.db2.gz LBHOVFUCHZCMLB-OAQYLSRUSA-N 1 1 382.471 3.714 50 0 GHAAMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C(=O)Nc3cc(C)nn3C)cc2)on1 ZINC000065370040 570761726 /nfs/dbraw/zinc/76/17/26/570761726.db2.gz FCUUMUAICQOTBH-GOSISDBHSA-N 1 1 379.464 3.614 50 0 GHAAMO C[N@@H+](CCCNC(=O)C1CCN(c2nc3ccccc3[nH]2)CC1)C1CCCCC1 ZINC000033071025 570802540 /nfs/dbraw/zinc/80/25/40/570802540.db2.gz VJRJCWNFIWSSLP-UHFFFAOYSA-N 1 1 397.567 3.550 50 0 GHAAMO Cc1ccc(NC(=O)c2nc3ccccc3nc2N2CC[NH+](C)CC2)cc1Cl ZINC000033086041 570808119 /nfs/dbraw/zinc/80/81/19/570808119.db2.gz PCZLXXBFEZBQLP-UHFFFAOYSA-N 1 1 395.894 3.596 50 0 GHAAMO COc1ccc(OC)c(CCC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)c1 ZINC000032827631 570840693 /nfs/dbraw/zinc/84/06/93/570840693.db2.gz ZEXYYFCYWCKXJH-UHFFFAOYSA-N 1 1 396.531 3.679 50 0 GHAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=S)Nc2ccccc2)CC1 ZINC000022457009 570896413 /nfs/dbraw/zinc/89/64/13/570896413.db2.gz KRADHUQCGOYLCW-APWZRJJASA-N 1 1 388.606 3.802 50 0 GHAAMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cnc4ccccn34)C2)cc1 ZINC000157916734 570914316 /nfs/dbraw/zinc/91/43/16/570914316.db2.gz SVFQDXFRPJLAFS-GOSISDBHSA-N 1 1 377.492 3.676 50 0 GHAAMO O=C(C[N@H+]1CCC[C@@H]2CCCC[C@@H]21)Nc1ccccc1C(=O)NC1CCCC1 ZINC000007587943 570949426 /nfs/dbraw/zinc/94/94/26/570949426.db2.gz RHUHXIQOBMIQAH-UWJYYQICSA-N 1 1 383.536 3.952 50 0 GHAAMO O=C(c1ccc(NC2CC2)nc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000107525656 570975116 /nfs/dbraw/zinc/97/51/16/570975116.db2.gz HISYKSQYVAGOGF-RBBKRZOGSA-N 1 1 390.531 3.783 50 0 GHAAMO CC[C@](CO)([NH2+]Cc1ccccc1I)c1ccccc1 ZINC000078823090 836043342 /nfs/dbraw/zinc/04/33/42/836043342.db2.gz JYFKAEJYRYTDMK-QGZVFWFLSA-N 1 1 381.257 3.679 50 0 GHAAMO O=C(Cc1ccccc1F)Nc1ccc2c(c1)C[N@H+](CCCn1cccn1)CC2 ZINC000023338096 836647789 /nfs/dbraw/zinc/64/77/89/836647789.db2.gz MERQFPLSWDEVMH-UHFFFAOYSA-N 1 1 392.478 3.652 50 0 GHAAMO CN1CCC([N@H+]2CCC[C@H](NC(=O)c3ccccc3-c3ccc(F)cc3)C2)CC1 ZINC000023337998 836648154 /nfs/dbraw/zinc/64/81/54/836648154.db2.gz IGHJZPQRDMXRGY-FQEVSTJZSA-N 1 1 395.522 3.781 50 0 GHAAMO C[NH+]1CCC(N2CCC[C@H](NC(=O)c3ccccc3-c3ccc(F)cc3)C2)CC1 ZINC000023337998 836648158 /nfs/dbraw/zinc/64/81/58/836648158.db2.gz IGHJZPQRDMXRGY-FQEVSTJZSA-N 1 1 395.522 3.781 50 0 GHAAMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)C1 ZINC000177870381 837316944 /nfs/dbraw/zinc/31/69/44/837316944.db2.gz JJEYNPSJJRDVPU-HNNXBMFYSA-N 1 1 385.474 3.966 50 0 GHAAMO CC(C)c1ccc(CCNC(=O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186625748 837334604 /nfs/dbraw/zinc/33/46/04/837334604.db2.gz RXIKYOFYFNESIE-XMMPIXPASA-N 1 1 378.516 3.600 50 0 GHAAMO CC(C)c1ccc(CCNC(=O)C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186625748 837334611 /nfs/dbraw/zinc/33/46/11/837334611.db2.gz RXIKYOFYFNESIE-XMMPIXPASA-N 1 1 378.516 3.600 50 0 GHAAMO O[C@]1(c2ccccn2)CCOC2(CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)C1 ZINC000257177124 838724584 /nfs/dbraw/zinc/72/45/84/838724584.db2.gz VWQVYOHTAHDDCJ-OAQYLSRUSA-N 1 1 390.886 3.907 50 0 GHAAMO Cc1cc(C[N@H+]2CCCCCCn3c(nnc3-c3ccc(F)cc3)CC2)n(C)n1 ZINC000257188571 838929979 /nfs/dbraw/zinc/92/99/79/838929979.db2.gz MXBFUAQYYYUGAO-UHFFFAOYSA-N 1 1 396.514 3.745 50 0 GHAAMO O[C@H]1[C@H]([N@@H+]2CC=CCC2)c2ccccc2C12CC[NH+](Cc1ccsc1)CC2 ZINC000020513592 839942916 /nfs/dbraw/zinc/94/29/16/839942916.db2.gz KPNMICOOACMEOT-YADHBBJMSA-N 1 1 380.557 3.959 50 0 GHAAMO O=C(NCCc1cccs1)[C@@H]1OCC[N@@H+](C2CCCC2)[C@H]1c1ccccc1 ZINC000675011122 840847812 /nfs/dbraw/zinc/84/78/12/840847812.db2.gz OOFHVTCOGLXPHQ-LEWJYISDSA-N 1 1 384.545 3.792 50 0 GHAAMO c1cc2cc(C[N@@H+]3CC[C@H](n4cc(COCc5ccccc5)nn4)C3)ccc2[nH]1 ZINC000675010005 840852392 /nfs/dbraw/zinc/85/23/92/840852392.db2.gz DCLPXHKUHMJKKQ-QFIPXVFZSA-N 1 1 387.487 3.923 50 0 GHAAMO Cc1ccccc1C[N@H+]1CCN(Cc2ccc3cc(F)ccc3n2)C[C@H]1CCO ZINC000104444025 841636615 /nfs/dbraw/zinc/63/66/15/841636615.db2.gz MQPLSVVVXFMGFD-HSZRJFAPSA-N 1 1 393.506 3.751 50 0 GHAAMO Cc1cc(C)cc(OCc2noc(CN3CCC[N@H+](C4CCCC4)CC3)n2)c1 ZINC000178686736 844844136 /nfs/dbraw/zinc/84/41/36/844844136.db2.gz UBHRFKJMLXSVLU-UHFFFAOYSA-N 1 1 384.524 3.716 50 0 GHAAMO CC[N@H+]1CCC[C@H](N2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)C1 ZINC000022912098 846540997 /nfs/dbraw/zinc/54/09/97/846540997.db2.gz KESICJXTPNPOJS-NRFANRHFSA-N 1 1 399.579 3.640 50 0 GHAAMO CCN1CCC[C@H]([NH+]2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)C1 ZINC000022912098 846541003 /nfs/dbraw/zinc/54/10/03/846541003.db2.gz KESICJXTPNPOJS-NRFANRHFSA-N 1 1 399.579 3.640 50 0 GHAAMO CCOC(=O)[C@@]1(CCOC)CCC[N@@H+](Cc2c[nH]nc2C2CCCCC2)C1 ZINC000012443744 862391094 /nfs/dbraw/zinc/39/10/94/862391094.db2.gz BPKHBDFTGZGKEZ-OAQYLSRUSA-N 1 1 377.529 3.639 50 0 GHAAMO O=C(/C=C/c1ccc(F)c(Cl)c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029716296 853383821 /nfs/dbraw/zinc/38/38/21/853383821.db2.gz NGEWDONNLSEIQN-SOFGYWHQSA-N 1 1 388.870 3.641 50 0 GHAAMO O=C(CC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1)Nc1cccc(Cl)c1 ZINC000172556862 856477324 /nfs/dbraw/zinc/47/73/24/856477324.db2.gz STSYBILLMVDGCY-OAHLLOKOSA-N 1 1 383.883 3.591 50 0 GHAAMO Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000040013024 856628619 /nfs/dbraw/zinc/62/86/19/856628619.db2.gz VWISOAOAQSXFOM-JOCHJYFZSA-N 1 1 382.552 3.604 50 0 GHAAMO Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000040013024 856628624 /nfs/dbraw/zinc/62/86/24/856628624.db2.gz VWISOAOAQSXFOM-JOCHJYFZSA-N 1 1 382.552 3.604 50 0 GHAAMO CC(C)SCC(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F ZINC000040114374 856667958 /nfs/dbraw/zinc/66/79/58/856667958.db2.gz FSRUMVFVBDBAJS-CQSZACIVSA-N 1 1 381.517 3.719 50 0 GHAAMO CC(C)SCC(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F ZINC000040114374 856667963 /nfs/dbraw/zinc/66/79/63/856667963.db2.gz FSRUMVFVBDBAJS-CQSZACIVSA-N 1 1 381.517 3.719 50 0 GHAAMO Cc1ccc(-c2cc(C(=O)NCCCn3cc[nH+]c3C)c3c(C)noc3n2)s1 ZINC000040155366 856686172 /nfs/dbraw/zinc/68/61/72/856686172.db2.gz PBDBZITVXIQUAH-UHFFFAOYSA-N 1 1 395.488 3.893 50 0 GHAAMO Cc1ccccc1[C@H](OC[C@H](O)C[N@H+]1CCCC[C@@H]1CCO)c1ccccc1 ZINC000004164680 862833657 /nfs/dbraw/zinc/83/36/57/862833657.db2.gz VESGNTBUUJOFAR-CQOQZXRMSA-N 1 1 383.532 3.699 50 0 GHAAMO CC1CCC(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)CC1 ZINC000040930027 857115777 /nfs/dbraw/zinc/11/57/77/857115777.db2.gz VBSPVLALWWGZAR-UHFFFAOYSA-N 1 1 382.508 3.644 50 0 GHAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(Br)cc1F ZINC000032400275 862911706 /nfs/dbraw/zinc/91/17/06/862911706.db2.gz HXXVZLHZMILRKZ-UHFFFAOYSA-N 1 1 391.284 3.766 50 0 GHAAMO COc1cccc2[nH]c3c(ncnc3N3CC[NH+](C/C=C/c4ccccc4)CC3)c21 ZINC000002420536 858677765 /nfs/dbraw/zinc/67/77/65/858677765.db2.gz CXCGYZKISWGZIB-RMKNXTFCSA-N 1 1 399.498 3.955 50 0 GHAAMO Cc1cc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)ccn1 ZINC000527538223 859642125 /nfs/dbraw/zinc/64/21/25/859642125.db2.gz JVMKNXFZMABIDC-IBGZPJMESA-N 1 1 375.476 3.745 50 0 GHAAMO CCCOc1c(Cl)cc(C=Cc2nc3c(c(=O)[nH]2)C[N@@H+](C)CC3)cc1OC ZINC000606442131 859835371 /nfs/dbraw/zinc/83/53/71/859835371.db2.gz PCNQLHIRJAMFHN-WAYWQWQTSA-N 1 1 389.883 3.791 50 0 GHAAMO OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1csc(-c2cccs2)n1 ZINC000095400273 860566323 /nfs/dbraw/zinc/56/63/23/860566323.db2.gz MGXJUVSGLNHZRG-PKOBYXMFSA-N 1 1 399.585 3.844 50 0 GHAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccc([S@](C)=O)cc1 ZINC000095452087 860587601 /nfs/dbraw/zinc/58/76/01/860587601.db2.gz IJCFERMCMGJBOB-DDWQGHIRSA-N 1 1 385.533 3.551 50 0 GHAAMO O[C@@H](c1ccc(Br)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020792220 860644973 /nfs/dbraw/zinc/64/49/73/860644973.db2.gz RLTKQSKRESYILF-MOPGFXCFSA-N 1 1 376.294 3.599 50 0 GHAAMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1conc1-c1ccccc1 ZINC000826626709 864738159 /nfs/dbraw/zinc/73/81/59/864738159.db2.gz LPPBVJDMAJRQDZ-SFHVURJKSA-N 1 1 379.435 3.875 50 0 GHAAMO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2F)C1)c1conc1-c1ccccc1 ZINC000826626709 864738162 /nfs/dbraw/zinc/73/81/62/864738162.db2.gz LPPBVJDMAJRQDZ-SFHVURJKSA-N 1 1 379.435 3.875 50 0 GHAAMO O=C(C[NH+]1CCCCC1)Nc1ccc(NC(=O)c2cc3ccccc3cn2)cc1 ZINC000828057184 865182129 /nfs/dbraw/zinc/18/21/29/865182129.db2.gz KGTZYXLBOXAZMD-UHFFFAOYSA-N 1 1 388.471 3.912 50 0 GHAAMO FC(F)(F)c1ccc(C[N@H+]2CC[C@H](Cc3nc(-c4cccnc4)n[nH]3)C2)cc1 ZINC000581780026 869962124 /nfs/dbraw/zinc/96/21/24/869962124.db2.gz IMFAXYVSRLMDDM-OAHLLOKOSA-N 1 1 387.409 3.950 50 0 GHAAMO FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](Cc3nnc(-c4cccnc4)[nH]3)C2)cc1 ZINC000581780026 869962137 /nfs/dbraw/zinc/96/21/37/869962137.db2.gz IMFAXYVSRLMDDM-OAHLLOKOSA-N 1 1 387.409 3.950 50 0 GHAAMO FC(F)(F)c1ccc(C[N@H+]2CC[C@H](Cc3nnc(-c4cccnc4)[nH]3)C2)cc1 ZINC000581780026 869962148 /nfs/dbraw/zinc/96/21/48/869962148.db2.gz IMFAXYVSRLMDDM-OAHLLOKOSA-N 1 1 387.409 3.950 50 0 GHAAMO C[N@@H+](Cc1ccccc1)[C@@H]1CCOC2(CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC000581784055 869981694 /nfs/dbraw/zinc/98/16/94/869981694.db2.gz AFVJWBGLNZPCJR-HSZRJFAPSA-N 1 1 392.543 3.901 50 0 GHAAMO COCCCNC(=O)N1CCC([N@H+]2CC3(CCCC3)[C@H]2c2ccccc2)CC1 ZINC000581802939 870003046 /nfs/dbraw/zinc/00/30/46/870003046.db2.gz PGKAGDJFJDDDLV-OAQYLSRUSA-N 1 1 385.552 3.814 50 0 GHAAMO CC[N@@H+](CCNC(=O)CC1=C2CCCC[C@@H]2N(C(C)C)C1=O)Cc1ccccc1 ZINC000581792533 870009730 /nfs/dbraw/zinc/00/97/30/870009730.db2.gz IWJFWHKOQCSXSK-QFIPXVFZSA-N 1 1 397.563 3.505 50 0 GHAAMO O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000123692702 913390397 /nfs/dbraw/zinc/39/03/97/913390397.db2.gz YELNWLKNGAUEAJ-UHFFFAOYSA-N 1 1 396.878 3.671 50 0 GHAAMO CC(C)(CNC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000032971767 891848064 /nfs/dbraw/zinc/84/80/64/891848064.db2.gz YYMRWPVXGFIMMO-GQCTYLIASA-N 1 1 390.833 3.599 50 0 GHAAMO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000585080824 897045945 /nfs/dbraw/zinc/04/59/45/897045945.db2.gz CQPLUABFOFKUJC-HSZRJFAPSA-N 1 1 394.563 3.665 50 0 GHAAMO C[C@H](c1cccnc1)[N@H+](Cc1ccc(-n2ccnc2)nc1)CC1CCOCC1 ZINC000585084644 897174822 /nfs/dbraw/zinc/17/48/22/897174822.db2.gz APNWLRLQXTXMNU-GOSISDBHSA-N 1 1 377.492 3.652 50 0 GHAAMO CN(C(=O)c1ccc(NC(=O)c2cc3sccc3[nH]2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000192134722 897810162 /nfs/dbraw/zinc/81/01/62/897810162.db2.gz VUAICHGUJCNWLM-INIZCTEOSA-N 1 1 396.516 3.648 50 0 GHAAMO CC(C)=CC[N@@H+]1CCN(Cc2nc(-c3ccc(F)cc3)cs2)C[C@H]1CCO ZINC000036385784 904470605 /nfs/dbraw/zinc/47/06/05/904470605.db2.gz SBRYCAXKNMXVSQ-LJQANCHMSA-N 1 1 389.540 3.784 50 0 GHAAMO CC(C)=CC[N@H+]1CCN(Cc2nc(-c3ccc(F)cc3)cs2)C[C@H]1CCO ZINC000036385784 904470607 /nfs/dbraw/zinc/47/06/07/904470607.db2.gz SBRYCAXKNMXVSQ-LJQANCHMSA-N 1 1 389.540 3.784 50 0 GHAAMO Cc1nc(COc2ccc(C[N@@H+](C)C[C@@H]3CCn4ccnc4C3)cc2)cs1 ZINC000952846315 904629559 /nfs/dbraw/zinc/62/95/59/904629559.db2.gz ZOCWVTAUFNDHQE-GOSISDBHSA-N 1 1 382.533 3.921 50 0 GHAAMO COc1cc(OC)c(C(=O)Nc2ccccc2Cn2cc[nH+]c2C)cc1OC ZINC000952975842 904654950 /nfs/dbraw/zinc/65/49/50/904654950.db2.gz LPXOKGVVHKGHOS-UHFFFAOYSA-N 1 1 381.432 3.518 50 0 GHAAMO COc1cc2c(cc1C[N@@H+](C)C[C@@H]1CCN(c3ccccc3)C1)OCCCO2 ZINC000952984921 904671593 /nfs/dbraw/zinc/67/15/93/904671593.db2.gz OQRYMJLMJGAIQI-SFHVURJKSA-N 1 1 382.504 3.815 50 0 GHAAMO Cc1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1NC(=O)C[NH+](C)C ZINC000952986949 904673103 /nfs/dbraw/zinc/67/31/03/904673103.db2.gz HFCBECKQDGZEPT-UHFFFAOYSA-N 1 1 391.924 3.879 50 0 GHAAMO O=C(/C=C\c1c(F)cccc1Cl)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000096943902 915262079 /nfs/dbraw/zinc/26/20/79/915262079.db2.gz SXTWNHKHCDCDNO-HJWRWDBZSA-N 1 1 388.870 3.641 50 0 GHAAMO COc1ncccc1C(=O)N1CCC[C@@H]2C[N@@H+](CCCc3ccccc3)CC[C@@H]21 ZINC000015007840 919356055 /nfs/dbraw/zinc/35/60/55/919356055.db2.gz VAJGOQATSDHVAL-IRLDBZIGSA-N 1 1 393.531 3.650 50 0 GHAAMO O=C(Nc1ccc2c(c1)C[N@@H+](C1CCOCC1)CC2)C1(c2ccccc2)CC1 ZINC000019772197 919597649 /nfs/dbraw/zinc/59/76/49/919597649.db2.gz COAPFBINQYDSIY-UHFFFAOYSA-N 1 1 376.500 3.894 50 0 GHAAMO Fc1ccccc1Cc1noc(CN2CCC[N@@H+](Cc3ccccc3F)CC2)n1 ZINC000020204823 919617634 /nfs/dbraw/zinc/61/76/34/919617634.db2.gz HDGQEIFBOLUEOX-UHFFFAOYSA-N 1 1 398.457 3.647 50 0 GHAAMO Fc1ccccc1Cc1noc(CN2CCC[N@H+](Cc3ccccc3F)CC2)n1 ZINC000020204823 919617645 /nfs/dbraw/zinc/61/76/45/919617645.db2.gz HDGQEIFBOLUEOX-UHFFFAOYSA-N 1 1 398.457 3.647 50 0 GHAAMO C[C@H]1CCC[N@H+]([C@@H]2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)C1 ZINC000039447870 919711594 /nfs/dbraw/zinc/71/15/94/919711594.db2.gz VRGBEIHHTKTCIC-GOEBONIOSA-N 1 1 378.900 3.682 50 0 GHAAMO OC1(c2cccc(OC(F)(F)F)c2)CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC000844323624 922491307 /nfs/dbraw/zinc/49/13/07/922491307.db2.gz XRTWGFZPAPJXQB-UHFFFAOYSA-N 1 1 395.425 3.602 50 0 GHAAMO COC(=O)[C@@H]1CCCC[N@@H+]1C1CCN(c2nc(C)c3cc(C)c(C)cc3n2)CC1 ZINC000055074788 924035077 /nfs/dbraw/zinc/03/50/77/924035077.db2.gz BPLCLPZZGDCPFG-NRFANRHFSA-N 1 1 396.535 3.551 50 0 GHAAMO COC(=O)[C@@H]1CCCC[N@H+]1C1CCN(c2nc(C)c3cc(C)c(C)cc3n2)CC1 ZINC000055074788 924035090 /nfs/dbraw/zinc/03/50/90/924035090.db2.gz BPLCLPZZGDCPFG-NRFANRHFSA-N 1 1 396.535 3.551 50 0 GHAAMO C[C@@H](CNC(=O)c1cccnc1)Oc1cccc(C[N@@H+](C)Cc2cccs2)c1 ZINC000055035696 924035382 /nfs/dbraw/zinc/03/53/82/924035382.db2.gz IUHRLXMAPDHUFT-KRWDZBQOSA-N 1 1 395.528 3.972 50 0 GHAAMO C[C@H]([NH2+]Cc1cc2n(n1)CCCC2)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000649575073 1048995124 /nfs/dbraw/zinc/99/51/24/1048995124.db2.gz BBTSKURJRODXKI-INIZCTEOSA-N 1 1 375.476 3.718 50 0 GHAAMO CCc1cnc(C)nc1-c1cccc(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000426538363 529637497 /nfs/dbraw/zinc/63/74/97/529637497.db2.gz JSESYFVXGHGBAG-HSZRJFAPSA-N 1 1 378.520 3.572 50 0 GHAAMO C[N@H+]1CCCN(C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)CC1 ZINC000121015567 530053785 /nfs/dbraw/zinc/05/37/85/530053785.db2.gz OTPQETUDOZCAIU-UHFFFAOYSA-N 1 1 384.867 3.563 50 0 GHAAMO CCOc1ccc(N2C(=O)C[C@@H](Nc3ccc([NH+]4CCCCC4)cc3)C2=O)cc1 ZINC000000637035 212167335 /nfs/dbraw/zinc/16/73/35/212167335.db2.gz KPRYXBDMTHBYNB-OAQYLSRUSA-N 1 1 393.487 3.820 50 0 GHAAMO CC[N@H+]1CCC[C@H]1CN1CC(=O)C(c2nc(-c3ccc(OC)cc3)cs2)=C1N ZINC000245256518 212134796 /nfs/dbraw/zinc/13/47/96/212134796.db2.gz QIBJJYXCRRJHLF-HNNXBMFYSA-N 1 1 398.532 3.865 50 0 GHAAMO CC[N@@H+]1CCC[C@H]1Cn1cc(O)c(-c2nc(-c3ccc(OC)cc3)cs2)c1N ZINC000245256518 212134800 /nfs/dbraw/zinc/13/48/00/212134800.db2.gz QIBJJYXCRRJHLF-HNNXBMFYSA-N 1 1 398.532 3.865 50 0 GHAAMO CC[N@H+]1CCC[C@H]1Cn1cc(O)c(-c2nc(-c3ccc(OC)cc3)cs2)c1N ZINC000245256518 212134803 /nfs/dbraw/zinc/13/48/03/212134803.db2.gz QIBJJYXCRRJHLF-HNNXBMFYSA-N 1 1 398.532 3.865 50 0 GHAAMO C[N@H+](Cc1cc2ccccc2c(=O)[nH]1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000225386663 212114436 /nfs/dbraw/zinc/11/44/36/212114436.db2.gz JJCYOORXEQFBRI-RTBURBONSA-N 1 1 389.282 3.925 50 0 GHAAMO C[N@@H+](Cc1cc2ccccc2c(=O)[nH]1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000225386663 212114440 /nfs/dbraw/zinc/11/44/40/212114440.db2.gz JJCYOORXEQFBRI-RTBURBONSA-N 1 1 389.282 3.925 50 0 GHAAMO C[N@H+]1C[C@H](NC(=O)c2ccc(COc3ccc(F)cc3)o2)[C@@H](c2ccccc2)C1 ZINC000222029319 212114468 /nfs/dbraw/zinc/11/44/68/212114468.db2.gz RGUKOPCUGJZQRD-RTWAWAEBSA-N 1 1 394.446 3.825 50 0 GHAAMO Clc1cc(CN2CC[NH+](Cc3ccsc3)CC2)cc2c1OCCCO2 ZINC000022808427 212112954 /nfs/dbraw/zinc/11/29/54/212112954.db2.gz OSDWKALPHGHZPV-UHFFFAOYSA-N 1 1 378.925 3.881 50 0 GHAAMO CCCOc1ccc(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)cc1OC ZINC000003356203 220633651 /nfs/dbraw/zinc/63/36/51/220633651.db2.gz OFNODLWJMQDREX-GOSISDBHSA-N 1 1 386.492 3.525 50 0 GHAAMO COc1ccc(CNC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000004966562 220800952 /nfs/dbraw/zinc/80/09/52/220800952.db2.gz UTMQQPURXJVINR-UHFFFAOYSA-N 1 1 395.528 3.801 50 0 GHAAMO CCOC(=O)c1oc2ccccc2c1C[N@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000007995399 221022848 /nfs/dbraw/zinc/02/28/48/221022848.db2.gz OADVEWQXQLKQQB-UHFFFAOYSA-N 1 1 380.444 3.601 50 0 GHAAMO CCOC(=O)c1oc2ccccc2c1C[N@@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000007995399 221022851 /nfs/dbraw/zinc/02/28/51/221022851.db2.gz OADVEWQXQLKQQB-UHFFFAOYSA-N 1 1 380.444 3.601 50 0 GHAAMO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCC[C@H]3c3cccs3)cc2)CC1 ZINC000008165679 221029318 /nfs/dbraw/zinc/02/93/18/221029318.db2.gz KGIDAMYGLXBYLK-FQEVSTJZSA-N 1 1 398.576 3.666 50 0 GHAAMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000007915785 221016071 /nfs/dbraw/zinc/01/60/71/221016071.db2.gz VTHSVCNOYXVXAZ-UHFFFAOYSA-N 1 1 392.684 3.742 50 0 GHAAMO O=C(CSc1ccccn1)N1CCC[C@@H]2C[N@@H+](CCc3ccccc3)CC[C@@H]21 ZINC000011790848 221126615 /nfs/dbraw/zinc/12/66/15/221126615.db2.gz ZMSNXLBGXDLAFA-RTWAWAEBSA-N 1 1 395.572 3.729 50 0 GHAAMO Cc1ncsc1C(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000011816730 221128410 /nfs/dbraw/zinc/12/84/10/221128410.db2.gz YTVKFACGDXAPGL-INIZCTEOSA-N 1 1 375.513 3.617 50 0 GHAAMO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](Cc4cccnc4)C3)C2)c1OC ZINC000011821432 221129090 /nfs/dbraw/zinc/12/90/90/221129090.db2.gz CYCZPJLPMUHSQB-HSZRJFAPSA-N 1 1 381.520 3.587 50 0 GHAAMO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3)C2)c1OC ZINC000011821432 221129092 /nfs/dbraw/zinc/12/90/92/221129092.db2.gz CYCZPJLPMUHSQB-HSZRJFAPSA-N 1 1 381.520 3.587 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3)C2)c1OC ZINC000011821432 221129094 /nfs/dbraw/zinc/12/90/94/221129094.db2.gz CYCZPJLPMUHSQB-HSZRJFAPSA-N 1 1 381.520 3.587 50 0 GHAAMO CC(C)[C@@H](NC(=O)C[N@H+](C)Cc1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000011231746 221113622 /nfs/dbraw/zinc/11/36/22/221113622.db2.gz YFWRKNXLILXFFC-JOCHJYFZSA-N 1 1 386.467 3.542 50 0 GHAAMO CC(C)[C@@H](NC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000011231746 221113626 /nfs/dbraw/zinc/11/36/26/221113626.db2.gz YFWRKNXLILXFFC-JOCHJYFZSA-N 1 1 386.467 3.542 50 0 GHAAMO CCNc1nc(C)c(C(=O)N(C)[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)s1 ZINC000011997004 221142108 /nfs/dbraw/zinc/14/21/08/221142108.db2.gz SAGPLZVRWTWMGM-GOSISDBHSA-N 1 1 398.576 3.587 50 0 GHAAMO Cc1cc(C)c(CN2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)cc1C ZINC000011997508 221142599 /nfs/dbraw/zinc/14/25/99/221142599.db2.gz IWMIKGMQHIBEPT-XMMPIXPASA-N 1 1 382.548 3.776 50 0 GHAAMO COC(=O)CC[C@H]1C[N@@H+](C/C=C(\C)CCC=C(C)C)CC[C@H]1N1CCOCC1 ZINC000011911260 221136366 /nfs/dbraw/zinc/13/63/66/221136366.db2.gz NTOFHKOCEPRSCY-VGDQEEJISA-N 1 1 392.584 3.655 50 0 GHAAMO CCCC[C@@H]1C[N@@H+](CCC(=O)NCCc2ccccn2)Cc2ccccc2O1 ZINC000011912590 221136577 /nfs/dbraw/zinc/13/65/77/221136577.db2.gz CGOBJTDCFNXHCP-OAQYLSRUSA-N 1 1 381.520 3.584 50 0 GHAAMO CSc1cccc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2cccnc2)C3=O)c1 ZINC000012320273 221181568 /nfs/dbraw/zinc/18/15/68/221181568.db2.gz BFVTXEFBZQBIOH-JOCHJYFZSA-N 1 1 381.545 3.818 50 0 GHAAMO Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)n1 ZINC000012325990 221182981 /nfs/dbraw/zinc/18/29/81/221182981.db2.gz ROJHRVXANXPKOX-KRWDZBQOSA-N 1 1 376.460 3.896 50 0 GHAAMO Cc1ccccc1-c1noc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)n1 ZINC000012325990 221182983 /nfs/dbraw/zinc/18/29/83/221182983.db2.gz ROJHRVXANXPKOX-KRWDZBQOSA-N 1 1 376.460 3.896 50 0 GHAAMO Fc1cccc(CN2CCC([C@H]3CC[N@@H+](CCCn4cccn4)C3)CC2)c1F ZINC000012203935 221168201 /nfs/dbraw/zinc/16/82/01/221168201.db2.gz WDVCSJDEWSKRAT-IBGZPJMESA-N 1 1 388.506 3.786 50 0 GHAAMO CN(C(=O)c1cc2ccccc2n1C)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012449004 221196701 /nfs/dbraw/zinc/19/67/01/221196701.db2.gz SVIVBBJCJJFDSD-NRFANRHFSA-N 1 1 375.516 3.957 50 0 GHAAMO O=C(Nc1ccc(Oc2cccnc2)cc1)C1CC[NH+](Cc2ccon2)CC1 ZINC000012449106 221196903 /nfs/dbraw/zinc/19/69/03/221196903.db2.gz POQBRTUFQBAIBK-UHFFFAOYSA-N 1 1 378.432 3.713 50 0 GHAAMO COc1cc(NC(=O)CC[C@H]2CCC[N@@H+](CCCSC)C2)cc(OC)c1 ZINC000012718361 221221114 /nfs/dbraw/zinc/22/11/14/221221114.db2.gz SWTKJGIYYRDFMH-MRXNPFEDSA-N 1 1 380.554 3.888 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@H](NC(=O)C3(c4ccccc4F)CC3)C2)c1 ZINC000012712504 221221530 /nfs/dbraw/zinc/22/15/30/221221530.db2.gz SPGRKOHMMRBDID-SFHVURJKSA-N 1 1 382.479 3.647 50 0 GHAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000012756773 221226893 /nfs/dbraw/zinc/22/68/93/221226893.db2.gz YLSGMJZIEQVVCE-MGPUTAFESA-N 1 1 386.467 3.857 50 0 GHAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000012756773 221226896 /nfs/dbraw/zinc/22/68/96/221226896.db2.gz YLSGMJZIEQVVCE-MGPUTAFESA-N 1 1 386.467 3.857 50 0 GHAAMO CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000012910263 221244774 /nfs/dbraw/zinc/24/47/74/221244774.db2.gz ZEEAMODWUZQDKS-FQEVSTJZSA-N 1 1 380.488 3.643 50 0 GHAAMO CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000012910263 221244778 /nfs/dbraw/zinc/24/47/78/221244778.db2.gz ZEEAMODWUZQDKS-FQEVSTJZSA-N 1 1 380.488 3.643 50 0 GHAAMO CN(C)S(=O)(=O)c1ccc(CNc2cc[nH+]c3cc(Cl)ccc23)s1 ZINC000012856623 221238297 /nfs/dbraw/zinc/23/82/97/221238297.db2.gz WWJHGONABJZQLY-UHFFFAOYSA-N 1 1 381.910 3.812 50 0 GHAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(C)o3)C2)cc1 ZINC000013596546 221277398 /nfs/dbraw/zinc/27/73/98/221277398.db2.gz QETHVGRWSOVJCW-SFHVURJKSA-N 1 1 398.503 3.683 50 0 GHAAMO O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014051884 221297634 /nfs/dbraw/zinc/29/76/34/221297634.db2.gz WNMAHQRHTYCREI-UHFFFAOYSA-N 1 1 380.879 3.688 50 0 GHAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2c3ccccc3C[C@@H]2C)c(OC)c1 ZINC000014249621 221306938 /nfs/dbraw/zinc/30/69/38/221306938.db2.gz VWEANBTXIRWGNR-HRAATJIYSA-N 1 1 380.488 3.819 50 0 GHAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2c3ccccc3C[C@@H]2C)c(OC)c1 ZINC000014249621 221306941 /nfs/dbraw/zinc/30/69/41/221306941.db2.gz VWEANBTXIRWGNR-HRAATJIYSA-N 1 1 380.488 3.819 50 0 GHAAMO O=C(c1ccc2c(c1)OCO2)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000015065289 221329481 /nfs/dbraw/zinc/32/94/81/221329481.db2.gz ZQKANGFOJJQBHT-QHCPKHFHSA-N 1 1 396.462 3.683 50 0 GHAAMO CCc1[nH]nc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)c1C ZINC000015076365 221331605 /nfs/dbraw/zinc/33/16/05/221331605.db2.gz SKMUERCKPCSCEM-JOCHJYFZSA-N 1 1 384.499 3.548 50 0 GHAAMO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000016342688 221361094 /nfs/dbraw/zinc/36/10/94/221361094.db2.gz JSTYNTRHAALTTJ-FQEVSTJZSA-N 1 1 399.922 3.746 50 0 GHAAMO Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000017305946 221382536 /nfs/dbraw/zinc/38/25/36/221382536.db2.gz PEFBRQCUWIQJSS-OAHLLOKOSA-N 1 1 383.883 3.861 50 0 GHAAMO Cc1cc(Cl)ccc1NC(=O)C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000017305946 221382537 /nfs/dbraw/zinc/38/25/37/221382537.db2.gz PEFBRQCUWIQJSS-OAHLLOKOSA-N 1 1 383.883 3.861 50 0 GHAAMO O=C1C[C@@H]([NH+]2CCC(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000018220217 221390109 /nfs/dbraw/zinc/39/01/09/221390109.db2.gz JAPZYWROOIPVIC-LJQANCHMSA-N 1 1 386.854 3.991 50 0 GHAAMO COc1ccc(C[N@H+]2CC[C@]3(OC)CC[C@H](Oc4ccccn4)C[C@H]23)c(OC)c1 ZINC000426674039 533570913 /nfs/dbraw/zinc/57/09/13/533570913.db2.gz ATZQWIQRVSCOTG-IEIRFRATSA-N 1 1 398.503 3.690 50 0 GHAAMO COc1ccc(-c2cc(C[NH+]3CCN(c4ccccc4OC)CC3)on2)cc1 ZINC000057352306 132450654 /nfs/dbraw/zinc/45/06/54/132450654.db2.gz NUUCAMXUXHMHCY-UHFFFAOYSA-N 1 1 379.460 3.681 50 0 GHAAMO CC(=O)N1CCCc2cc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000070012560 136165219 /nfs/dbraw/zinc/16/52/19/136165219.db2.gz BTOZCUBLDLZETI-NRFANRHFSA-N 1 1 391.515 3.836 50 0 GHAAMO O=C([C@@H]1CCC[N@@H+](C2CCN(c3ccnc4ccccc43)CC2)C1)N1CCCC1 ZINC000071745530 136166001 /nfs/dbraw/zinc/16/60/01/136166001.db2.gz JWTBRFUIQDPYHD-LJQANCHMSA-N 1 1 392.547 3.538 50 0 GHAAMO O=C([C@@H]1CCC[N@H+](C2CCN(c3ccnc4ccccc43)CC2)C1)N1CCCC1 ZINC000071745530 136166002 /nfs/dbraw/zinc/16/60/02/136166002.db2.gz JWTBRFUIQDPYHD-LJQANCHMSA-N 1 1 392.547 3.538 50 0 GHAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(c1nc(C)nc(C)c1CC)CC2 ZINC000091643260 136176965 /nfs/dbraw/zinc/17/69/65/136176965.db2.gz XQAWYXWTOGHBSM-UHFFFAOYSA-N 1 1 382.556 3.533 50 0 GHAAMO Cc1ccccc1C[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000012581891 136200635 /nfs/dbraw/zinc/20/06/35/136200635.db2.gz PCSLWOWMHAGIKG-UHFFFAOYSA-N 1 1 377.488 3.725 50 0 GHAAMO Cc1ccccc1C[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000012581891 136200636 /nfs/dbraw/zinc/20/06/36/136200636.db2.gz PCSLWOWMHAGIKG-UHFFFAOYSA-N 1 1 377.488 3.725 50 0 GHAAMO C[C@H](c1nnc(-c2cccs2)o1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000022806996 221571553 /nfs/dbraw/zinc/57/15/53/221571553.db2.gz NHCKYHZSKSMVJF-OAHLLOKOSA-N 1 1 396.516 3.612 50 0 GHAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2ccccc2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000036344402 221851774 /nfs/dbraw/zinc/85/17/74/221851774.db2.gz LUUAQYUERHVCKL-HXUWFJFHSA-N 1 1 391.471 3.579 50 0 GHAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2nnc(-c3ccco3)s2)cc1 ZINC000055309959 222020461 /nfs/dbraw/zinc/02/04/61/222020461.db2.gz NNXVIEFBAIBIAN-UHFFFAOYSA-N 1 1 380.433 3.614 50 0 GHAAMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](C2CSCCSC2)C1 ZINC000055357878 222020713 /nfs/dbraw/zinc/02/07/13/222020713.db2.gz LTPMXWOFZNRGTC-HXUWFJFHSA-N 1 1 379.591 3.723 50 0 GHAAMO O=C(NCCc1ccccc1F)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000060244802 222059039 /nfs/dbraw/zinc/05/90/39/222059039.db2.gz WAOCANOKKAOLIM-INIZCTEOSA-N 1 1 375.513 3.641 50 0 GHAAMO O=C(NCCc1cccc(F)c1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000060244750 222059258 /nfs/dbraw/zinc/05/92/58/222059258.db2.gz LTHJRCCCJZGBTK-QGZVFWFLSA-N 1 1 375.513 3.641 50 0 GHAAMO C[C@H](Oc1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cn1)c1ccccc1 ZINC000065477299 222132033 /nfs/dbraw/zinc/13/20/33/222132033.db2.gz CPUOMOYCKFUXKJ-QFBILLFUSA-N 1 1 379.460 3.847 50 0 GHAAMO C[C@H](Oc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cn1)c1ccccc1 ZINC000065477291 222132321 /nfs/dbraw/zinc/13/23/21/222132321.db2.gz CPUOMOYCKFUXKJ-LPHOPBHVSA-N 1 1 379.460 3.847 50 0 GHAAMO COc1ccccc1-c1ccc(C(=O)NCCCn2cc[nH+]c2C(C)C)cn1 ZINC000067514621 222148559 /nfs/dbraw/zinc/14/85/59/222148559.db2.gz KMQWJOZCQSUJDD-UHFFFAOYSA-N 1 1 378.476 3.897 50 0 GHAAMO CN(C)C(=O)CC[N@H+]1CCOc2c(O)cc(-c3csc4ccccc43)cc2C1 ZINC000067689237 222156529 /nfs/dbraw/zinc/15/65/29/222156529.db2.gz KXRBKUISRAZLCX-UHFFFAOYSA-N 1 1 396.512 3.947 50 0 GHAAMO CC(C)(C)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3cnc(-c4ccco4)nc3)C2)C1 ZINC000067772460 222160035 /nfs/dbraw/zinc/16/00/35/222160035.db2.gz RTDQCYOCOMZVMK-JOCHJYFZSA-N 1 1 382.508 3.597 50 0 GHAAMO Cc1c(C(=O)Nc2ccccc2F)nnn1-c1cccc2c1CC[N@H+](C(C)C)C2 ZINC000069951252 222174202 /nfs/dbraw/zinc/17/42/02/222174202.db2.gz UAUMVBCPQAGKQS-UHFFFAOYSA-N 1 1 393.466 3.734 50 0 GHAAMO CNc1ncccc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071551782 222185049 /nfs/dbraw/zinc/18/50/49/222185049.db2.gz KNKFFLRUDVLJMW-FQEVSTJZSA-N 1 1 384.499 3.635 50 0 GHAAMO Cc1nc(CC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)cs1 ZINC000071707954 222187746 /nfs/dbraw/zinc/18/77/46/222187746.db2.gz UQCJMNCVONSFBK-FQEVSTJZSA-N 1 1 389.540 3.892 50 0 GHAAMO Cc1nc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)cs1 ZINC000071759197 222194826 /nfs/dbraw/zinc/19/48/26/222194826.db2.gz BEHOQKWHICJVTB-IBGZPJMESA-N 1 1 375.513 3.963 50 0 GHAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3ccc4occc4c3)CC2)C1)N1CCCC1 ZINC000071767588 222195436 /nfs/dbraw/zinc/19/54/36/222195436.db2.gz JWIGBGHFIVSTGS-NRFANRHFSA-N 1 1 395.547 3.732 50 0 GHAAMO CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000072174623 222216381 /nfs/dbraw/zinc/21/63/81/222216381.db2.gz UIJFUOPSDBSQPI-LJQANCHMSA-N 1 1 380.467 3.829 50 0 GHAAMO CC(=O)N[C@H]1CC[N@@H+](Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)C1 ZINC000072424538 222260013 /nfs/dbraw/zinc/26/00/13/222260013.db2.gz YSLDMJVJAIIMLR-QFIPXVFZSA-N 1 1 388.515 3.867 50 0 GHAAMO O=C(NC1CCCC1)[C@H]1C[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)CCO1 ZINC000072447588 222262476 /nfs/dbraw/zinc/26/24/76/222262476.db2.gz FVHUKVSAJXAHLG-HSZRJFAPSA-N 1 1 376.500 3.517 50 0 GHAAMO O=C(NC1CCCC1)[C@H]1C[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)CCO1 ZINC000072447588 222262480 /nfs/dbraw/zinc/26/24/80/222262480.db2.gz FVHUKVSAJXAHLG-HSZRJFAPSA-N 1 1 376.500 3.517 50 0 GHAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)c1ccc2nccn2c1 ZINC000095497447 222332089 /nfs/dbraw/zinc/33/20/89/222332089.db2.gz BBYISSSMFQDDAX-GOSISDBHSA-N 1 1 394.494 3.500 50 0 GHAAMO Cc1ocnc1C(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000095502335 222335587 /nfs/dbraw/zinc/33/55/87/222335587.db2.gz NFJSPEKRNYKDEV-QGZVFWFLSA-N 1 1 375.900 3.663 50 0 GHAAMO Cc1nc(-c2cccc(NC(=O)c3ccc(-n4cc[nH+]c4C)nn3)c2)cs1 ZINC000077197099 222276062 /nfs/dbraw/zinc/27/60/62/222276062.db2.gz FHWFGJFGHJAJGP-UHFFFAOYSA-N 1 1 376.445 3.655 50 0 GHAAMO CC(C)CCN1C[C@@]2(CCC[N@H+](Cc3nnc(-c4ccco4)o3)C2)CCC1=O ZINC000077408392 222281254 /nfs/dbraw/zinc/28/12/54/222281254.db2.gz LYZOAEBUHFAJIN-NRFANRHFSA-N 1 1 386.496 3.580 50 0 GHAAMO CC(C)CCN1C[C@@]2(CCC[N@@H+](Cc3nnc(-c4ccco4)o3)C2)CCC1=O ZINC000077408392 222281257 /nfs/dbraw/zinc/28/12/57/222281257.db2.gz LYZOAEBUHFAJIN-NRFANRHFSA-N 1 1 386.496 3.580 50 0 GHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000078480276 222296276 /nfs/dbraw/zinc/29/62/76/222296276.db2.gz LJXAQNWOTFJUIR-HDICACEKSA-N 1 1 394.515 3.866 50 0 GHAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000079190030 222305739 /nfs/dbraw/zinc/30/57/39/222305739.db2.gz LRGXBACMFBZHTC-XJKSGUPXSA-N 1 1 380.414 3.576 50 0 biogenic GHAAMO C[C@H](c1ccc(NC(=O)N[C@@H](C)CNc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000084640160 222320212 /nfs/dbraw/zinc/32/02/12/222320212.db2.gz YDONTRJGHORUBI-ZWKOTPCHSA-N 1 1 382.508 3.702 50 0 GHAAMO COc1cc(Br)c(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1OC ZINC000095997184 222369606 /nfs/dbraw/zinc/36/96/06/222369606.db2.gz QTVSEPITZHHBAR-HIFRSBDPSA-N 1 1 386.330 3.695 50 0 GHAAMO COc1cc(Br)c(C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1OC ZINC000095997184 222369609 /nfs/dbraw/zinc/36/96/09/222369609.db2.gz QTVSEPITZHHBAR-HIFRSBDPSA-N 1 1 386.330 3.695 50 0 GHAAMO CN(CC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C)C2)c1ccccc1 ZINC000096151077 222391005 /nfs/dbraw/zinc/39/10/05/222391005.db2.gz AQOUWTQZTOUPGR-JOCHJYFZSA-N 1 1 391.559 3.851 50 0 GHAAMO CCCc1cnc(C)nc1N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095522002 535436665 /nfs/dbraw/zinc/43/66/65/535436665.db2.gz XHCWNLSOXGXBEV-HXUWFJFHSA-N 1 1 376.508 3.761 50 0 GHAAMO COc1cccc(-c2ccc(N3CCC([NH2+]CCc4n[nH]c(C)n4)CC3)cc2)c1 ZINC000082039368 537065384 /nfs/dbraw/zinc/06/53/84/537065384.db2.gz YVSCWVIQIYDWMW-UHFFFAOYSA-N 1 1 391.519 3.590 50 0 GHAAMO COc1cccc(-c2ccc(N3CCC([NH2+]CCc4nnc(C)[nH]4)CC3)cc2)c1 ZINC000082039368 537065385 /nfs/dbraw/zinc/06/53/85/537065385.db2.gz YVSCWVIQIYDWMW-UHFFFAOYSA-N 1 1 391.519 3.590 50 0 GHAAMO Cc1cc(OC[C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)cc(C)c1Cl ZINC000019809676 570221210 /nfs/dbraw/zinc/22/12/10/570221210.db2.gz AHXIIHBIELWGAY-QGZVFWFLSA-N 1 1 392.902 3.658 50 0 GHAAMO COc1cc(OC)cc(C(=O)N2CC[NH+](Cc3ccc4ccccc4c3)CC2)c1 ZINC000019831505 570223369 /nfs/dbraw/zinc/22/33/69/570223369.db2.gz ARIXFOGYXPEKHD-UHFFFAOYSA-N 1 1 390.483 3.815 50 0 GHAAMO CC1(C)CCc2cc(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2O1 ZINC000019835039 570223850 /nfs/dbraw/zinc/22/38/50/570223850.db2.gz QPHMLJNVGVZEOY-UHFFFAOYSA-N 1 1 394.515 3.837 50 0 GHAAMO C[C@@H]1C[C@@H](OC[C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)CC(C)(C)C1 ZINC000019867181 570226575 /nfs/dbraw/zinc/22/65/75/570226575.db2.gz GFQKJOYOOVSYKW-CEXWTWQISA-N 1 1 378.532 3.540 50 0 GHAAMO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(NC(=O)c3ccccc3C)CC2)cc1F ZINC000048367694 570247134 /nfs/dbraw/zinc/24/71/34/570247134.db2.gz RFTGIEVAFUXWCU-QGZVFWFLSA-N 1 1 397.494 3.664 50 0 GHAAMO COc1ccc(C[N@H+]2CCN(Cc3cccc(F)c3)C[C@H]2CCO)c(C)c1C ZINC000104372799 570257909 /nfs/dbraw/zinc/25/79/09/570257909.db2.gz WCAPWUYNAPPPHE-JOCHJYFZSA-N 1 1 386.511 3.520 50 0 GHAAMO OCC1CCN([C@H]2CCC[N@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C2)CC1 ZINC000020999789 570287363 /nfs/dbraw/zinc/28/73/63/570287363.db2.gz JCJHDNPOAMJSEM-QHCPKHFHSA-N 1 1 376.544 3.927 50 0 GHAAMO OCC1CCN([C@H]2CCC[N@@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C2)CC1 ZINC000020999789 570287366 /nfs/dbraw/zinc/28/73/66/570287366.db2.gz JCJHDNPOAMJSEM-QHCPKHFHSA-N 1 1 376.544 3.927 50 0 GHAAMO COc1ccc(C(=O)N2CC[NH+](Cc3c(OC)ccc4ccccc43)CC2)cc1 ZINC000022107893 570306119 /nfs/dbraw/zinc/30/61/19/570306119.db2.gz BNQBIMPSYNRLDO-UHFFFAOYSA-N 1 1 390.483 3.815 50 0 GHAAMO Cc1ccc(-c2cnc(CCC(=O)NC[C@H](c3ccco3)[NH+](C)C)o2)cc1C ZINC000022381611 570315168 /nfs/dbraw/zinc/31/51/68/570315168.db2.gz VDLRVZDVWHUVNF-GOSISDBHSA-N 1 1 381.476 3.903 50 0 GHAAMO OCC[NH+]1CCN(CC/C=C2/c3ccccc3CSc3ccccc32)CC1 ZINC000022577107 570322213 /nfs/dbraw/zinc/32/22/13/570322213.db2.gz GBTIYAZGLIXSCT-NKVSQWTQSA-N 1 1 380.557 3.724 50 0 GHAAMO COc1ccccc1[C@H](CNC(=O)COc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000022679105 570324149 /nfs/dbraw/zinc/32/41/49/570324149.db2.gz FTCNCCMDLNUYMI-FQEVSTJZSA-N 1 1 384.520 3.791 50 0 GHAAMO Cc1[nH]ncc1-c1nc(-c2c(C)ncc3c2CC[N@H+](Cc2ccccc2)C3)no1 ZINC000023506968 570364108 /nfs/dbraw/zinc/36/41/08/570364108.db2.gz VVRBFRPLMMGTEL-UHFFFAOYSA-N 1 1 386.459 3.697 50 0 GHAAMO Cc1[nH]ncc1-c1nc(-c2c(C)ncc3c2CC[N@@H+](Cc2ccccc2)C3)no1 ZINC000023506968 570364111 /nfs/dbraw/zinc/36/41/11/570364111.db2.gz VVRBFRPLMMGTEL-UHFFFAOYSA-N 1 1 386.459 3.697 50 0 GHAAMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(Oc3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC000023509605 570364294 /nfs/dbraw/zinc/36/42/94/570364294.db2.gz RCADCYLXYKKLIZ-CALCHBBNSA-N 1 1 386.467 3.847 50 0 GHAAMO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)c1ccco1 ZINC000024768864 570392568 /nfs/dbraw/zinc/39/25/68/570392568.db2.gz XBHZXWFUKZMJDZ-KRWDZBQOSA-N 1 1 387.480 3.588 50 0 GHAAMO COc1ccc(-n2nnnc2C2([NH2+]Cc3ccccc3)CCCCC2)cc1OC ZINC000035622296 570404229 /nfs/dbraw/zinc/40/42/29/570404229.db2.gz BZGMZJIDSUHJBS-UHFFFAOYSA-N 1 1 393.491 3.629 50 0 GHAAMO O=C(/C=C/c1cccc(Br)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000027049608 570407379 /nfs/dbraw/zinc/40/73/79/570407379.db2.gz QKOZHYPYWRXREA-MDZDMXLPSA-N 1 1 385.305 3.807 50 0 GHAAMO CC(C)[C@H](CNC(=O)c1cc2ccccc2oc1=O)[N@H+]1CCc2ccccc2C1 ZINC000025536488 570415602 /nfs/dbraw/zinc/41/56/02/570415602.db2.gz KHPOBYOUXIESHF-NRFANRHFSA-N 1 1 390.483 3.606 50 0 GHAAMO NC(=O)[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1 ZINC000026221129 570423311 /nfs/dbraw/zinc/42/33/11/570423311.db2.gz KVKZLDCECNRUHI-QHCPKHFHSA-N 1 1 382.467 3.856 50 0 GHAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000026474913 570425886 /nfs/dbraw/zinc/42/58/86/570425886.db2.gz GNIFHUYKVIWZDL-QHCPKHFHSA-N 1 1 389.499 3.898 50 0 GHAAMO Cc1cc(C)c(S(=O)(=O)N2CCC(C[N@@H+]3CCC[C@H](C)C3)CC2)c(C)c1 ZINC000032951949 570428421 /nfs/dbraw/zinc/42/84/21/570428421.db2.gz DFYQQMKNCLOQJI-INIZCTEOSA-N 1 1 378.582 3.744 50 0 GHAAMO COCCc1noc(C[N@@H+]2Cc3cc(OC)ccc3C[C@@H]2C2CCCCC2)n1 ZINC000444752378 570442315 /nfs/dbraw/zinc/44/23/15/570442315.db2.gz TYNNGKVQQAPJGL-HXUWFJFHSA-N 1 1 385.508 3.774 50 0 GHAAMO COCCc1noc(C[N@H+]2Cc3cc(OC)ccc3C[C@@H]2C2CCCCC2)n1 ZINC000444752378 570442317 /nfs/dbraw/zinc/44/23/17/570442317.db2.gz TYNNGKVQQAPJGL-HXUWFJFHSA-N 1 1 385.508 3.774 50 0 GHAAMO COCC[N@H+](Cc1cc(C)ccc1C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036030974 570517477 /nfs/dbraw/zinc/51/74/77/570517477.db2.gz HOZUEBUDATXLCJ-FQEVSTJZSA-N 1 1 377.912 3.845 50 0 GHAAMO COc1cc(C[N@@H+](CCC(C)C)C[C@H](O)COCc2ccco2)cc(OC)c1 ZINC000036095136 570534479 /nfs/dbraw/zinc/53/44/79/570534479.db2.gz DTJAQGHGPANFLU-IBGZPJMESA-N 1 1 391.508 3.723 50 0 GHAAMO COc1ccc(C[N@@H+](Cc2ccco2)C[C@H](O)COc2ccccc2)cc1OC ZINC000036095721 570534925 /nfs/dbraw/zinc/53/49/25/570534925.db2.gz AHGJEXJGJTZITH-IBGZPJMESA-N 1 1 397.471 3.739 50 0 GHAAMO COc1ccc(C[N@H+](Cc2ccco2)C[C@H](O)COc2ccccc2)cc1OC ZINC000036095721 570534929 /nfs/dbraw/zinc/53/49/29/570534929.db2.gz AHGJEXJGJTZITH-IBGZPJMESA-N 1 1 397.471 3.739 50 0 GHAAMO COc1ccc(OC[C@@H](O)C[N@H+](Cc2ccco2)Cc2cccc(OC)c2)cc1 ZINC000036098221 570536545 /nfs/dbraw/zinc/53/65/45/570536545.db2.gz DUPGUGYYRXDHDI-IBGZPJMESA-N 1 1 397.471 3.739 50 0 GHAAMO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccco2)Cc2cccc(OC)c2)cc1 ZINC000036098221 570536548 /nfs/dbraw/zinc/53/65/48/570536548.db2.gz DUPGUGYYRXDHDI-IBGZPJMESA-N 1 1 397.471 3.739 50 0 GHAAMO O=C(NC[C@@H]1COc2ccccc2C1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000072310102 570538860 /nfs/dbraw/zinc/53/88/60/570538860.db2.gz LYJFSOHTXIRWNJ-NQIIRXRSSA-N 1 1 382.479 3.548 50 0 GHAAMO O=C(NC[C@@H]1COc2ccccc2C1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072310102 570538864 /nfs/dbraw/zinc/53/88/64/570538864.db2.gz LYJFSOHTXIRWNJ-NQIIRXRSSA-N 1 1 382.479 3.548 50 0 GHAAMO O=C(NC[C@H]1COc2ccccc2C1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000072310103 570539006 /nfs/dbraw/zinc/53/90/06/570539006.db2.gz LYJFSOHTXIRWNJ-RXVVDRJESA-N 1 1 382.479 3.548 50 0 GHAAMO O=C(NC[C@H]1COc2ccccc2C1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072310103 570539010 /nfs/dbraw/zinc/53/90/10/570539010.db2.gz LYJFSOHTXIRWNJ-RXVVDRJESA-N 1 1 382.479 3.548 50 0 GHAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000036102388 570539069 /nfs/dbraw/zinc/53/90/69/570539069.db2.gz LLJIHSARQVPVTH-FQEVSTJZSA-N 1 1 389.467 3.541 50 0 GHAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104117 570540756 /nfs/dbraw/zinc/54/07/56/570540756.db2.gz PUKZNQVXFFUGSE-LJQANCHMSA-N 1 1 377.431 3.671 50 0 GHAAMO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104117 570540758 /nfs/dbraw/zinc/54/07/58/570540758.db2.gz PUKZNQVXFFUGSE-LJQANCHMSA-N 1 1 377.431 3.671 50 0 GHAAMO CC[C@@H]1c2ccsc2CC[N@H+]1C[C@H](O)COc1ccc(C(C)=O)cc1OC ZINC000034889305 570546652 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Cc1cnccc1CNC(=O)c1ccc([C@@H]2CCC[N@H+]2C2CCOCC2)s1 ZINC000023214806 849148007 /nfs/dbraw/zinc/14/80/07/849148007.db2.gz CVHIZWUOBDAQAV-SFHVURJKSA-N 1 1 385.533 3.697 50 0 GHAAMO C[N@@H+]1CCN(C(=O)/C=C\c2cc(Cl)c3c(c2)OCCO3)[C@@H](c2ccccc2)C1 ZINC000229622341 862058162 /nfs/dbraw/zinc/05/81/62/862058162.db2.gz PKWSKHGVOJSRHB-QULHZPMSSA-N 1 1 398.890 3.640 50 0 GHAAMO C[N@H+]1CCN(C(=O)/C=C\c2cc(Cl)c3c(c2)OCCO3)[C@@H](c2ccccc2)C1 ZINC000229622341 862058172 /nfs/dbraw/zinc/05/81/72/862058172.db2.gz PKWSKHGVOJSRHB-QULHZPMSSA-N 1 1 398.890 3.640 50 0 GHAAMO CSc1cccc(NC(=S)N2CCC([N@@H+](C)C[C@@H]3CCCO3)CC2)c1 ZINC000003058232 862152841 /nfs/dbraw/zinc/15/28/41/862152841.db2.gz JKRXAYPPZOJILM-KRWDZBQOSA-N 1 1 379.595 3.681 50 0 GHAAMO O=C(/C=C/c1ccncc1)N1CC[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000012448348 862403937 /nfs/dbraw/zinc/40/39/37/862403937.db2.gz HSPOIGSZJUTNQT-UROCCOEBSA-N 1 1 375.516 3.652 50 0 GHAAMO C[C@@H]1c2ccccc2C=C1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000253418138 855093439 /nfs/dbraw/zinc/09/34/39/855093439.db2.gz QHUMZJKTHROXNX-APWZRJJASA-N 1 1 389.499 3.523 50 0 GHAAMO Brc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2OC3)cc1 ZINC000002314508 855192905 /nfs/dbraw/zinc/19/29/05/855192905.db2.gz WGYUVTZIHQLYBS-QGZVFWFLSA-N 1 1 381.233 3.512 50 0 GHAAMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cc(C3CC3)nn2-c2ccccc2)C1 ZINC000040112689 856667296 /nfs/dbraw/zinc/66/72/96/856667296.db2.gz SNBQZTSHNNYSDR-SFHVURJKSA-N 1 1 380.536 3.992 50 0 GHAAMO CCOC(=O)/C=C\c1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000245263547 856787213 /nfs/dbraw/zinc/78/72/13/856787213.db2.gz AQZWGANRHSDMEA-SZRHCGQDSA-N 1 1 393.487 3.784 50 0 GHAAMO CCOC(=O)/C=C\c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000245263547 856787223 /nfs/dbraw/zinc/78/72/23/856787223.db2.gz AQZWGANRHSDMEA-SZRHCGQDSA-N 1 1 393.487 3.784 50 0 GHAAMO Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1F ZINC000010128721 857409103 /nfs/dbraw/zinc/40/91/03/857409103.db2.gz GSROOSGLXOYYGG-FQEVSTJZSA-N 1 1 398.478 3.749 50 0 GHAAMO Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1F ZINC000010128721 857409110 /nfs/dbraw/zinc/40/91/10/857409110.db2.gz GSROOSGLXOYYGG-FQEVSTJZSA-N 1 1 398.478 3.749 50 0 GHAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)c3ccccc3SC)C2)CC1 ZINC000011933361 858215207 /nfs/dbraw/zinc/21/52/07/858215207.db2.gz XQZLNMWRHZKXBA-INIZCTEOSA-N 1 1 390.549 3.924 50 0 GHAAMO C[N@@H+](Cc1cccs1)[C@H]1CCC(=O)N(CCOc2ccc(F)cc2)CC1 ZINC000012126280 859005964 /nfs/dbraw/zinc/00/59/64/859005964.db2.gz GSCSRMHBJNKGPZ-KRWDZBQOSA-N 1 1 376.497 3.779 50 0 GHAAMO O=C(COc1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019798039 860375171 /nfs/dbraw/zinc/37/51/71/860375171.db2.gz ZTVWCEVWJZNMBX-UHFFFAOYSA-N 1 1 386.495 3.999 50 0 GHAAMO COc1ccc(CCC(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1 ZINC000020410646 860567043 /nfs/dbraw/zinc/56/70/43/860567043.db2.gz DCDZLCQANKRIKJ-IBGZPJMESA-N 1 1 397.471 3.554 50 0 biogenic GHAAMO COc1ccc(CCC(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1 ZINC000020410646 860567055 /nfs/dbraw/zinc/56/70/55/860567055.db2.gz DCDZLCQANKRIKJ-IBGZPJMESA-N 1 1 397.471 3.554 50 0 biogenic GHAAMO C[C@@H]1CN(C(=O)Nc2ccc([S@](C)=O)cc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000095452088 860587317 /nfs/dbraw/zinc/58/73/17/860587317.db2.gz IJCFERMCMGJBOB-VCCADOKLSA-N 1 1 385.533 3.551 50 0 GHAAMO CC(C)C[C@@H]1C[C@H](C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC(=O)N1 ZINC000095468816 860594437 /nfs/dbraw/zinc/59/44/37/860594437.db2.gz ZJKZHLXSSAYGED-AZUAARDMSA-N 1 1 396.535 3.934 50 0 GHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000021095823 860712186 /nfs/dbraw/zinc/71/21/86/860712186.db2.gz UFYDQXRQUMNHDT-AWEZNQCLSA-N 1 1 393.325 3.606 50 0 GHAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)COCc1cc(-c2cccs2)on1 ZINC000021528171 860821955 /nfs/dbraw/zinc/82/19/55/860821955.db2.gz WZNIKYXDWLZTRX-IYBDPMFKSA-N 1 1 391.537 3.689 50 0 GHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnc2c(-c3cccc(C)c3)c(C)nn2c1C ZINC000021537887 860824050 /nfs/dbraw/zinc/82/40/50/860824050.db2.gz TWWIRFFAPFLECT-LJQANCHMSA-N 1 1 391.519 3.536 50 0 GHAAMO CCOc1ccc2c(c1)oc(CSCCC[NH+]1CCOCC1)c2C(=O)OC ZINC000096592117 860995317 /nfs/dbraw/zinc/99/53/17/860995317.db2.gz JMDDDLJWKJZELN-UHFFFAOYSA-N 1 1 393.505 3.574 50 0 GHAAMO COc1ccccc1Nc1ncccc1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172421946 863584083 /nfs/dbraw/zinc/58/40/83/863584083.db2.gz PXTFMCWJMKEQRV-UHFFFAOYSA-N 1 1 394.519 3.924 50 0 GHAAMO COc1cc(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc(OC)c1OC ZINC000824519326 864062540 /nfs/dbraw/zinc/06/25/40/864062540.db2.gz ALJSEXOJMCHMKP-DENIHFKCSA-N 1 1 388.552 3.941 50 0 GHAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@@H](CNC(=O)Cc3cccs3)C2)cc1 ZINC000824646605 864099638 /nfs/dbraw/zinc/09/96/38/864099638.db2.gz BCCUKORHAPHIEA-XUYKHGSPSA-N 1 1 384.545 3.841 50 0 GHAAMO CC(=O)Nc1ccccc1SCC(=O)NC[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000827846368 865138283 /nfs/dbraw/zinc/13/82/83/865138283.db2.gz XUUUAOSHFIMTKH-QGZVFWFLSA-N 1 1 389.565 3.508 50 0 GHAAMO Cc1c[nH+]c(C[C@@H]2CCCN(C(=O)c3cccn3C)C2)n1Cc1ccc(F)cc1 ZINC000575317146 865990944 /nfs/dbraw/zinc/99/09/44/865990944.db2.gz BZXVJUALOCDFGN-IBGZPJMESA-N 1 1 394.494 3.812 50 0 GHAAMO Cc1ccc2ncc(C[N@H+]3CCC[C@H](CNC(=O)Nc4cccc(F)c4)C3)n2c1 ZINC000092709064 871830457 /nfs/dbraw/zinc/83/04/57/871830457.db2.gz FJRRNQLOPAECJV-QGZVFWFLSA-N 1 1 395.482 3.816 50 0 GHAAMO Cc1nn(C)c(Oc2cccnc2)c1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000093684290 892263924 /nfs/dbraw/zinc/26/39/24/892263924.db2.gz NQWODAKJJDTHQC-FQEVSTJZSA-N 1 1 392.503 3.955 50 0 GHAAMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cnc(-c2ccc3c(c2)CCO3)s1 ZINC000585083126 897069751 /nfs/dbraw/zinc/06/97/51/897069751.db2.gz PKLWGOJNYVBMGX-QGZVFWFLSA-N 1 1 385.533 3.691 50 0 GHAAMO CCN(C(=O)C[N@@H+](CC)[C@@H]1CCOC(C)(C)C1)c1nc2ccccc2s1 ZINC000585084869 897199791 /nfs/dbraw/zinc/19/97/91/897199791.db2.gz KPFRSGQXXZGHOA-OAHLLOKOSA-N 1 1 375.538 3.929 50 0 GHAAMO COc1cc(/C=C\C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC(C)C ZINC000096585383 914799939 /nfs/dbraw/zinc/79/99/39/914799939.db2.gz DIFTXIKTADBRRQ-SKIIKRCTSA-N 1 1 394.515 3.886 50 0 GHAAMO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](c3nccn3C)C3CC3)c2)cc1 ZINC000512903801 904565509 /nfs/dbraw/zinc/56/55/09/904565509.db2.gz HCHHFTSSRIWYAL-OAQYLSRUSA-N 1 1 390.487 3.922 50 0 GHAAMO COc1ccc(C[N@@H+](C)C[C@@H]2CC(=O)N(C(C)(C)C)C2)c2c(OC)cccc12 ZINC000952967907 904662857 /nfs/dbraw/zinc/66/28/57/904662857.db2.gz MEJJVASWPGZLMP-INIZCTEOSA-N 1 1 384.520 3.936 50 0 GHAAMO CC(C)C[N@H+]1CCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)C[C@H]1CCO ZINC000952981158 904665360 /nfs/dbraw/zinc/66/53/60/904665360.db2.gz RRCPRNMCVDELKB-CQSZACIVSA-N 1 1 392.849 3.524 50 0 GHAAMO COC(=O)c1ccc(-c2noc(C[N@H+]3CC[C@H](c4ccc(F)cc4)C3)n2)cc1 ZINC000020777368 919659890 /nfs/dbraw/zinc/65/98/90/919659890.db2.gz DYCYLLMWTWMEBA-KRWDZBQOSA-N 1 1 381.407 3.652 50 0 GHAAMO Cc1c(CN[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)c(=O)n(-c2ccccc2)n1C ZINC000020996765 919677125 /nfs/dbraw/zinc/67/71/25/919677125.db2.gz CGQWUHKCYTZNKC-OAQYLSRUSA-N 1 1 396.579 3.619 50 0 GHAAMO Cc1c(C[NH2+][C@@H]2CCCN(CC3CCCCC3)C2)c(=O)n(-c2ccccc2)n1C ZINC000020996765 919677144 /nfs/dbraw/zinc/67/71/44/919677144.db2.gz CGQWUHKCYTZNKC-OAQYLSRUSA-N 1 1 396.579 3.619 50 0 GHAAMO O=C(NCc1cccc(-c2cccnc2)c1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661034107 930490398 /nfs/dbraw/zinc/49/03/98/930490398.db2.gz MVTWIMREQIYJJH-OAQYLSRUSA-N 1 1 378.520 3.955 50 0 GHAAMO Cc1cccc(CN(Cc2ccccc2)C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000426409153 231216594 /nfs/dbraw/zinc/21/65/94/231216594.db2.gz VTYOTGXECALPSM-OAQYLSRUSA-N 1 1 380.536 3.832 50 0 GHAAMO CO[C@]12CC[N@@H+](CC(C)(C)N3CCCCC3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426552342 231241181 /nfs/dbraw/zinc/24/11/81/231241181.db2.gz OCAYYFYEDVNNNG-SXWKCWPCSA-N 1 1 387.568 3.737 50 0 GHAAMO CO[C@]12CCN(CC(C)(C)[NH+]3CCCCC3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426552342 231241185 /nfs/dbraw/zinc/24/11/85/231241185.db2.gz OCAYYFYEDVNNNG-SXWKCWPCSA-N 1 1 387.568 3.737 50 0 GHAAMO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CCn2ccc3cc(Cl)ccc32)CC1 ZINC000240902845 222720278 /nfs/dbraw/zinc/72/02/78/222720278.db2.gz IVTQBEBPAHBWTN-RTBURBONSA-N 1 1 388.987 3.785 50 0 GHAAMO CC[N@H+](CC(=O)NCc1cccs1)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000007788939 221012898 /nfs/dbraw/zinc/01/28/98/221012898.db2.gz SYVCZHJEJANNHA-UHFFFAOYSA-N 1 1 384.501 3.610 50 0 GHAAMO CC[N@@H+](CC(=O)NCc1cccs1)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000007788939 221012899 /nfs/dbraw/zinc/01/28/99/221012899.db2.gz SYVCZHJEJANNHA-UHFFFAOYSA-N 1 1 384.501 3.610 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009501264 221083166 /nfs/dbraw/zinc/08/31/66/221083166.db2.gz FEEUSTYVZQTIOK-SFHVURJKSA-N 1 1 397.563 3.617 50 0 GHAAMO OC[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+](Cc2cnn(-c3ccccc3F)c2)C1 ZINC000011812893 221126031 /nfs/dbraw/zinc/12/60/31/221126031.db2.gz CMFOUJMVEXPYGB-HSZRJFAPSA-N 1 1 397.469 3.968 50 0 GHAAMO COc1cccc(N2CCC([N@H+]3CCC[C@@](CO)(Cc4ccccc4)C3)CC2)c1 ZINC000011820710 221129371 /nfs/dbraw/zinc/12/93/71/221129371.db2.gz YLZIORBWAXDKRV-RUZDIDTESA-N 1 1 394.559 3.981 50 0 GHAAMO CCn1cc(C[N@H+]2CCC[C@@H](CNC(=O)c3cccc4ccccc43)C2)cn1 ZINC000011843609 221132109 /nfs/dbraw/zinc/13/21/09/221132109.db2.gz SAJBVTJJGWKVQO-SFHVURJKSA-N 1 1 376.504 3.698 50 0 GHAAMO CC[N@H+](CC(=O)Nc1ccc(OC)c(Cl)c1)Cc1ccc2c(c1)OCO2 ZINC000011351623 221114642 /nfs/dbraw/zinc/11/46/42/221114642.db2.gz VKMOXWGRKZLJQM-UHFFFAOYSA-N 1 1 376.840 3.538 50 0 GHAAMO CC[N@@H+](CC(=O)Nc1ccc(OC)c(Cl)c1)Cc1ccc2c(c1)OCO2 ZINC000011351623 221114646 /nfs/dbraw/zinc/11/46/46/221114646.db2.gz VKMOXWGRKZLJQM-UHFFFAOYSA-N 1 1 376.840 3.538 50 0 GHAAMO COC(=O)c1sccc1NC(=O)C[N@@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000011508367 221116251 /nfs/dbraw/zinc/11/62/51/221116251.db2.gz IYAMEKASIWTHRH-UHFFFAOYSA-N 1 1 376.522 3.621 50 0 GHAAMO CN(Cc1ccccn1)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011668015 221120115 /nfs/dbraw/zinc/12/01/15/221120115.db2.gz ARYAXZHRYPXLKK-QHCPKHFHSA-N 1 1 397.563 3.718 50 0 GHAAMO CN(C(=O)CSc1ccncc1)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012304456 221178509 /nfs/dbraw/zinc/17/85/09/221178509.db2.gz JNAIMBUWDHDEPY-HXUWFJFHSA-N 1 1 383.561 3.729 50 0 GHAAMO Cn1cc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012315288 221180005 /nfs/dbraw/zinc/18/00/05/221180005.db2.gz WXNICMUSOMAZTI-HXUWFJFHSA-N 1 1 380.536 3.832 50 0 GHAAMO Cc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(C)c1 ZINC000012325951 221182483 /nfs/dbraw/zinc/18/24/83/221182483.db2.gz INTTURBYVKMSMI-OAQYLSRUSA-N 1 1 393.531 3.613 50 0 GHAAMO O=C(CCCc1ccc(F)cc1)N[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012438488 221194900 /nfs/dbraw/zinc/19/49/00/221194900.db2.gz IALAQHYXQNAIPW-QFIPXVFZSA-N 1 1 380.507 3.896 50 0 GHAAMO C[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(Cl)s1 ZINC000012527035 221202891 /nfs/dbraw/zinc/20/28/91/221202891.db2.gz MLRUBMRHRDNJHH-UHFFFAOYSA-N 1 1 393.940 3.699 50 0 GHAAMO CCn1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012593114 221211046 /nfs/dbraw/zinc/21/10/46/221211046.db2.gz PBUKVWGFXWDBRA-SFHVURJKSA-N 1 1 388.943 3.583 50 0 GHAAMO CCc1ccc(C[N@H+]2CCC[C@H](CNC(=O)c3cccc(OC)c3OC)C2)o1 ZINC000012702334 221219318 /nfs/dbraw/zinc/21/93/18/221219318.db2.gz CEECTNLUZIKOLR-MRXNPFEDSA-N 1 1 386.492 3.501 50 0 GHAAMO COCCN(Cc1cnc(C)s1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012711851 221219735 /nfs/dbraw/zinc/21/97/35/221219735.db2.gz IDYHSCZQUCNEGD-IBGZPJMESA-N 1 1 399.604 3.779 50 0 GHAAMO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000012727167 221220374 /nfs/dbraw/zinc/22/03/74/221220374.db2.gz QJBYDMMGFHPXAQ-QGWWYQLQSA-N 1 1 384.973 3.907 50 0 GHAAMO C/C(=C\c1ccco1)C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000012758017 221227312 /nfs/dbraw/zinc/22/73/12/221227312.db2.gz PXLZMQYBIIBQSS-BRVCPTFNSA-N 1 1 382.460 3.554 50 0 GHAAMO CNC(=O)c1ccc(NC(=O)C[N@H+]2CCCCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000012795493 221232310 /nfs/dbraw/zinc/23/23/10/221232310.db2.gz FSINUSXNMHAMBO-NRFANRHFSA-N 1 1 395.503 3.611 50 0 GHAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000012971587 221249734 /nfs/dbraw/zinc/24/97/34/221249734.db2.gz ARIWLJUERVTYDY-MGPUTAFESA-N 1 1 386.467 3.857 50 0 GHAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000012971587 221249739 /nfs/dbraw/zinc/24/97/39/221249739.db2.gz ARIWLJUERVTYDY-MGPUTAFESA-N 1 1 386.467 3.857 50 0 GHAAMO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1F ZINC000012981769 221252446 /nfs/dbraw/zinc/25/24/46/221252446.db2.gz CVKUCIZRZWMEFI-INIZCTEOSA-N 1 1 383.467 3.812 50 0 GHAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccccc2F)c(OC)c1 ZINC000012987180 221252871 /nfs/dbraw/zinc/25/28/71/221252871.db2.gz VBCJVHLLXMZRFK-HXUWFJFHSA-N 1 1 386.467 3.638 50 0 GHAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccccc2F)c(OC)c1 ZINC000012987180 221252875 /nfs/dbraw/zinc/25/28/75/221252875.db2.gz VBCJVHLLXMZRFK-HXUWFJFHSA-N 1 1 386.467 3.638 50 0 GHAAMO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(C)nn2-c2ccccc2C)cc1 ZINC000012998579 221254325 /nfs/dbraw/zinc/25/43/25/221254325.db2.gz JNUHBQPTCGJVGJ-UHFFFAOYSA-N 1 1 378.476 3.568 50 0 GHAAMO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(C)nn2-c2ccccc2C)cc1 ZINC000012998579 221254328 /nfs/dbraw/zinc/25/43/28/221254328.db2.gz JNUHBQPTCGJVGJ-UHFFFAOYSA-N 1 1 378.476 3.568 50 0 GHAAMO O=C(CC[NH2+][C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)N1CCCC1 ZINC000014121569 221300062 /nfs/dbraw/zinc/30/00/62/221300062.db2.gz IUHNHGHUYYDKKK-QFIPXVFZSA-N 1 1 375.472 3.694 50 0 GHAAMO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)N1CCc2ccccc21 ZINC000014183610 221302197 /nfs/dbraw/zinc/30/21/97/221302197.db2.gz XKTGELOMLAYMIQ-IBGZPJMESA-N 1 1 377.532 3.740 50 0 GHAAMO C[C@@H]1CCCC[C@@]12NC(=O)N(C[NH+]1CCC(CCc3ccccc3)CC1)C2=O ZINC000014201600 221304474 /nfs/dbraw/zinc/30/44/74/221304474.db2.gz SNKMDNGSRAIBSX-WZONZLPQSA-N 1 1 383.536 3.789 50 0 GHAAMO C[C@H](CNC(=O)c1ccncc1)Oc1cccc(C[N@@H+](C)Cc2cccs2)c1 ZINC000014985866 221324684 /nfs/dbraw/zinc/32/46/84/221324684.db2.gz APTKCPBNNSFBIS-QGZVFWFLSA-N 1 1 395.528 3.972 50 0 GHAAMO C[C@H](CNC(=O)c1ccncc1)Oc1cccc(C[N@@H+](C)Cc2ccsc2)c1 ZINC000015005594 221326072 /nfs/dbraw/zinc/32/60/72/221326072.db2.gz ULCWMWIUBLSTMP-QGZVFWFLSA-N 1 1 395.528 3.972 50 0 GHAAMO O=C1N(C2CCCC2)C[C@@H]2C[C@@H](c3cccn3-c3cccnc3)[N@H+]3CCC[C@@]123 ZINC000015065961 221328964 /nfs/dbraw/zinc/32/89/64/221328964.db2.gz TWJDZVPRXOGBGO-HYVJGQCMSA-N 1 1 376.504 3.553 50 0 GHAAMO CCOC(=O)[C@@]1(CCOC)CCC[N@@H+](Cc2cccc(-n3nc(C)cc3C)c2)C1 ZINC000015068898 221330122 /nfs/dbraw/zinc/33/01/22/221330122.db2.gz YNMMSJWPNMSUJH-HSZRJFAPSA-N 1 1 399.535 3.671 50 0 GHAAMO COc1cc(C)ccc1C[N@H+]1CC[C@]2(OC)CC[C@H](Oc3ccccn3)C[C@H]12 ZINC000426361709 533654410 /nfs/dbraw/zinc/65/44/10/533654410.db2.gz OHUZIMFYVBFWRZ-IEIRFRATSA-N 1 1 382.504 3.990 50 0 GHAAMO CC[N@H+](CC(=O)Nc1ccc(F)c(F)c1)CC1CCN(c2ccccn2)CC1 ZINC000072305294 136168008 /nfs/dbraw/zinc/16/80/08/136168008.db2.gz KIKOWCIDNNSHDS-UHFFFAOYSA-N 1 1 388.462 3.537 50 0 GHAAMO Cc1c(C[N@H+]2CCCC23CCN(c2ccc4ncccc4c2)CC3)cnn1C ZINC000072474415 136171229 /nfs/dbraw/zinc/17/12/29/136171229.db2.gz MVCGLIZHPMKXGZ-UHFFFAOYSA-N 1 1 375.520 3.912 50 0 GHAAMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cn(CCC(N)=O)c2ccccc12 ZINC000055119261 222015479 /nfs/dbraw/zinc/01/54/79/222015479.db2.gz AEVOFQAOSYFODX-NRFANRHFSA-N 1 1 377.488 3.862 50 0 GHAAMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1cn(CCC(N)=O)c2ccccc12 ZINC000055119263 222016057 /nfs/dbraw/zinc/01/60/57/222016057.db2.gz AEVOFQAOSYFODX-OAQYLSRUSA-N 1 1 377.488 3.862 50 0 GHAAMO O=C(NCc1cc(Br)cs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000059322657 222055865 /nfs/dbraw/zinc/05/58/65/222055865.db2.gz UGLUMQVRVVRDAI-UHFFFAOYSA-N 1 1 394.338 3.538 50 0 GHAAMO CCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(CC)sc2n1 ZINC000064666253 222078458 /nfs/dbraw/zinc/07/84/58/222078458.db2.gz IHSBSZOYODXYHE-UHFFFAOYSA-N 1 1 376.913 3.779 50 0 GHAAMO COc1ccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1CN1CCOCC1 ZINC000064984435 222092332 /nfs/dbraw/zinc/09/23/32/222092332.db2.gz WBVNFKUPGQMYSR-NRFANRHFSA-N 1 1 399.535 3.976 50 0 GHAAMO Cc1ccsc1[C@@H]1CC[N@H+](C2CCN(C(=O)c3ccccc3)CC2)C[C@H]1O ZINC000065383944 222126055 /nfs/dbraw/zinc/12/60/55/222126055.db2.gz UJPZJFXXXKZVLJ-WOJBJXKFSA-N 1 1 384.545 3.512 50 0 GHAAMO COCC[N@H+]1CC[C@H](Cn2cnc(-c3ccccc3)c2-c2cnn(C(C)C)c2)C1 ZINC000065382372 222126474 /nfs/dbraw/zinc/12/64/74/222126474.db2.gz MELRGAIQGKEQNU-IBGZPJMESA-N 1 1 393.535 3.963 50 0 GHAAMO CC(C)(C)n1cc(C2=CC[N@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)cn1 ZINC000065372082 222127202 /nfs/dbraw/zinc/12/72/02/222127202.db2.gz SHMKFKZBEHHTEC-UHFFFAOYSA-N 1 1 397.910 3.589 50 0 GHAAMO CC(C)(C)n1cc(C2=CC[N@@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)cn1 ZINC000065372082 222127206 /nfs/dbraw/zinc/12/72/06/222127206.db2.gz SHMKFKZBEHHTEC-UHFFFAOYSA-N 1 1 397.910 3.589 50 0 GHAAMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000065760795 222135453 /nfs/dbraw/zinc/13/54/53/222135453.db2.gz ONNHNLNWPYAMJC-XHSDSOJGSA-N 1 1 393.369 3.963 50 0 GHAAMO CC(C)[C@@H]1CN(C(=O)c2c[nH]nc2-c2cccc(F)c2)CCC[N@H+]1CC1CC1 ZINC000071749979 222190134 /nfs/dbraw/zinc/19/01/34/222190134.db2.gz FLHNORAWRGIYDE-FQEVSTJZSA-N 1 1 384.499 3.798 50 0 GHAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2CCC[C@H](C)CC2)nc1 ZINC000067650257 222152030 /nfs/dbraw/zinc/15/20/30/222152030.db2.gz RBZYUNCKPFCUEE-SFHVURJKSA-N 1 1 383.540 3.848 50 0 GHAAMO COCC[N@@H+](Cc1sccc1C)C[C@@]1(c2cccc(OC)c2)CCOC1 ZINC000067697392 222155987 /nfs/dbraw/zinc/15/59/87/222155987.db2.gz WCGACBAINZQRLE-NRFANRHFSA-N 1 1 375.534 3.872 50 0 GHAAMO Cc1cccc(-c2c[nH]nc2C2CCN(c3cncc(C[NH+](C)C)n3)CC2)c1 ZINC000067816903 222160637 /nfs/dbraw/zinc/16/06/37/222160637.db2.gz BAHDFVIAUPAMDL-UHFFFAOYSA-N 1 1 376.508 3.621 50 0 GHAAMO COc1ccc(CC2(CO)CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000067885587 222165098 /nfs/dbraw/zinc/16/50/98/222165098.db2.gz CAKKPFOZXAXAQX-UHFFFAOYSA-N 1 1 393.487 3.562 50 0 GHAAMO O=C1C[C@@H](c2ccccc2)[N@H+](CCOc2ccc(Cl)cc2Cl)CCN1 ZINC000069393299 222173565 /nfs/dbraw/zinc/17/35/65/222173565.db2.gz IYHQSQPJGNMKBW-KRWDZBQOSA-N 1 1 379.287 3.935 50 0 GHAAMO O=C1C[C@@H](c2ccccc2)[N@@H+](CCOc2ccc(Cl)cc2Cl)CCN1 ZINC000069393299 222173568 /nfs/dbraw/zinc/17/35/68/222173568.db2.gz IYHQSQPJGNMKBW-KRWDZBQOSA-N 1 1 379.287 3.935 50 0 GHAAMO CCn1ncc(C[N@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c1C ZINC000071552233 222186072 /nfs/dbraw/zinc/18/60/72/222186072.db2.gz QKVJLORTPHGNPZ-OAQYLSRUSA-N 1 1 386.515 3.610 50 0 GHAAMO CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)cc1 ZINC000071759661 222194029 /nfs/dbraw/zinc/19/40/29/222194029.db2.gz HMEWYQWRFPQKQU-SFHVURJKSA-N 1 1 390.524 3.579 50 0 GHAAMO CCc1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)cn1 ZINC000071779995 222197097 /nfs/dbraw/zinc/19/70/97/222197097.db2.gz LEXIFKWDIKTXSQ-FQEVSTJZSA-N 1 1 384.499 3.551 50 0 GHAAMO CCCc1ncc(C[N@H+]2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000072122609 222208116 /nfs/dbraw/zinc/20/81/16/222208116.db2.gz VFSNDXUZEYFGLM-QPTUXGOLSA-N 1 1 376.548 3.800 50 0 GHAAMO CCCc1ncc(CN2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000072122609 222208119 /nfs/dbraw/zinc/20/81/19/222208119.db2.gz VFSNDXUZEYFGLM-QPTUXGOLSA-N 1 1 376.548 3.800 50 0 GHAAMO CCc1cc(N[C@@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)n2nc(C)c(C)c2n1 ZINC000072480502 222266286 /nfs/dbraw/zinc/26/62/86/222266286.db2.gz VGBZMBMTZCYBPG-LJQANCHMSA-N 1 1 379.508 3.691 50 0 GHAAMO Cc1c2ccccc2[nH]c1C(=O)N1CCC[C@H]([N@@H+](C)CCc2ccccn2)C1 ZINC000072173958 222217137 /nfs/dbraw/zinc/21/71/37/222217137.db2.gz SPZFEBCEOFJMAD-IBGZPJMESA-N 1 1 376.504 3.650 50 0 GHAAMO CC[N@H+](C)CC(=O)Nc1nn(Cc2ccccc2)c2cccc(OC(C)C)c12 ZINC000072409777 222255519 /nfs/dbraw/zinc/25/55/19/222255519.db2.gz OYQNQSIUJSWUNM-UHFFFAOYSA-N 1 1 380.492 3.762 50 0 GHAAMO CC[N@@H+](C)CC(=O)Nc1nn(Cc2ccccc2)c2cccc(OC(C)C)c12 ZINC000072409777 222255522 /nfs/dbraw/zinc/25/55/22/222255522.db2.gz OYQNQSIUJSWUNM-UHFFFAOYSA-N 1 1 380.492 3.762 50 0 GHAAMO COc1ccc(-c2nn(-c3ccccc3F)cc2CN2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000072428816 222258738 /nfs/dbraw/zinc/25/87/38/222258738.db2.gz BQVDEEHDBHKWGH-QGZVFWFLSA-N 1 1 394.494 3.823 50 0 GHAAMO Cc1cc2c(cccc2NC(=O)NCC[N@H+]2CC[C@@H](c3ccccc3)C2)nn1 ZINC000095505084 222338377 /nfs/dbraw/zinc/33/83/77/222338377.db2.gz ZRBQSIRSTWIKGU-GOSISDBHSA-N 1 1 375.476 3.549 50 0 GHAAMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@H](c2n[nH]cc2-c2ccc(C)cc2)C1 ZINC000077322275 222276946 /nfs/dbraw/zinc/27/69/46/222276946.db2.gz ZAPFZFNCDKHHLJ-IBGZPJMESA-N 1 1 377.492 3.686 50 0 GHAAMO CCOC(=O)c1coc(N2CCC[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000077505231 222284443 /nfs/dbraw/zinc/28/44/43/222284443.db2.gz BXMFYNPBGASJCB-QFIPXVFZSA-N 1 1 383.492 3.734 50 0 GHAAMO CC(=O)c1cn(CCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc12 ZINC000079188423 222304771 /nfs/dbraw/zinc/30/47/71/222304771.db2.gz KSVCYGODNLHXNU-GHTZIAJQSA-N 1 1 381.520 3.615 50 0 biogenic GHAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)C(=O)c3cc(C)n(C)c3C)C2)cc1 ZINC000095526293 222350033 /nfs/dbraw/zinc/35/00/33/222350033.db2.gz QWOICHLEYQNIBL-NRFANRHFSA-N 1 1 397.563 3.677 50 0 GHAAMO Cn1ccnc1COc1ccc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)cc1 ZINC000095959700 222366038 /nfs/dbraw/zinc/36/60/38/222366038.db2.gz UUHCTHKGHUTXGR-QHCPKHFHSA-N 1 1 391.515 3.871 50 0 GHAAMO CCCCc1nc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C)C3)c[nH]1 ZINC000096165430 222394642 /nfs/dbraw/zinc/39/46/42/222394642.db2.gz IIVAVEKIVZACPX-NRFANRHFSA-N 1 1 394.563 3.980 50 0 GHAAMO COc1cccc2cc(/C=C\C(=O)N3CC[NH+](Cc4ccccc4)CC3)oc21 ZINC000096939863 222432788 /nfs/dbraw/zinc/43/27/88/222432788.db2.gz ABJKGABDAVRCHB-KHPPLWFESA-N 1 1 376.456 3.799 50 0 GHAAMO C[N@@H+](Cc1ccsc1)Cc1ccccc1-c1nc([C@@H]2CCCO2)cc(=O)[nH]1 ZINC000023153427 523486625 /nfs/dbraw/zinc/48/66/25/523486625.db2.gz PBAULHZWCRIKQJ-IBGZPJMESA-N 1 1 381.501 3.982 50 0 GHAAMO CCc1cc(=O)[nH]c(-c2ccccc2C[N@H+]2CCCC[C@@H]2CCn2ccnc2)n1 ZINC000023505403 523738841 /nfs/dbraw/zinc/73/88/41/523738841.db2.gz ANQYVXHZYLRICN-HXUWFJFHSA-N 1 1 391.519 3.641 50 0 GHAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3C)C2)CC1 ZINC000019772211 570218036 /nfs/dbraw/zinc/21/80/36/570218036.db2.gz SKOCAYYXIZTJJO-JOCHJYFZSA-N 1 1 379.548 3.790 50 0 GHAAMO Fc1cc(F)cc(-c2n[nH]c3c2C[N@H+]([C@@H]2CCN(c4ccccc4)C2)CC3)c1 ZINC000019791293 570219542 /nfs/dbraw/zinc/21/95/42/570219542.db2.gz LJFMGFMANYSNQS-LJQANCHMSA-N 1 1 380.442 3.992 50 0 GHAAMO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000048255550 570223899 /nfs/dbraw/zinc/22/38/99/570223899.db2.gz RHGHXSYTVPDIHB-FQEVSTJZSA-N 1 1 394.519 3.986 50 0 GHAAMO COc1ccccc1-c1ncc(C[N@@H+]2CCC[C@@H]2c2ccc(C(N)=O)s2)cn1 ZINC000096879096 570232913 /nfs/dbraw/zinc/23/29/13/570232913.db2.gz FBBWUKKILRNXLL-MRXNPFEDSA-N 1 1 394.500 3.650 50 0 GHAAMO COc1ccccc1-c1ncc(C[N@H+]2CCC[C@@H]2c2ccc(C(N)=O)s2)cn1 ZINC000096879096 570232915 /nfs/dbraw/zinc/23/29/15/570232915.db2.gz FBBWUKKILRNXLL-MRXNPFEDSA-N 1 1 394.500 3.650 50 0 GHAAMO O=C(C[N@H+](Cc1ccco1)C1CCCC1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000048368659 570248458 /nfs/dbraw/zinc/24/84/58/570248458.db2.gz GJDLOFWTNPQFIE-UHFFFAOYSA-N 1 1 381.476 3.555 50 0 GHAAMO O=C(C[N@@H+](Cc1ccco1)C1CCCC1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000048368659 570248462 /nfs/dbraw/zinc/24/84/62/570248462.db2.gz GJDLOFWTNPQFIE-UHFFFAOYSA-N 1 1 381.476 3.555 50 0 GHAAMO CC[N@H+]1CCc2ncnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)c2C1 ZINC000049401009 570263801 /nfs/dbraw/zinc/26/38/01/570263801.db2.gz QZBLAPPNYQPZQH-UHFFFAOYSA-N 1 1 396.438 3.604 50 0 GHAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000012861616 570268472 /nfs/dbraw/zinc/26/84/72/570268472.db2.gz FBJLWCGPRVQYMX-NRFANRHFSA-N 1 1 380.469 3.837 50 0 GHAAMO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1ccc(OC)c(CN2CCOCC2)c1 ZINC000021720769 570294987 /nfs/dbraw/zinc/29/49/87/570294987.db2.gz WMXQJQJFMUZTAS-HXUWFJFHSA-N 1 1 399.535 3.723 50 0 GHAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)C1 ZINC000248755644 570296131 /nfs/dbraw/zinc/29/61/31/570296131.db2.gz IMCMANOKBOVGNL-AGQFNQOXSA-N 1 1 382.548 3.930 50 0 GHAAMO CCO[C@@H](CN1CC[NH+](C[C@@H](C)C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000022033882 570302692 /nfs/dbraw/zinc/30/26/92/570302692.db2.gz BSHWLCACYCVCJE-OFNKIYASSA-N 1 1 380.532 3.901 50 0 world GHAAMO C[C@H]1CCCC[N@H+]1CCN(C)Cc1cccc(-c2nc(C(F)F)cc(=O)[nH]2)c1 ZINC000023581851 570326999 /nfs/dbraw/zinc/32/69/99/570326999.db2.gz VSDOPKKOCNLQQQ-HNNXBMFYSA-N 1 1 390.478 3.681 50 0 GHAAMO COc1ccccc1NC(=O)CC[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000022930967 570336701 /nfs/dbraw/zinc/33/67/01/570336701.db2.gz TUVRULCTYNYTLF-UHFFFAOYSA-N 1 1 393.940 3.557 50 0 GHAAMO Cc1cc2oc(=O)cc(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2cc1Cl ZINC000023127132 570345189 /nfs/dbraw/zinc/34/51/89/570345189.db2.gz ADLODLYFZNNLGR-ZBFHGGJFSA-N 1 1 396.874 3.536 50 0 GHAAMO C[N@H+](CCOc1ccccc1)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000024864470 570396676 /nfs/dbraw/zinc/39/66/76/570396676.db2.gz CLYPIVYKSAFZCR-UHFFFAOYSA-N 1 1 390.487 3.699 50 0 GHAAMO C[N@@H+](CCOc1ccccc1)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000024864470 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CSc1nc(C(=O)N(C)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)cs1 ZINC000011817029 570584312 /nfs/dbraw/zinc/58/43/12/570584312.db2.gz ZDAYUHIHETYGAP-INIZCTEOSA-N 1 1 375.563 3.644 50 0 GHAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(C)s3)C[C@H]2CCO)c(C)c1C ZINC000039399329 570590636 /nfs/dbraw/zinc/59/06/36/570590636.db2.gz DUSPJQIGVVLSAG-HXUWFJFHSA-N 1 1 388.577 3.751 50 0 GHAAMO COc1ccc(C[N@@H+]2CCN(Cc3ccc(C)s3)C[C@H]2CCO)c(C)c1C ZINC000039399329 570590639 /nfs/dbraw/zinc/59/06/39/570590639.db2.gz DUSPJQIGVVLSAG-HXUWFJFHSA-N 1 1 388.577 3.751 50 0 GHAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(C)s3)C[C@H]2CCO)c(C)c1C ZINC000039399329 570590640 /nfs/dbraw/zinc/59/06/40/570590640.db2.gz DUSPJQIGVVLSAG-HXUWFJFHSA-N 1 1 388.577 3.751 50 0 GHAAMO CC(C)Oc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)cc1 ZINC000039442388 570591463 /nfs/dbraw/zinc/59/14/63/570591463.db2.gz WPIRZRZDFZQBRO-JOCHJYFZSA-N 1 1 386.511 3.682 50 0 GHAAMO CC(C)Oc1ccc(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)cc1 ZINC000039442388 570591464 /nfs/dbraw/zinc/59/14/64/570591464.db2.gz WPIRZRZDFZQBRO-JOCHJYFZSA-N 1 1 386.511 3.682 50 0 GHAAMO C[N@H+](Cc1ccco1)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006809614 570611897 /nfs/dbraw/zinc/61/18/97/570611897.db2.gz HEKDZDYIDPZFMW-ROUUACIJSA-N 1 1 382.913 3.655 50 0 GHAAMO C[N@@H+](Cc1ccco1)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006809614 570611901 /nfs/dbraw/zinc/61/19/01/570611901.db2.gz HEKDZDYIDPZFMW-ROUUACIJSA-N 1 1 382.913 3.655 50 0 GHAAMO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000036389740 570670989 /nfs/dbraw/zinc/67/09/89/570670989.db2.gz SEOZXBYPFJRBGM-FPOVZHCZSA-N 1 1 380.488 3.950 50 0 GHAAMO CCOC(=O)[C@H]1CCC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000036389740 570670992 /nfs/dbraw/zinc/67/09/92/570670992.db2.gz SEOZXBYPFJRBGM-FPOVZHCZSA-N 1 1 380.488 3.950 50 0 GHAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C1)N1CCCC1 ZINC000012475015 570673690 /nfs/dbraw/zinc/67/36/90/570673690.db2.gz JUSYPLHGPSEFIZ-LJQANCHMSA-N 1 1 394.519 3.884 50 0 GHAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1cccnc1 ZINC000055545156 570696708 /nfs/dbraw/zinc/69/67/08/570696708.db2.gz HTXZDFZLQDIUDL-UHFFFAOYSA-N 1 1 390.462 3.795 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000025065406 570711767 /nfs/dbraw/zinc/71/17/67/570711767.db2.gz UCUFHZATSOSPAI-LSDHHAIUSA-N 1 1 387.430 3.643 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000025065406 570711770 /nfs/dbraw/zinc/71/17/70/570711770.db2.gz UCUFHZATSOSPAI-LSDHHAIUSA-N 1 1 387.430 3.643 50 0 GHAAMO CCCc1noc(-c2cccnc2N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000065257933 570758998 /nfs/dbraw/zinc/75/89/98/570758998.db2.gz JENNRSYBUVRBMV-UHFFFAOYSA-N 1 1 395.482 3.936 50 0 GHAAMO C[N@@H+](CCNC(=O)c1cn2ccnc(-c3ccc(F)cc3)c2n1)C1CCCCC1 ZINC000065274535 570776819 /nfs/dbraw/zinc/77/68/19/570776819.db2.gz VGHVGWUHAJOWGN-UHFFFAOYSA-N 1 1 395.482 3.530 50 0 GHAAMO O=C(NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)c1ccccc1C(F)(F)F 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C[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000032937014 570948842 /nfs/dbraw/zinc/94/88/42/570948842.db2.gz PVPLCQFSDIZFKO-HZPDHXFCSA-N 1 1 385.533 3.880 50 0 GHAAMO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000047539702 570964156 /nfs/dbraw/zinc/96/41/56/570964156.db2.gz VMFUAAZCZUIOGG-MRXNPFEDSA-N 1 1 375.513 3.620 50 0 GHAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cccc4ncccc43)CC2)cc1 ZINC000023245928 570992099 /nfs/dbraw/zinc/99/20/99/570992099.db2.gz ZXYNLXQSQHMJBC-UHFFFAOYSA-N 1 1 375.472 3.592 50 0 GHAAMO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012751679 571004312 /nfs/dbraw/zinc/00/43/12/571004312.db2.gz IVDCSDAKMREXTQ-QGZVFWFLSA-N 1 1 395.503 3.687 50 0 GHAAMO COc1ccc(C[N@H+](Cc2cc(=O)n3ccc(C)cc3n2)CC(C)C)cc1OC ZINC000045974091 571007037 /nfs/dbraw/zinc/00/70/37/571007037.db2.gz WTEOFZVEEOFQAB-UHFFFAOYSA-N 1 1 395.503 3.678 50 0 GHAAMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2cnc(N(C)C)s2)C1 ZINC000019595471 571020855 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0 GHAAMO C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000254739563 861887470 /nfs/dbraw/zinc/88/74/70/861887470.db2.gz MXVPEPWJCVPQEY-SSGCMFDKSA-N 1 1 380.488 3.565 50 0 GHAAMO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)c2cn(C3CCCCCC3)nn2)C1 ZINC000012459185 862547840 /nfs/dbraw/zinc/54/78/40/862547840.db2.gz XCSOWTMKWSOONZ-IBGZPJMESA-N 1 1 395.551 3.701 50 0 GHAAMO CC[NH+]1CCN(C(=O)c2c(C)c(-c3ccc(OC)cc3)nc3ccccc32)CC1 ZINC000055080802 856594443 /nfs/dbraw/zinc/59/44/43/856594443.db2.gz WAHUWOOBRBEOTD-UHFFFAOYSA-N 1 1 389.499 3.997 50 0 GHAAMO O=C(c1cc(F)ccc1Br)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000040089156 856655070 /nfs/dbraw/zinc/65/50/70/856655070.db2.gz DAUHFDDKCNPNIZ-UHFFFAOYSA-N 1 1 397.313 3.998 50 0 GHAAMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)CCCc3ccccc3)cc2)C[C@H](C)O1 ZINC000040106931 856664154 /nfs/dbraw/zinc/66/41/54/856664154.db2.gz OCNWPNWYJCCDAI-BGYRXZFFSA-N 1 1 380.532 3.935 50 0 GHAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)CC1 ZINC000040107958 856665348 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50 0 GHAAMO O=C(c1ccccc1OC[C@@H]1CCC[N@@H+](Cc2nccs2)C1)N1CCCC1 ZINC000169765193 859745772 /nfs/dbraw/zinc/74/57/72/859745772.db2.gz OMGBCHZIXLZYRV-QGZVFWFLSA-N 1 1 385.533 3.670 50 0 GHAAMO Cc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000020513007 859956593 /nfs/dbraw/zinc/95/65/93/859956593.db2.gz QIIMWLMOWKZBEF-ZDPZECHZSA-N 1 1 395.890 3.919 50 0 GHAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000019880323 860420715 /nfs/dbraw/zinc/42/07/15/860420715.db2.gz RRAZNDSVYZANGP-UHFFFAOYSA-N 1 1 378.303 3.750 50 0 GHAAMO COc1cccc(C[N@@H+]2CCc3nc(Nc4ccc(F)cc4)ncc3C2)c1OC ZINC000021038899 860702576 /nfs/dbraw/zinc/70/25/76/860702576.db2.gz JOCYZPGWZIOYBT-UHFFFAOYSA-N 1 1 394.450 3.935 50 0 GHAAMO COc1cccc(C[N@H+]2CCc3nc(Nc4ccc(F)cc4)ncc3C2)c1OC ZINC000021038899 860702588 /nfs/dbraw/zinc/70/25/88/860702588.db2.gz JOCYZPGWZIOYBT-UHFFFAOYSA-N 1 1 394.450 3.935 50 0 GHAAMO Fc1cccc(F)c1-n1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)n1 ZINC000155174673 881600641 /nfs/dbraw/zinc/60/06/41/881600641.db2.gz VHJGXVMPWRPDEJ-GOSISDBHSA-N 1 1 391.462 3.701 50 0 GHAAMO Cc1ccc([C@H](C(=O)N(C)Cc2nccn2Cc2ccccc2)[NH+](C)C)cc1 ZINC000823646286 863135599 /nfs/dbraw/zinc/13/55/99/863135599.db2.gz JKDXVLHRTNCSBB-JOCHJYFZSA-N 1 1 376.504 3.501 50 0 GHAAMO Cc1ccc(-c2ccc(C(=O)N3CCC([N@H+](C)CCN(C)C)CC3)cc2)cc1 ZINC000823692160 863159691 /nfs/dbraw/zinc/15/96/91/863159691.db2.gz GWQXNVIJDMDNTH-UHFFFAOYSA-N 1 1 379.548 3.760 50 0 GHAAMO Cc1ccc(-c2ccc(C(=O)N3CCC(N(C)CC[NH+](C)C)CC3)cc2)cc1 ZINC000823692160 863159699 /nfs/dbraw/zinc/15/96/99/863159699.db2.gz GWQXNVIJDMDNTH-UHFFFAOYSA-N 1 1 379.548 3.760 50 0 GHAAMO COCCc1noc([C@@H]2CCC[N@@H+](CC3=Cc4cc(Cl)ccc4OC3)C2)n1 ZINC000824462509 864051291 /nfs/dbraw/zinc/05/12/91/864051291.db2.gz WOVCXJPUNIIHOF-OAHLLOKOSA-N 1 1 389.883 3.567 50 0 GHAAMO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+]C(C)(C)c2nc(C)c(C)s2)cc1 ZINC000173953491 865248443 /nfs/dbraw/zinc/24/84/43/865248443.db2.gz YQQYFKCJDIDBNL-SFHVURJKSA-N 1 1 387.549 3.957 50 0 GHAAMO Cc1cccc(NC(=O)N2CC([N@@H+](Cc3ccccc3)C3CCOCC3)C2)c1 ZINC000575315190 865975394 /nfs/dbraw/zinc/97/53/94/865975394.db2.gz NUBYNAHMWNZOAH-UHFFFAOYSA-N 1 1 379.504 3.892 50 0 GHAAMO C[NH+](C)[C@@H](CNC(=O)/C=C/c1cnn(-c2ccccc2)c1)c1ccccc1Cl ZINC000029930090 875682295 /nfs/dbraw/zinc/68/22/95/875682295.db2.gz KHBMENUXVJIRHX-IWGBCORSSA-N 1 1 394.906 3.958 50 0 GHAAMO Cc1cc(C[N@H+](CC2CCOCC2)[C@H](C)c2cccnc2)ccc1-n1cncn1 ZINC000952846111 904627833 /nfs/dbraw/zinc/62/78/33/904627833.db2.gz CHHSHSZOBOZISI-LJQANCHMSA-N 1 1 391.519 3.961 50 0 GHAAMO COc1cccc(-c2ncc(C[NH+]3CCN(c4ncnc(C)c4C)CC3)s2)c1 ZINC000952976502 904656217 /nfs/dbraw/zinc/65/62/17/904656217.db2.gz SKKSJQSWXCRXLY-UHFFFAOYSA-N 1 1 395.532 3.548 50 0 GHAAMO C[C@H](O)c1nc2ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cc2[nH]1 ZINC000952980101 904660961 /nfs/dbraw/zinc/66/09/61/904660961.db2.gz HGSZVBGNRGMRPP-HNNXBMFYSA-N 1 1 378.476 3.854 50 0 GHAAMO COc1cccc(N2CCC([N@H+]3CCC[C@@H](C(=O)c4ccccn4)C3)CC2)c1 ZINC000952982891 904668360 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0 GHAAMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)N(Cc1ccccc1)C1CC1 ZINC000190841046 1020732580 /nfs/dbraw/zinc/73/25/80/1020732580.db2.gz DCCOVKYDQGRAPN-QHCPKHFHSA-N 1 1 393.531 3.652 50 0 GHAAMO Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](CC3CC3)CC23CCCCC3)c(C)c1 ZINC000409420745 1031405010 /nfs/dbraw/zinc/40/50/10/1031405010.db2.gz DCBDGWFLBMTBGQ-FQEVSTJZSA-N 1 1 390.593 3.874 50 0 GHAAMO O=C(NCc1ccc(O)cc1)N1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000426652124 231248779 /nfs/dbraw/zinc/24/87/79/231248779.db2.gz VXPDLGROSYFIFF-XMMPIXPASA-N 1 1 393.531 3.980 50 0 GHAAMO CN(Cc1ccc2c(c1)C[N@H+](C)C2)C(=O)NCc1ccc2c(c1)CC(C)(C)O2 ZINC000426373597 529991322 /nfs/dbraw/zinc/99/13/22/529991322.db2.gz JKLUBELWMCZWBF-UHFFFAOYSA-N 1 1 379.504 3.687 50 0 GHAAMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000000819215 212185907 /nfs/dbraw/zinc/18/59/07/212185907.db2.gz FKPSHCRYQCXQGT-OAHLLOKOSA-N 1 1 379.342 3.920 50 0 GHAAMO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000328595862 212083082 /nfs/dbraw/zinc/08/30/82/212083082.db2.gz HGFWRIJUVPSKQB-IBGZPJMESA-N 1 1 379.439 3.503 50 0 GHAAMO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccco1 ZINC000007803702 221012786 /nfs/dbraw/zinc/01/27/86/221012786.db2.gz QDDDTXTUBADNMD-KRWDZBQOSA-N 1 1 391.471 3.541 50 0 GHAAMO C[NH+]1CCN(c2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)CC1 ZINC000007643916 221004843 /nfs/dbraw/zinc/00/48/43/221004843.db2.gz ZTRNHTWTWLPBCO-UHFFFAOYSA-N 1 1 378.501 3.814 50 0 GHAAMO Cc1ccc(NC(=O)NC(=O)C[N@H+](C)CCOc2ccc(Cl)cc2)c(C)c1 ZINC000008120660 221027506 /nfs/dbraw/zinc/02/75/06/221027506.db2.gz IXHBWPKKOUKBBH-UHFFFAOYSA-N 1 1 389.883 3.616 50 0 GHAAMO Cc1ccc(NC(=O)NC(=O)C[N@@H+](C)CCOc2ccc(Cl)cc2)c(C)c1 ZINC000008120660 221027507 /nfs/dbraw/zinc/02/75/07/221027507.db2.gz IXHBWPKKOUKBBH-UHFFFAOYSA-N 1 1 389.883 3.616 50 0 GHAAMO Cc1[nH]c2c(cccc2C(=O)NCC[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c1C ZINC000011788910 221126855 /nfs/dbraw/zinc/12/68/55/221126855.db2.gz DCKVMJUPUIFDHM-HNNXBMFYSA-N 1 1 377.488 3.798 50 0 GHAAMO Cc1[nH]c2c(cccc2C(=O)NCC[N@H+]2Cc3ccccc3O[C@@H](C)C2)c1C ZINC000011788910 221126856 /nfs/dbraw/zinc/12/68/56/221126856.db2.gz DCKVMJUPUIFDHM-HNNXBMFYSA-N 1 1 377.488 3.798 50 0 GHAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](CCC(C)C)C2)c(OC)c1 ZINC000011841255 221131725 /nfs/dbraw/zinc/13/17/25/221131725.db2.gz YZHUFVWKTLVMCC-SFHVURJKSA-N 1 1 376.541 3.858 50 0 GHAAMO CN(C(=O)c1cc2sccc2[nH]1)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011844067 221132367 /nfs/dbraw/zinc/13/23/67/221132367.db2.gz IEEIQJQZWRFQEG-QGZVFWFLSA-N 1 1 379.529 3.933 50 0 GHAAMO CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2nccn2CC)C1 ZINC000011663998 221119799 /nfs/dbraw/zinc/11/97/99/221119799.db2.gz COQBRWUTTGMTHM-NRFANRHFSA-N 1 1 389.927 3.944 50 0 GHAAMO CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCC[N@@H+](Cc2nccn2CC)C1 ZINC000011663998 221119802 /nfs/dbraw/zinc/11/98/02/221119802.db2.gz COQBRWUTTGMTHM-NRFANRHFSA-N 1 1 389.927 3.944 50 0 GHAAMO CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2nccn2CC)C1 ZINC000011663999 221120136 /nfs/dbraw/zinc/12/01/36/221120136.db2.gz COQBRWUTTGMTHM-OAQYLSRUSA-N 1 1 389.927 3.944 50 0 GHAAMO CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCC[N@@H+](Cc2nccn2CC)C1 ZINC000011663999 221120140 /nfs/dbraw/zinc/12/01/40/221120140.db2.gz COQBRWUTTGMTHM-OAQYLSRUSA-N 1 1 389.927 3.944 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)/C=C/c4ccncc4)C3)C2)c1 ZINC000011938105 221138776 /nfs/dbraw/zinc/13/87/76/221138776.db2.gz DRQMIQOLEGQYLF-DGQXCUQSSA-N 1 1 391.515 3.618 50 0 GHAAMO Cc1ccn2cc(C(=O)N(C)[C@H]3CCC[N@@H+](CCCc4ccccc4)C3)nc2c1 ZINC000011936335 221139059 /nfs/dbraw/zinc/13/90/59/221139059.db2.gz OOXDOIBFNOUOMY-NRFANRHFSA-N 1 1 390.531 3.812 50 0 GHAAMO CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)CCC(=O)c2ccccc2)C1 ZINC000011937166 221139794 /nfs/dbraw/zinc/13/97/94/221139794.db2.gz ULNDBFBWFWYFRX-OAQYLSRUSA-N 1 1 379.504 3.558 50 0 GHAAMO Cc1n[nH]c(CCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)c1C ZINC000011935992 221139850 /nfs/dbraw/zinc/13/98/50/221139850.db2.gz SYPBDBBBTIJNRH-DEOSSOPVSA-N 1 1 394.563 3.516 50 0 GHAAMO Cc1[nH]nc(CCC(=O)N2CC[C@@]3(C2)CCC[N@H+](CCc2ccccc2)C3)c1C ZINC000011935992 221139852 /nfs/dbraw/zinc/13/98/52/221139852.db2.gz SYPBDBBBTIJNRH-DEOSSOPVSA-N 1 1 394.563 3.516 50 0 GHAAMO Cc1[nH]nc(CCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)c1C ZINC000011935992 221139854 /nfs/dbraw/zinc/13/98/54/221139854.db2.gz SYPBDBBBTIJNRH-DEOSSOPVSA-N 1 1 394.563 3.516 50 0 GHAAMO CCc1noc(C)c1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(C)c1)C2 ZINC000012022990 221142951 /nfs/dbraw/zinc/14/29/51/221142951.db2.gz CIMZFJNNFXJNGX-HSZRJFAPSA-N 1 1 381.520 3.982 50 0 GHAAMO COc1cc([C@@H]2C[C@H]3CN(C)C(=O)[C@]34CCC[N@@H+]24)ccc1OCc1ccccc1 ZINC000012053456 221145891 /nfs/dbraw/zinc/14/58/91/221145891.db2.gz XMRPTVOKOXCRHK-SKPFHBQLSA-N 1 1 392.499 3.642 50 0 GHAAMO Cc1ccn(CCC(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)n1 ZINC000012225494 221170383 /nfs/dbraw/zinc/17/03/83/221170383.db2.gz CVHPEUAFVXDSOL-HSZRJFAPSA-N 1 1 386.584 3.867 50 0 GHAAMO Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1C ZINC000012284526 221174519 /nfs/dbraw/zinc/17/45/19/221174519.db2.gz XIXNYMLXDHIEDG-CTNGQTDRSA-N 1 1 393.531 3.831 50 0 GHAAMO CC(C)N(C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000012284636 221174631 /nfs/dbraw/zinc/17/46/31/221174631.db2.gz VRGJDSYWDHBWIU-IBGZPJMESA-N 1 1 379.504 3.779 50 0 GHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2n[nH]c3ccccc32)C1 ZINC000012437960 221194102 /nfs/dbraw/zinc/19/41/02/221194102.db2.gz PDEBKDSMNRTKEQ-LJQANCHMSA-N 1 1 390.531 3.898 50 0 GHAAMO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2[nH]nc3ccccc32)C1 ZINC000012437960 221194103 /nfs/dbraw/zinc/19/41/03/221194103.db2.gz PDEBKDSMNRTKEQ-LJQANCHMSA-N 1 1 390.531 3.898 50 0 GHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2[nH]nc3ccccc32)C1 ZINC000012437960 221194105 /nfs/dbraw/zinc/19/41/05/221194105.db2.gz PDEBKDSMNRTKEQ-LJQANCHMSA-N 1 1 390.531 3.898 50 0 GHAAMO C[C@@H](NC(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1)C1CC1 ZINC000012469292 221198672 /nfs/dbraw/zinc/19/86/72/221198672.db2.gz UHYZRWDLDAJZMO-HXUWFJFHSA-N 1 1 397.607 3.710 50 0 GHAAMO CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCC[N@@H+](Cc2cnn(C)c2C)C1 ZINC000012705402 221218943 /nfs/dbraw/zinc/21/89/43/221218943.db2.gz DMHRLNLWFHSVMF-UJVYDMDKSA-N 1 1 381.520 3.977 50 0 GHAAMO CCn1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cc(Cl)ccc3OC)C2)c(C)n1 ZINC000012714244 221221764 /nfs/dbraw/zinc/22/17/64/221221764.db2.gz CZXCKUDUPFGUKH-OAHLLOKOSA-N 1 1 375.900 3.968 50 0 GHAAMO CCn1cc(C[N@H+]2CCC[C@@H](C(=O)c3cc(Cl)ccc3OC)C2)c(C)n1 ZINC000012714244 221221766 /nfs/dbraw/zinc/22/17/66/221221766.db2.gz CZXCKUDUPFGUKH-OAHLLOKOSA-N 1 1 375.900 3.968 50 0 GHAAMO CC[N@@H+]1CCc2nc(NC(=O)CCCOc3ccc(C(C)=O)cc3)sc2C1 ZINC000012754189 221226066 /nfs/dbraw/zinc/22/60/66/221226066.db2.gz UIVFYBLUIBHCOO-UHFFFAOYSA-N 1 1 387.505 3.521 50 0 GHAAMO CC[N@H+]1CCc2nc(NC(=O)CCCOc3ccc(C(C)=O)cc3)sc2C1 ZINC000012754189 221226071 /nfs/dbraw/zinc/22/60/71/221226071.db2.gz UIVFYBLUIBHCOO-UHFFFAOYSA-N 1 1 387.505 3.521 50 0 GHAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cscn1 ZINC000012757517 221226939 /nfs/dbraw/zinc/22/69/39/221226939.db2.gz KTFZZOYGDKYARK-INIZCTEOSA-N 1 1 377.941 3.823 50 0 GHAAMO CN1CCN(C(=O)CC[C@H]2CCC[N@@H+](Cc3ccccc3-c3ccco3)C2)CC1 ZINC000015078540 221333000 /nfs/dbraw/zinc/33/30/00/221333000.db2.gz KYSNWKSOMJGGHD-HXUWFJFHSA-N 1 1 395.547 3.713 50 0 GHAAMO O=C(CCn1cnc2ccccc21)N[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000015065752 221329173 /nfs/dbraw/zinc/32/91/73/221329173.db2.gz CQPXSUAHXDLYTR-OAQYLSRUSA-N 1 1 390.531 3.640 50 0 GHAAMO COCC[NH+]1CCN(C(=O)C[C@@H](c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000015074361 221330898 /nfs/dbraw/zinc/33/08/98/221330898.db2.gz IIKNPRCSZDUDGA-NRFANRHFSA-N 1 1 386.923 3.653 50 0 GHAAMO Cc1ccc(Nc2nc(N3CC[NH+](C)CC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017042425 221375821 /nfs/dbraw/zinc/37/58/21/221375821.db2.gz XUGVVEWETMNBQV-UHFFFAOYSA-N 1 1 399.502 3.619 50 0 GHAAMO COC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nc(-c4ccco4)cc(=O)[nH]3)cc2)C1 ZINC000019114055 221395883 /nfs/dbraw/zinc/39/58/83/221395883.db2.gz QGXIFSUPNBXDGD-QGZVFWFLSA-N 1 1 379.460 3.555 50 0 GHAAMO OCC[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000019536742 221424935 /nfs/dbraw/zinc/42/49/35/221424935.db2.gz AHNSHLDERBSYEA-HXUWFJFHSA-N 1 1 378.438 3.774 50 0 GHAAMO CCCN1CCC([NH2+]C2CCN(c3ccc(-n4ccnc4C)cc3)CC2)CC1 ZINC000063883786 136156480 /nfs/dbraw/zinc/15/64/80/136156480.db2.gz HFHHAZRIVGHHGK-UHFFFAOYSA-N 1 1 381.568 3.614 50 0 GHAAMO CC(=O)NCC1CC[NH+]([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000047773690 221979074 /nfs/dbraw/zinc/97/90/74/221979074.db2.gz MHEOAXXKYWBOEV-GFCCVEGCSA-N 1 1 396.413 3.665 50 0 GHAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccc(F)c1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000052456199 222006074 /nfs/dbraw/zinc/00/60/74/222006074.db2.gz XPEIDVALRBKKRD-PGRDOPGGSA-N 1 1 381.495 3.605 50 0 GHAAMO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000052456199 222006078 /nfs/dbraw/zinc/00/60/78/222006078.db2.gz XPEIDVALRBKKRD-PGRDOPGGSA-N 1 1 381.495 3.605 50 0 GHAAMO Cc1cccc(-c2nocc2CCC(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000065213436 222111585 /nfs/dbraw/zinc/11/15/85/222111585.db2.gz GVOGGQPEWMWWDI-UHFFFAOYSA-N 1 1 389.499 3.757 50 0 GHAAMO CCNC(=O)NC(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000058158051 222040699 /nfs/dbraw/zinc/04/06/99/222040699.db2.gz QQBJPSBUSRFCTE-OAQYLSRUSA-N 1 1 375.472 3.859 50 0 GHAAMO CCNC(=O)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000058158051 222040702 /nfs/dbraw/zinc/04/07/02/222040702.db2.gz QQBJPSBUSRFCTE-OAQYLSRUSA-N 1 1 375.472 3.859 50 0 GHAAMO CC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000058148825 222041726 /nfs/dbraw/zinc/04/17/26/222041726.db2.gz SIILBEQVRHLTQG-UHFFFAOYSA-N 1 1 394.906 3.970 50 0 GHAAMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2cccc(Br)c2)C1 ZINC000060564838 222060026 /nfs/dbraw/zinc/06/00/26/222060026.db2.gz JLSGNCWBRVFBHB-OAHLLOKOSA-N 1 1 382.346 3.760 50 0 GHAAMO CCc1nn2c(nc(C[NH+](Cc3ccccc3)Cc3ccccc3)cc2=O)s1 ZINC000064592885 222076214 /nfs/dbraw/zinc/07/62/14/222076214.db2.gz YIDASINGKUQHHS-UHFFFAOYSA-N 1 1 390.512 3.916 50 0 GHAAMO Cc1ccc(-c2nc(N(C)C[C@]3(C)CC[N@@H+](C)C3)ncc2-c2cncnc2)cc1 ZINC000065398358 222127511 /nfs/dbraw/zinc/12/75/11/222127511.db2.gz WHKZJAIIEHSBOR-HSZRJFAPSA-N 1 1 388.519 3.687 50 0 GHAAMO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2cccc(Br)c2)C1 ZINC000065474583 222132200 /nfs/dbraw/zinc/13/22/00/222132200.db2.gz JLSGNCWBRVFBHB-HNNXBMFYSA-N 1 1 382.346 3.760 50 0 GHAAMO O=C(CC[N@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1)NC1CC1 ZINC000067643513 222152102 /nfs/dbraw/zinc/15/21/02/222152102.db2.gz QHQKYYDFZQDZMB-UHFFFAOYSA-N 1 1 386.499 3.771 50 0 GHAAMO C[N@H+]1CCC[C@@H]1CN1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067679085 222154778 /nfs/dbraw/zinc/15/47/78/222154778.db2.gz RFGCXJWDRXKCPE-QGZVFWFLSA-N 1 1 395.528 3.958 50 0 GHAAMO Cc1c2nc(-c3cc4n(n3)CC[N@@H+](C3CCOCC3)C4)[nH]c2c(C)c(C)c1C ZINC000067756553 222157596 /nfs/dbraw/zinc/15/75/96/222157596.db2.gz APVPLTFMRYDVQZ-UHFFFAOYSA-N 1 1 379.508 3.655 50 0 GHAAMO Cc1c2nc(-c3cc4n(n3)CC[N@H+](C3CCOCC3)C4)[nH]c2c(C)c(C)c1C ZINC000067756553 222157598 /nfs/dbraw/zinc/15/75/98/222157598.db2.gz APVPLTFMRYDVQZ-UHFFFAOYSA-N 1 1 379.508 3.655 50 0 GHAAMO CCNc1ncc(CN2CCC[N@@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)cn1 ZINC000071756905 222193854 /nfs/dbraw/zinc/19/38/54/222193854.db2.gz AANNFZLNEWBEDV-NRFANRHFSA-N 1 1 385.531 3.780 50 0 GHAAMO CC(=O)c1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)s1 ZINC000071774938 222197080 /nfs/dbraw/zinc/19/70/80/222197080.db2.gz BHQLQNVDVSLIDI-IOMROCGXSA-N 1 1 380.513 3.653 50 0 GHAAMO CCOc1cc(Cl)c(C[NH+]2CCC3(CN(C)C(=O)O3)CC2)cc1OCC ZINC000072430391 222258709 /nfs/dbraw/zinc/25/87/09/222258709.db2.gz JZFBADOEWLKLGS-UHFFFAOYSA-N 1 1 382.888 3.554 50 0 GHAAMO OCCOc1ccc(C[N@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)cc1 ZINC000072433386 222260866 /nfs/dbraw/zinc/26/08/66/222260866.db2.gz ISNZJYDCUJJXDP-KMDXXIMOSA-N 1 1 381.516 3.710 50 0 GHAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3ncccn3)C2)cc1Cl ZINC000095515220 222342847 /nfs/dbraw/zinc/34/28/47/222342847.db2.gz KTOPMNQCRVHATK-OAHLLOKOSA-N 1 1 388.899 3.770 50 0 GHAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3ncccn3)C2)cc1Cl ZINC000095515220 222342851 /nfs/dbraw/zinc/34/28/51/222342851.db2.gz KTOPMNQCRVHATK-OAHLLOKOSA-N 1 1 388.899 3.770 50 0 GHAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)CCc1nc(-c2ccccc2)no1 ZINC000077377227 222279425 /nfs/dbraw/zinc/27/94/25/222279425.db2.gz ZZECDYGDBAGMFP-IBGZPJMESA-N 1 1 393.491 3.646 50 0 GHAAMO COCCN1C[C@]2(CCC[N@H+](Cc3cc(Cl)cc(Cl)c3)C2)CCC1=O ZINC000077428402 222280673 /nfs/dbraw/zinc/28/06/73/222280673.db2.gz KMHBBDZPALZNSS-LJQANCHMSA-N 1 1 385.335 3.844 50 0 GHAAMO COCCN1C[C@]2(CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3)C2)CCC1=O ZINC000077428402 222280678 /nfs/dbraw/zinc/28/06/78/222280678.db2.gz KMHBBDZPALZNSS-LJQANCHMSA-N 1 1 385.335 3.844 50 0 GHAAMO CC1(NC(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)CCCCC1 ZINC000082114630 222309327 /nfs/dbraw/zinc/30/93/27/222309327.db2.gz REEQRGDTFZNXPR-NRFANRHFSA-N 1 1 398.595 3.597 50 0 GHAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1ccc(OC)o1 ZINC000095518869 222344616 /nfs/dbraw/zinc/34/46/16/222344616.db2.gz ZJBRVBUQGHSEOF-GOSISDBHSA-N 1 1 388.483 3.844 50 0 GHAAMO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)Cc3cc(C)no3)CC2)C1 ZINC000096162637 222393683 /nfs/dbraw/zinc/39/36/83/222393683.db2.gz BAVTXAMGCYRTMZ-FQEVSTJZSA-N 1 1 381.520 3.644 50 0 GHAAMO Cc1oc(-c2ccc(C)cc2)nc1C[N@H+]1CCC[C@@H](c2ccn(CCO)n2)C1 ZINC000426465121 534522255 /nfs/dbraw/zinc/52/22/55/534522255.db2.gz GSAIGLQKEGVNGC-LJQANCHMSA-N 1 1 380.492 3.527 50 0 GHAAMO COc1cc(N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C2CC2)C3)ncn1 ZINC000095368303 536824944 /nfs/dbraw/zinc/82/49/44/536824944.db2.gz VJXKCIGRKHKCMO-LJQANCHMSA-N 1 1 378.520 3.724 50 0 GHAAMO Cc1cccc(Cn2nc(C3CCCC3)nc2-c2n[nH]c3c2C[N@@H+](C)CC3)c1 ZINC000096131558 570211090 /nfs/dbraw/zinc/21/10/90/570211090.db2.gz YAOQCSIMFJBXEP-UHFFFAOYSA-N 1 1 376.508 3.670 50 0 GHAAMO Cc1nccn1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000020109496 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222114640 /nfs/dbraw/zinc/11/46/40/222114640.db2.gz BMANKRFEGGFAKM-MRXNPFEDSA-N 1 1 375.582 3.858 50 0 GHAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc3c(s2)CN(C2CCCC2)C3)C1 ZINC000065239011 222114644 /nfs/dbraw/zinc/11/46/44/222114644.db2.gz BMANKRFEGGFAKM-MRXNPFEDSA-N 1 1 375.582 3.858 50 0 GHAAMO FC(F)Oc1ccc(Br)cc1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000065564130 222134871 /nfs/dbraw/zinc/13/48/71/222134871.db2.gz HBWHPBCEZBMLHY-CQSZACIVSA-N 1 1 375.257 3.721 50 0 GHAAMO Cc1nnsc1C(=O)Nc1ccc(Nc2cc(N3CCCC3)nc(C)[nH+]2)cc1 ZINC000067620981 222151599 /nfs/dbraw/zinc/15/15/99/222151599.db2.gz BDAOOSPQMJQHNQ-UHFFFAOYSA-N 1 1 395.492 3.541 50 0 GHAAMO Cc1nnsc1C(=O)Nc1ccc(Nc2cc(N3CCCC3)[nH+]c(C)n2)cc1 ZINC000067620981 222151600 /nfs/dbraw/zinc/15/16/00/222151600.db2.gz BDAOOSPQMJQHNQ-UHFFFAOYSA-N 1 1 395.492 3.541 50 0 GHAAMO Fc1ccc2[nH]c(CC[N@H+]3CCc4[nH]nc(-c5cccc(F)c5)c4C3)nc2c1 ZINC000067724635 222155950 /nfs/dbraw/zinc/15/59/50/222155950.db2.gz UWGDTYFEJVHWCP-UHFFFAOYSA-N 1 1 379.414 3.832 50 0 GHAAMO O=C(c1cc(F)ccc1F)[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000071661488 222185539 /nfs/dbraw/zinc/18/55/39/222185539.db2.gz PFFMGRPSGXJMGX-OAHLLOKOSA-N 1 1 382.410 3.901 50 0 GHAAMO O=S(=O)(N[C@@H]1CCC[N@H+](C2CCCCCC2)C1)c1cc2ccccc2o1 ZINC000072154445 222212126 /nfs/dbraw/zinc/21/21/26/222212126.db2.gz GTIKHBJUYDSQTI-QGZVFWFLSA-N 1 1 376.522 3.898 50 0 GHAAMO C[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072410497 222254960 /nfs/dbraw/zinc/25/49/60/222254960.db2.gz PCTCNWQKBBMJTL-GOSISDBHSA-N 1 1 380.532 3.567 50 0 GHAAMO COc1ccc(-n2cc(C[N@H+]3CCC[C@H](O)C3)c(-c3cccc(F)c3)n2)cc1 ZINC000072439944 222260396 /nfs/dbraw/zinc/26/03/96/222260396.db2.gz NVYAMAWHWHXSHV-FQEVSTJZSA-N 1 1 381.451 3.644 50 0 GHAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3[nH]c4ccccc4c3Cl)CC2)C[C@H](C)O1 ZINC000072454579 222263381 /nfs/dbraw/zinc/26/33/81/222263381.db2.gz OJLNQRZDAWAKEV-OKILXGFUSA-N 1 1 375.900 3.535 50 0 GHAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2cc(C)n(C)c2C)C1 ZINC000095499147 222334455 /nfs/dbraw/zinc/33/44/55/222334455.db2.gz TWPWWRXMLZEXGJ-HXUWFJFHSA-N 1 1 397.563 3.677 50 0 GHAAMO Cc1cc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)ccc1C(N)=O ZINC000095958299 222363442 /nfs/dbraw/zinc/36/34/42/222363442.db2.gz URNFQIPLCSMGOO-INIZCTEOSA-N 1 1 394.519 3.648 50 0 GHAAMO C[C@@H]1CCCN(C(=O)c2ccc(N3CCC[N@@H+](Cc4cccs4)CC3)nc2)C1 ZINC000095958769 222363699 /nfs/dbraw/zinc/36/36/99/222363699.db2.gz ZRMZXMKXGRFOEK-GOSISDBHSA-N 1 1 398.576 3.728 50 0 GHAAMO Cc1cc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)ccc1C(N)=O ZINC000095958300 222364621 /nfs/dbraw/zinc/36/46/21/222364621.db2.gz URNFQIPLCSMGOO-MRXNPFEDSA-N 1 1 394.519 3.648 50 0 GHAAMO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)Nc2cccc3[nH]nnc32)cc1 ZINC000096162966 222392520 /nfs/dbraw/zinc/39/25/20/222392520.db2.gz NJONCMVYOYAWSV-LJQANCHMSA-N 1 1 378.480 3.779 50 0 GHAAMO CCOc1ccc(NC(=O)N2CCC[N@H+](Cc3ccncc3)CC2)cc1Cl ZINC000096165618 222395262 /nfs/dbraw/zinc/39/52/62/222395262.db2.gz PXTQOPHNSAPJGP-UHFFFAOYSA-N 1 1 388.899 3.874 50 0 GHAAMO CCOc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccncc3)CC2)cc1Cl ZINC000096165618 222395266 /nfs/dbraw/zinc/39/52/66/222395266.db2.gz PXTQOPHNSAPJGP-UHFFFAOYSA-N 1 1 388.899 3.874 50 0 GHAAMO CCCc1nnsc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000426699913 528779800 /nfs/dbraw/zinc/77/98/00/528779800.db2.gz KCBKEKNIJMQAFE-JOCHJYFZSA-N 1 1 398.576 3.661 50 0 GHAAMO Ic1ccc(OCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000019815390 570221680 /nfs/dbraw/zinc/22/16/80/570221680.db2.gz IYOYYCTVEGTQAD-UHFFFAOYSA-N 1 1 379.241 3.728 50 0 GHAAMO CC[C@H](CNC(=O)Nc1cccnc1N1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000048237843 570223001 /nfs/dbraw/zinc/22/30/01/570223001.db2.gz XEHOENYWUJSWFA-HXUWFJFHSA-N 1 1 393.535 3.640 50 0 GHAAMO COc1ccc2ccccc2c1C[NH+]1CCN(C(=O)COc2ccccc2)CC1 ZINC000019832058 570223567 /nfs/dbraw/zinc/22/35/67/570223567.db2.gz DHTMTXFCWOBTKR-UHFFFAOYSA-N 1 1 390.483 3.572 50 0 GHAAMO O=C(CC[N@H+]1CCC[C@@H]1c1ccsc1)Nc1ccc(N2CCOCC2)cc1 ZINC000048250733 570226513 /nfs/dbraw/zinc/22/65/13/570226513.db2.gz YKUWNRRMRACEMS-HXUWFJFHSA-N 1 1 385.533 3.750 50 0 GHAAMO CN(Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000019865438 570226718 /nfs/dbraw/zinc/22/67/18/570226718.db2.gz UBMGGYQGPCAWDE-DEOSSOPVSA-N 1 1 378.564 3.642 50 0 GHAAMO CN(Cc1ccccc1)[C@H]1CCC[N@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000019865438 570226721 /nfs/dbraw/zinc/22/67/21/570226721.db2.gz UBMGGYQGPCAWDE-DEOSSOPVSA-N 1 1 378.564 3.642 50 0 GHAAMO CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000048309537 570232616 /nfs/dbraw/zinc/23/26/16/570232616.db2.gz VLNPHOBGVXVKQY-UHFFFAOYSA-N 1 1 386.439 3.636 50 0 GHAAMO CCC[N@H+]1CCc2c(sc3[nH]c(=S)n(-c4ccc(OC)cc4)c(=O)c23)C1 ZINC000019940028 570232909 /nfs/dbraw/zinc/23/29/09/570232909.db2.gz DYWRGBXDVALWCM-UHFFFAOYSA-N 1 1 387.530 3.886 50 0 GHAAMO CN(Cc1cnn(C)c1)C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000020535296 570265919 /nfs/dbraw/zinc/26/59/19/570265919.db2.gz FDBZHGXIESWZGH-GOSISDBHSA-N 1 1 394.485 3.825 50 0 GHAAMO COc1ccc(C[N@H+]2CCN(Cc3cccc(F)c3)C[C@@H]2CCO)c(C)c1C ZINC000020600482 570270045 /nfs/dbraw/zinc/27/00/45/570270045.db2.gz WCAPWUYNAPPPHE-QFIPXVFZSA-N 1 1 386.511 3.520 50 0 GHAAMO NC(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000020945517 570285727 /nfs/dbraw/zinc/28/57/27/570285727.db2.gz VEMJYYKHQOJNNB-UHFFFAOYSA-N 1 1 385.467 3.596 50 0 GHAAMO CCNC(=O)N[C@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1 ZINC000034855572 570341381 /nfs/dbraw/zinc/34/13/81/570341381.db2.gz KYHMMXHZESODQC-OPAMFIHVSA-N 1 1 397.519 3.511 50 0 GHAAMO CCNC(=O)N[C@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1 ZINC000034855572 570341383 /nfs/dbraw/zinc/34/13/83/570341383.db2.gz KYHMMXHZESODQC-OPAMFIHVSA-N 1 1 397.519 3.511 50 0 GHAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)C(C)C)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000034855734 570341395 /nfs/dbraw/zinc/34/13/95/570341395.db2.gz BWYGGZJRDDXNCQ-NRFANRHFSA-N 1 1 396.531 3.884 50 0 GHAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)C(C)C)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000034855734 570341396 /nfs/dbraw/zinc/34/13/96/570341396.db2.gz BWYGGZJRDDXNCQ-NRFANRHFSA-N 1 1 396.531 3.884 50 0 GHAAMO CNC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2cccc(Cn3cccn3)c2)s1 ZINC000023159090 570347380 /nfs/dbraw/zinc/34/73/80/570347380.db2.gz WOXKQDUXDPPKGY-SFHVURJKSA-N 1 1 380.517 3.690 50 0 GHAAMO Cc1cc(C[N@H+]2CCC[C@H]2c2ccc(C(N)=O)s2)c(C)n1-c1cccnc1 ZINC000023366708 570357346 /nfs/dbraw/zinc/35/73/46/570357346.db2.gz NVKRZRJZYAZDBX-SFHVURJKSA-N 1 1 380.517 3.987 50 0 GHAAMO Cc1ccc(C2=NC3(CC[NH+](Cc4cccc(Cl)c4)CC3)NC2=O)cc1C ZINC000035430894 570358101 /nfs/dbraw/zinc/35/81/01/570358101.db2.gz MBKFLNSFBIRQQL-UHFFFAOYSA-N 1 1 381.907 3.868 50 0 biogenic GHAAMO CC(C)c1ccc(-n2cc(C[N@@H+]3CCCn4nc([C@@H](C)O)cc4C3)cn2)cc1 ZINC000219980425 570379806 /nfs/dbraw/zinc/37/98/06/570379806.db2.gz MNLCVNQJKJNXMJ-QGZVFWFLSA-N 1 1 379.508 3.651 50 0 GHAAMO CC(C)c1ccc(-n2cc(C[N@H+]3CCCn4nc([C@@H](C)O)cc4C3)cn2)cc1 ZINC000219980425 570379808 /nfs/dbraw/zinc/37/98/08/570379808.db2.gz MNLCVNQJKJNXMJ-QGZVFWFLSA-N 1 1 379.508 3.651 50 0 GHAAMO C[N@@H+](CCNc1ncnc2onc(-c3ccc(F)cc3)c21)Cc1ccccc1 ZINC000035510526 570386383 /nfs/dbraw/zinc/38/63/83/570386383.db2.gz QMCDYRXGXHAGGC-UHFFFAOYSA-N 1 1 377.423 3.968 50 0 GHAAMO CCCC[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)[C@@H](C)CC ZINC000026649325 570422223 /nfs/dbraw/zinc/42/22/23/570422223.db2.gz DWGQNKBKEXDEMJ-KRWDZBQOSA-N 1 1 397.585 3.556 50 0 GHAAMO CC(C)[N@@H+](CCCNC(=O)Cn1cc2c(n1)CCCCC2)Cc1ccccc1 ZINC000005148830 570427623 /nfs/dbraw/zinc/42/76/23/570427623.db2.gz HMRMBYHSKYBWDJ-UHFFFAOYSA-N 1 1 382.552 3.569 50 0 GHAAMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2coc3c(Cl)cc(Cl)cc3c2=O)C1 ZINC000006667540 570487082 /nfs/dbraw/zinc/48/70/82/570487082.db2.gz VDARKODFZQMUDX-LLVKDONJSA-N 1 1 384.259 3.875 50 0 GHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2coc3c(Cl)cc(Cl)cc3c2=O)C1 ZINC000006667540 570487087 /nfs/dbraw/zinc/48/70/87/570487087.db2.gz VDARKODFZQMUDX-LLVKDONJSA-N 1 1 384.259 3.875 50 0 GHAAMO CCOC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCc3sccc3[C@@H]2CC)cc1 ZINC000030224110 570487386 /nfs/dbraw/zinc/48/73/86/570487386.db2.gz NLCFKBADTDIDIV-LPHOPBHVSA-N 1 1 389.517 3.674 50 0 GHAAMO CCOCCCNC(=O)[C@H](C)[NH+]1CCC(c2nc(-c3ccccc3)c(C)o2)CC1 ZINC000072304923 570515395 /nfs/dbraw/zinc/51/53/95/570515395.db2.gz QXQZRFKTHAXOFZ-KRWDZBQOSA-N 1 1 399.535 3.761 50 0 GHAAMO O[C@@]1(C(F)(F)F)C2=C([NH2+]N1c1nc3ccccc3s1)c1ccccc1OC2 ZINC000005275049 570548039 /nfs/dbraw/zinc/54/80/39/570548039.db2.gz SJANWJHLGDYGHJ-APPDUMDISA-N 1 1 391.374 3.780 50 0 GHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1 ZINC000006780492 570586917 /nfs/dbraw/zinc/58/69/17/570586917.db2.gz AYGAIINJKFCIEQ-INIZCTEOSA-N 1 1 382.533 3.918 50 0 GHAAMO Cn1nc(C(=O)NCC[N@@H+](C)Cc2ccccc2)c2c1-c1ccccc1SC2 ZINC000006817662 570619331 /nfs/dbraw/zinc/61/93/31/570619331.db2.gz ZUZQHIPRISIEGP-UHFFFAOYSA-N 1 1 392.528 3.555 50 0 GHAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C1)N1CCCC1 ZINC000012475010 570673901 /nfs/dbraw/zinc/67/39/01/570673901.db2.gz JUSYPLHGPSEFIZ-IBGZPJMESA-N 1 1 394.519 3.884 50 0 GHAAMO Cc1cc(C)c(NC(=O)CC[N@H+]2CCC[C@H](CN3CCCC3=O)C2)c(Cl)c1 ZINC000244574925 570693698 /nfs/dbraw/zinc/69/36/98/570693698.db2.gz CTQZSMTVGYDUJX-KRWDZBQOSA-N 1 1 391.943 3.620 50 0 GHAAMO Cc1[nH+]ccn1CC1CCN(C(=O)Nc2ccc3nc(C)c(C)nc3c2)CC1 ZINC000244774076 570696325 /nfs/dbraw/zinc/69/63/25/570696325.db2.gz PNJBCOFGJHAOTP-UHFFFAOYSA-N 1 1 378.480 3.696 50 0 GHAAMO COc1cc(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000007016142 570741583 /nfs/dbraw/zinc/74/15/83/570741583.db2.gz UZSPINUBOKXNDP-UHFFFAOYSA-N 1 1 398.503 3.606 50 0 GHAAMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000096743030 570778985 /nfs/dbraw/zinc/77/89/85/570778985.db2.gz PZPJCNKILFNUNN-AWEZNQCLSA-N 1 1 394.924 3.765 50 0 GHAAMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000096743030 570778986 /nfs/dbraw/zinc/77/89/86/570778986.db2.gz PZPJCNKILFNUNN-AWEZNQCLSA-N 1 1 394.924 3.765 50 0 GHAAMO O=C(Cc1ccc(Cl)cc1)NCCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000036700051 570794866 /nfs/dbraw/zinc/79/48/66/570794866.db2.gz HORXMYQRZQVMGD-OAQYLSRUSA-N 1 1 386.923 3.852 50 0 GHAAMO O=C(Cc1ccc(Cl)cc1)NCCCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000036700051 570794868 /nfs/dbraw/zinc/79/48/68/570794868.db2.gz HORXMYQRZQVMGD-OAQYLSRUSA-N 1 1 386.923 3.852 50 0 GHAAMO Cc1c(C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)cnn1-c1cc[nH+]cc1 ZINC000126435274 570800179 /nfs/dbraw/zinc/80/01/79/570800179.db2.gz ZRSFVAVCZNBPAV-UHFFFAOYSA-N 1 1 395.850 3.608 50 0 GHAAMO C[NH+](C)[C@@H](CNC(=O)c1csc(C(F)(F)F)n1)c1ccccc1Cl ZINC000170607826 570864799 /nfs/dbraw/zinc/86/47/99/570864799.db2.gz UHPJANUHALZMIL-LBPRGKRZSA-N 1 1 377.819 3.848 50 0 GHAAMO C[C@@H]1CCSCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000170616724 570874296 /nfs/dbraw/zinc/87/42/96/570874296.db2.gz WMZUOCOKKITUHT-OAHLLOKOSA-N 1 1 376.522 3.884 50 0 GHAAMO C[C@@H]1CCSCC[N@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000170616724 570874300 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375.513 3.565 50 0 GHAAMO C[C@H](C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1)c1cccc(Br)c1 ZINC000252478341 570966819 /nfs/dbraw/zinc/96/68/19/570966819.db2.gz AJPPPEBOMBLHIC-UKRRQHHQSA-N 1 1 375.314 3.804 50 0 GHAAMO C[C@@H]1CCC[N@@H+](CC2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)C1 ZINC000033312345 570971886 /nfs/dbraw/zinc/97/18/86/570971886.db2.gz ONOXDTDJUXIXGP-MRXNPFEDSA-N 1 1 384.973 3.614 50 0 GHAAMO Cc1cc(Br)c(O)c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000084074626 570995123 /nfs/dbraw/zinc/99/51/23/570995123.db2.gz PJUKKWGFOWZLAF-CYBMUJFWSA-N 1 1 383.311 3.557 50 0 GHAAMO O=C(NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2)c1cnc2ccccc2c1 ZINC000091636362 571020110 /nfs/dbraw/zinc/02/01/10/571020110.db2.gz RENNVQLMMLKHRP-UHFFFAOYSA-N 1 1 389.503 3.510 50 0 GHAAMO C[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)C(=O)c3ccccc3)CC2)C1 ZINC000091830317 571032153 /nfs/dbraw/zinc/03/21/53/571032153.db2.gz NWDQALJJJAJWHL-NRFANRHFSA-N 1 1 376.500 3.597 50 0 GHAAMO CCCCN1C[C@@]2(CCC[N@@H+](Cc3nc4ccccc4nc3C)C2)CCC1=O ZINC000091860562 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212227069 /nfs/dbraw/zinc/22/70/69/212227069.db2.gz GJKTULAZDMNZQC-HXUWFJFHSA-N 1 1 382.891 3.927 50 0 GHAAMO CNc1cc(OC)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1Cl ZINC000000538069 212163247 /nfs/dbraw/zinc/16/32/47/212163247.db2.gz KRVOJOCLBAAKSJ-RDTXWAMCSA-N 1 1 387.911 3.783 50 0 world GHAAMO C[C@@H]1C[N@@H+](CCOc2ccc(-c3n[nH]cc3-c3ccccc3)c(O)c2)C[C@H](C)O1 ZINC000017058307 212150387 /nfs/dbraw/zinc/15/03/87/212150387.db2.gz CTPRCYPDKCSGRM-CALCHBBNSA-N 1 1 393.487 3.937 50 0 GHAAMO C[C@@H]1C[N@H+](CCOc2ccc(-c3n[nH]cc3-c3ccccc3)c(O)c2)C[C@H](C)O1 ZINC000017058307 212150391 /nfs/dbraw/zinc/15/03/91/212150391.db2.gz CTPRCYPDKCSGRM-CALCHBBNSA-N 1 1 393.487 3.937 50 0 GHAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(Cl)cc2)c(OC)c1 ZINC000007719557 221008191 /nfs/dbraw/zinc/00/81/91/221008191.db2.gz AVJFCKGHYBUTKY-IBGZPJMESA-N 1 1 388.895 3.811 50 0 GHAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCc2ccc(Cl)cc2)c(OC)c1 ZINC000007719557 221008195 /nfs/dbraw/zinc/00/81/95/221008195.db2.gz AVJFCKGHYBUTKY-IBGZPJMESA-N 1 1 388.895 3.811 50 0 GHAAMO C[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000007791218 221012146 /nfs/dbraw/zinc/01/21/46/221012146.db2.gz ANKCHCAKWDZAST-UHFFFAOYSA-N 1 1 393.531 3.947 50 0 GHAAMO C[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000007791218 221012149 /nfs/dbraw/zinc/01/21/49/221012149.db2.gz ANKCHCAKWDZAST-UHFFFAOYSA-N 1 1 393.531 3.947 50 0 GHAAMO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000007875231 221014670 /nfs/dbraw/zinc/01/46/70/221014670.db2.gz NLKJMIWWPJGMMZ-UHFFFAOYSA-N 1 1 395.415 3.514 50 0 GHAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1cccc2ccccc21 ZINC000008187997 221030457 /nfs/dbraw/zinc/03/04/57/221030457.db2.gz QEXVFWOBJXGBMV-UHFFFAOYSA-N 1 1 393.531 3.893 50 0 GHAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)NCc1ccccc1Cl ZINC000008319160 221036844 /nfs/dbraw/zinc/03/68/44/221036844.db2.gz WDTQTOVKSIBRGV-SFHVURJKSA-N 1 1 386.879 3.565 50 0 GHAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)NCc1ccccc1Cl ZINC000008319160 221036847 /nfs/dbraw/zinc/03/68/47/221036847.db2.gz WDTQTOVKSIBRGV-SFHVURJKSA-N 1 1 386.879 3.565 50 0 GHAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000008747977 221055216 /nfs/dbraw/zinc/05/52/16/221055216.db2.gz JSUSAUUDTGPJDJ-HXUWFJFHSA-N 1 1 396.487 3.657 50 0 GHAAMO CCOC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000009087110 221069801 /nfs/dbraw/zinc/06/98/01/221069801.db2.gz DUTAMRSHWRLOQI-HXUWFJFHSA-N 1 1 393.443 3.884 50 0 GHAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](CCCSC)C2)c(OC)c1 ZINC000011843147 221131818 /nfs/dbraw/zinc/13/18/18/221131818.db2.gz JJRRNDRYUOZGOQ-KRWDZBQOSA-N 1 1 394.581 3.565 50 0 GHAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)C(=O)c1ccco1 ZINC000011661475 221119071 /nfs/dbraw/zinc/11/90/71/221119071.db2.gz KWKIZHONFQVHRK-KRWDZBQOSA-N 1 1 388.895 3.529 50 0 GHAAMO Cc1noc(C)c1C(=O)NCC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000012021130 221143096 /nfs/dbraw/zinc/14/30/96/221143096.db2.gz XBRBWSZRNJEQPK-NRFANRHFSA-N 1 1 391.471 3.657 50 0 GHAAMO Cc1noc(C)c1C(=O)NCC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000012021130 221143100 /nfs/dbraw/zinc/14/31/00/221143100.db2.gz XBRBWSZRNJEQPK-NRFANRHFSA-N 1 1 391.471 3.657 50 0 GHAAMO Cc1[nH+]ccn1CCN(C)C(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000012301089 221177071 /nfs/dbraw/zinc/17/70/71/221177071.db2.gz MFLCCVJIKFHTMQ-FQEVSTJZSA-N 1 1 391.471 3.601 50 0 GHAAMO Clc1cccc(-c2noc(C[NH+]3CCC(OCc4ccccn4)CC3)n2)c1 ZINC000012301977 221177556 /nfs/dbraw/zinc/17/75/56/221177556.db2.gz WODUNAGGPREMKS-UHFFFAOYSA-N 1 1 384.867 3.966 50 0 GHAAMO CN(C)c1cccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)c1 ZINC000012320913 221181802 /nfs/dbraw/zinc/18/18/02/221181802.db2.gz YMFHLPHLNUQMBU-RUZDIDTESA-N 1 1 391.559 3.923 50 0 GHAAMO OCCn1c2cc(Cl)ccc2nc1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000012551436 221204621 /nfs/dbraw/zinc/20/46/21/221204621.db2.gz ZAJALCHFXFFBDS-UHFFFAOYSA-N 1 1 385.895 3.767 50 0 GHAAMO Cc1ccc(CNCc2ccccc2OC[C@H](O)C[N@H+](C)C2CCCCC2)o1 ZINC000012589042 221211139 /nfs/dbraw/zinc/21/11/39/221211139.db2.gz XWLUTNKTVMOSDV-OAQYLSRUSA-N 1 1 386.536 3.882 50 0 GHAAMO O=C(CC(F)(F)F)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000012597654 221213562 /nfs/dbraw/zinc/21/35/62/221213562.db2.gz JYZYFSHQKLQRNY-QGZVFWFLSA-N 1 1 376.369 3.732 50 0 GHAAMO O=C(CC(F)(F)F)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000012597654 221213566 /nfs/dbraw/zinc/21/35/66/221213566.db2.gz JYZYFSHQKLQRNY-QGZVFWFLSA-N 1 1 376.369 3.732 50 0 GHAAMO CCc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)c3cccc(OC)c3OC)C2)o1 ZINC000012702328 221219639 /nfs/dbraw/zinc/21/96/39/221219639.db2.gz CEECTNLUZIKOLR-INIZCTEOSA-N 1 1 386.492 3.501 50 0 GHAAMO Cc1ncccc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000012702364 221219767 /nfs/dbraw/zinc/21/97/67/221219767.db2.gz BWKYYCVZUCIPBY-JOCHJYFZSA-N 1 1 385.458 3.797 50 0 GHAAMO Cc1ncccc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000012702364 221219769 /nfs/dbraw/zinc/21/97/69/221219769.db2.gz BWKYYCVZUCIPBY-JOCHJYFZSA-N 1 1 385.458 3.797 50 0 GHAAMO COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)c3cc(-c4ccccc4)on3)C2)c1 ZINC000012718498 221221624 /nfs/dbraw/zinc/22/16/24/221221624.db2.gz UPQNKIRLIOCFPD-IBGZPJMESA-N 1 1 391.471 3.745 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@H](NC(=O)c3cc(-c4ccccc4)on3)C2)c1 ZINC000012718498 221221628 /nfs/dbraw/zinc/22/16/28/221221628.db2.gz UPQNKIRLIOCFPD-IBGZPJMESA-N 1 1 391.471 3.745 50 0 GHAAMO CCOC(=O)[C@]1(Cc2ccccc2F)CCC[N@@H+](Cc2ccc(COC)o2)C1 ZINC000012590668 221211555 /nfs/dbraw/zinc/21/15/55/221211555.db2.gz PKBXAHNBMFLVFV-QFIPXVFZSA-N 1 1 389.467 3.953 50 0 GHAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000012810575 221235381 /nfs/dbraw/zinc/23/53/81/221235381.db2.gz AINYWAMGPLPKAU-OAQYLSRUSA-N 1 1 393.512 3.874 50 0 GHAAMO O=C(Nc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)c1ccccc1 ZINC000012814480 221236146 /nfs/dbraw/zinc/23/61/46/221236146.db2.gz RNDPCIIMAAFKJN-QHCPKHFHSA-N 1 1 399.494 3.943 50 0 GHAAMO FC(F)(F)c1cccc(CNc2nc(N3CCCC3)nc(N3CCCC3)[nH+]2)c1 ZINC000012825423 221237230 /nfs/dbraw/zinc/23/72/30/221237230.db2.gz RWMURYKHOVMHDZ-UHFFFAOYSA-N 1 1 392.429 3.703 50 0 GHAAMO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012975587 221251353 /nfs/dbraw/zinc/25/13/53/221251353.db2.gz BMWWUZNFYUGLLK-INIZCTEOSA-N 1 1 385.895 3.938 50 0 GHAAMO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012975587 221251356 /nfs/dbraw/zinc/25/13/56/221251356.db2.gz BMWWUZNFYUGLLK-INIZCTEOSA-N 1 1 385.895 3.938 50 0 GHAAMO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1Cl ZINC000012978268 221251375 /nfs/dbraw/zinc/25/13/75/221251375.db2.gz FNCQBHBVEPXNGF-AWEZNQCLSA-N 1 1 399.882 3.561 50 0 GHAAMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1Cl ZINC000012978268 221251376 /nfs/dbraw/zinc/25/13/76/221251376.db2.gz FNCQBHBVEPXNGF-AWEZNQCLSA-N 1 1 399.882 3.561 50 0 GHAAMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000012981030 221251878 /nfs/dbraw/zinc/25/18/78/221251878.db2.gz XAZFQMIBQPIPPL-DNVCBOLYSA-N 1 1 384.451 3.611 50 0 GHAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000012981030 221251881 /nfs/dbraw/zinc/25/18/81/221251881.db2.gz XAZFQMIBQPIPPL-DNVCBOLYSA-N 1 1 384.451 3.611 50 0 GHAAMO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000012912946 221245180 /nfs/dbraw/zinc/24/51/80/221245180.db2.gz FGLGFQRMKIAKTC-UHFFFAOYSA-N 1 1 378.476 3.568 50 0 GHAAMO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000012912946 221245181 /nfs/dbraw/zinc/24/51/81/221245181.db2.gz FGLGFQRMKIAKTC-UHFFFAOYSA-N 1 1 378.476 3.568 50 0 GHAAMO C[C@@H]1CCc2ccccc2N1C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000014140674 221301474 /nfs/dbraw/zinc/30/14/74/221301474.db2.gz JAGYAIVVJVZOOD-GOSISDBHSA-N 1 1 391.515 3.705 50 0 GHAAMO Cc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(F)c2F)C3)n1 ZINC000014981479 221324754 /nfs/dbraw/zinc/32/47/54/221324754.db2.gz UICQUJPBRBKOAZ-QFIPXVFZSA-N 1 1 385.458 3.797 50 0 GHAAMO Cc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(F)c2F)C3)n1 ZINC000014981479 221324758 /nfs/dbraw/zinc/32/47/58/221324758.db2.gz UICQUJPBRBKOAZ-QFIPXVFZSA-N 1 1 385.458 3.797 50 0 GHAAMO O[C@@H](COc1ccccc1CNC1(c2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000015064689 221327308 /nfs/dbraw/zinc/32/73/08/221327308.db2.gz CJRDYXMBFCSULT-JOCHJYFZSA-N 1 1 380.532 3.691 50 0 GHAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3cnn(C(C)C)c3)C2)cc1 ZINC000015063543 221328415 /nfs/dbraw/zinc/32/84/15/221328415.db2.gz TZLRGVZPTRHFDS-NRFANRHFSA-N 1 1 384.568 3.859 50 0 GHAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)CCc1ccncc1 ZINC000015075376 221331160 /nfs/dbraw/zinc/33/11/60/221331160.db2.gz RXQBOOVGKUJVKN-FQEVSTJZSA-N 1 1 383.511 3.566 50 0 GHAAMO CC[N@@H+](CCNC(=O)c1noc2c1CCc1sccc1-2)Cc1ccccc1 ZINC000015733312 221342112 /nfs/dbraw/zinc/34/21/12/221342112.db2.gz JYOXMOHSJOBGFH-UHFFFAOYSA-N 1 1 381.501 3.754 50 0 GHAAMO Cc1ccc([C@@H](CNC(=O)c2ccc(Br)o2)[NH+]2CCCCC2)o1 ZINC000015860205 221348987 /nfs/dbraw/zinc/34/89/87/221348987.db2.gz WVQLIXRFZJCPPB-CYBMUJFWSA-N 1 1 381.270 3.901 50 0 GHAAMO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c(Cl)c1 ZINC000017305738 221382749 /nfs/dbraw/zinc/38/27/49/221382749.db2.gz IMQYRJMZVCSEJC-OAHLLOKOSA-N 1 1 383.883 3.861 50 0 GHAAMO Cc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c(Cl)c1 ZINC000017305738 221382751 /nfs/dbraw/zinc/38/27/51/221382751.db2.gz IMQYRJMZVCSEJC-OAHLLOKOSA-N 1 1 383.883 3.861 50 0 GHAAMO C[C@@H]([NH2+]CC(=O)NCCOc1ccccc1)c1cc(F)c(Cl)cc1Cl ZINC000016695803 221369481 /nfs/dbraw/zinc/36/94/81/221369481.db2.gz JLFCGNPLKACGSH-GFCCVEGCSA-N 1 1 385.266 3.978 50 0 GHAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(c1cc(C(F)(F)F)ccn1)CC2 ZINC000095498068 136179759 /nfs/dbraw/zinc/17/97/59/136179759.db2.gz ZSPFJLDYEDJIHF-UHFFFAOYSA-N 1 1 393.457 3.977 50 0 GHAAMO CC(C)[C@@H](CNC(=O)c1ccc(Oc2ccc(F)cc2)cc1)[NH+]1CCOCC1 ZINC000025327457 221628430 /nfs/dbraw/zinc/62/84/30/221628430.db2.gz FSKGHHLWDYYQQQ-OAQYLSRUSA-N 1 1 386.467 3.705 50 0 GHAAMO Fc1ccc(-c2cc3ncnc(N4CC[NH+](C[C@H]5CCCO5)CC4)c3s2)cc1 ZINC000033010806 221764114 /nfs/dbraw/zinc/76/41/14/221764114.db2.gz QQYWOXQHFDXILW-QGZVFWFLSA-N 1 1 398.507 3.798 50 0 GHAAMO COc1ccc(C[NH2+][C@@H](C(=O)NC(C)C)c2ccccc2)cc1OC(F)F ZINC000056144098 222025374 /nfs/dbraw/zinc/02/53/74/222025374.db2.gz BSIMLKHZBACFAG-GOSISDBHSA-N 1 1 378.419 3.652 50 0 GHAAMO O=C(C[NH+]1CCC(c2nc(-c3ccc(F)cc3)no2)CC1)NC1CCCCC1 ZINC000065184230 222107398 /nfs/dbraw/zinc/10/73/98/222107398.db2.gz PIMIWPPMPQHDQT-UHFFFAOYSA-N 1 1 386.471 3.504 50 0 GHAAMO c1c(C[NH2+]Cc2nnc3ccccn32)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000058111414 222040146 /nfs/dbraw/zinc/04/01/46/222040146.db2.gz QGUCOKPBCMWOMZ-UHFFFAOYSA-N 1 1 394.482 3.931 50 0 GHAAMO CC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)CC1 ZINC000058148798 222040503 /nfs/dbraw/zinc/04/05/03/222040503.db2.gz FBNIAFMMQGWURX-UHFFFAOYSA-N 1 1 388.515 3.934 50 0 GHAAMO CCC[N@H+]1CCC[C@H](CNC(=O)CCCc2nc(-c3ccccc3C)no2)C1 ZINC000065374980 222126553 /nfs/dbraw/zinc/12/65/53/222126553.db2.gz KDQUZJLFLMFTNI-GOSISDBHSA-N 1 1 384.524 3.606 50 0 GHAAMO C[N@H+]1CCC[C@H]1CN1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067679087 222153289 /nfs/dbraw/zinc/15/32/89/222153289.db2.gz RFGCXJWDRXKCPE-KRWDZBQOSA-N 1 1 395.528 3.958 50 0 GHAAMO Cc1nsc(NC(=O)c2cccc(C[N@H+]3CCC[C@H]3c3ccccn3)c2)n1 ZINC000067692935 222156555 /nfs/dbraw/zinc/15/65/55/222156555.db2.gz DPBFUPAAKDAECF-SFHVURJKSA-N 1 1 379.489 3.831 50 0 GHAAMO Oc1cc(-c2csc3ccccc23)cc2c1OCC[N@H+](CCn1cncn1)C2 ZINC000067727233 222158269 /nfs/dbraw/zinc/15/82/69/222158269.db2.gz SOYFXDVOJNDKJN-UHFFFAOYSA-N 1 1 392.484 3.760 50 0 GHAAMO Oc1cc(-c2csc3ccccc23)cc2c1OCC[N@@H+](CCn1cncn1)C2 ZINC000067727233 222158272 /nfs/dbraw/zinc/15/82/72/222158272.db2.gz SOYFXDVOJNDKJN-UHFFFAOYSA-N 1 1 392.484 3.760 50 0 GHAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1 ZINC000067872860 222165334 /nfs/dbraw/zinc/16/53/34/222165334.db2.gz UHYZGJDDYKNBHG-AWEZNQCLSA-N 1 1 381.455 3.682 50 0 GHAAMO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1cccc(C(=O)Nc2ncns2)c1 ZINC000067983455 222171417 /nfs/dbraw/zinc/17/14/17/222171417.db2.gz JVJWFCVENDTDRB-MRXNPFEDSA-N 1 1 383.477 3.732 50 0 GHAAMO C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000068845511 222173427 /nfs/dbraw/zinc/17/34/27/222173427.db2.gz LKKXZLZCBRMYMC-LJQANCHMSA-N 1 1 385.504 3.627 50 0 GHAAMO CC(=O)c1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc1 ZINC000072119479 222207292 /nfs/dbraw/zinc/20/72/92/222207292.db2.gz SFWWMJSSSAWRQD-YTFSRNRJSA-N 1 1 392.474 3.731 50 0 GHAAMO CCCc1ncc(C[N@H+]2C[C@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000072135215 222210024 /nfs/dbraw/zinc/21/00/24/222210024.db2.gz VFSNDXUZEYFGLM-GMKZXUHWSA-N 1 1 376.548 3.800 50 0 GHAAMO CCCc1ncc(CN2C[C@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000072135215 222210027 /nfs/dbraw/zinc/21/00/27/222210027.db2.gz VFSNDXUZEYFGLM-GMKZXUHWSA-N 1 1 376.548 3.800 50 0 GHAAMO CCOc1ccccc1CN1CCn2nc(C[N@H+]3C[C@H]4C[C@@H]3CCC4)cc2C1 ZINC000072158736 222213356 /nfs/dbraw/zinc/21/33/56/222213356.db2.gz FMDPLKKUYPXUNS-NQIIRXRSSA-N 1 1 380.536 3.672 50 0 GHAAMO COc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)ccn1 ZINC000072165250 222215355 /nfs/dbraw/zinc/21/53/55/222215355.db2.gz UAYICBVLJZPCAV-HXUWFJFHSA-N 1 1 385.483 3.602 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000072308993 222222719 /nfs/dbraw/zinc/22/27/19/222222719.db2.gz NLOUWRGGBHCEKD-DZGCQCFKSA-N 1 1 384.351 3.984 50 0 GHAAMO CC(C)Oc1cccc2c1c(NC(=O)[C@@H]1CC[N@@H+](C)C1)nn2Cc1ccccc1 ZINC000072432752 222260502 /nfs/dbraw/zinc/26/05/02/222260502.db2.gz GLLLCESXTQKAFJ-GOSISDBHSA-N 1 1 392.503 3.762 50 0 GHAAMO COc1ccc(-n2cc(C[N@H+]3CCC[C@@H](O)C3)c(-c3cccc(F)c3)n2)cc1 ZINC000072439946 222260623 /nfs/dbraw/zinc/26/06/23/222260623.db2.gz NVYAMAWHWHXSHV-HXUWFJFHSA-N 1 1 381.451 3.644 50 0 GHAAMO O=C(CCCn1ccnc1)N1CCC[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000072469984 222263931 /nfs/dbraw/zinc/26/39/31/222263931.db2.gz KNWQXOONRIUOLZ-QHCPKHFHSA-N 1 1 380.536 3.568 50 0 GHAAMO C[NH+](C)CCN(c1ccccc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000089314310 222326375 /nfs/dbraw/zinc/32/63/75/222326375.db2.gz BDCSLPLXDWJRCW-UHFFFAOYSA-N 1 1 387.332 3.891 50 0 GHAAMO CCCCOC(=O)N1CCC[C@H](C(=O)Nc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000095502003 222334121 /nfs/dbraw/zinc/33/41/21/222334121.db2.gz QDSFZTVGBXXQOR-KRWDZBQOSA-N 1 1 384.480 3.768 50 0 GHAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)C(=O)c3cccn3C3CC3)C2)cc1 ZINC000095508273 222340884 /nfs/dbraw/zinc/34/08/84/222340884.db2.gz VAFNGOVDLBJFMX-HXUWFJFHSA-N 1 1 395.547 3.858 50 0 GHAAMO CCc1nc(C[NH+]2CCC3(CC(=O)N(Cc4cccc(OC)c4)C3)CC2)cs1 ZINC000095517782 222344385 /nfs/dbraw/zinc/34/43/85/222344385.db2.gz YTXKMAXODUKKLC-UHFFFAOYSA-N 1 1 399.560 3.729 50 0 GHAAMO CCN(C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CCCC1 ZINC000082134827 222310992 /nfs/dbraw/zinc/31/09/92/222310992.db2.gz IBBDUUCLLUBLSO-NRFANRHFSA-N 1 1 398.595 3.549 50 0 GHAAMO CCCCc1nc(Cl)c(CN2C[C@@H]3CC[N@@H+](Cc4cccc(C)n4)[C@@H]3C2)[nH]1 ZINC000082157364 222311133 /nfs/dbraw/zinc/31/11/33/222311133.db2.gz MXNNKXYOMJWNAP-QFBILLFUSA-N 1 1 387.959 3.815 50 0 GHAAMO COc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)Cc3cccs3)C2)c(F)c1 ZINC000082139199 222311192 /nfs/dbraw/zinc/31/11/92/222311192.db2.gz QMUOOEWVRMICKN-MRXNPFEDSA-N 1 1 376.497 3.609 50 0 GHAAMO COc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)Cc3cccs3)C2)c(F)c1 ZINC000082139199 222311193 /nfs/dbraw/zinc/31/11/93/222311193.db2.gz QMUOOEWVRMICKN-MRXNPFEDSA-N 1 1 376.497 3.609 50 0 GHAAMO C[N@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)c2cccc3nccnc32)C1 ZINC000095528754 222352105 /nfs/dbraw/zinc/35/21/05/222352105.db2.gz YXVYKYJKFWQDLX-FQEVSTJZSA-N 1 1 388.515 3.657 50 0 GHAAMO CCN(Cc1nnc(-c2ccc(F)cc2)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095940577 222361627 /nfs/dbraw/zinc/36/16/27/222361627.db2.gz BKKDQVXILASFLH-FQEVSTJZSA-N 1 1 380.467 3.972 50 0 GHAAMO CN(C)Cc1nc2scc(-c3ccccc3)c2c(NCCc2[nH+]ccn2C)n1 ZINC000095947668 222362360 /nfs/dbraw/zinc/36/23/60/222362360.db2.gz LLXJEURHNYUELZ-UHFFFAOYSA-N 1 1 392.532 3.808 50 0 GHAAMO C[C@@H](Cn1cncn1)Nc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000095957750 222364039 /nfs/dbraw/zinc/36/40/39/222364039.db2.gz OVAUTYWAYGAMML-AWEZNQCLSA-N 1 1 393.520 3.512 50 0 GHAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)N2CCCC[C@@H]2CCn2ccnc2)cc1 ZINC000096138852 222386497 /nfs/dbraw/zinc/38/64/97/222386497.db2.gz MTRFZCQNOHUADG-LJQANCHMSA-N 1 1 378.480 3.854 50 0 GHAAMO COc1ccc(F)c(F)c1C[N@H+]1CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12 ZINC000426544496 533907362 /nfs/dbraw/zinc/90/73/62/533907362.db2.gz ULXMMDBMSYIJQJ-PAXLWEDBSA-N 1 1 381.463 3.912 50 0 GHAAMO CCCc1ncncc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000426507827 528769274 /nfs/dbraw/zinc/76/92/74/528769274.db2.gz DIMHWICVLBWOJB-QHCPKHFHSA-N 1 1 384.568 3.938 50 0 GHAAMO CC(C)[N@H+]1CCCC[C@@H]1CCNC(=O)N(C)Cc1cc(-c2cccnc2)no1 ZINC000426705653 529005362 /nfs/dbraw/zinc/00/53/62/529005362.db2.gz IRWRJDSLIMFFLZ-GOSISDBHSA-N 1 1 385.512 3.531 50 0 GHAAMO CCn1cc(C[N@H+]2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)cn1 ZINC000072434369 536053150 /nfs/dbraw/zinc/05/31/50/536053150.db2.gz TWJZBJMEWJLCIK-UHFFFAOYSA-N 1 1 393.457 3.952 50 0 GHAAMO COc1ccc2c(C)cc(N3CCC4(CC3)Nc3ccccc3NC4=O)[nH+]c2c1 ZINC000082160877 536963703 /nfs/dbraw/zinc/96/37/03/536963703.db2.gz PONNYQKNKUJBIT-UHFFFAOYSA-N 1 1 388.471 3.955 50 0 GHAAMO COc1cccc(CC2(CO)CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000019790923 570219561 /nfs/dbraw/zinc/21/95/61/570219561.db2.gz XFKNDWYTBFCOJI-QHCPKHFHSA-N 1 1 394.559 3.587 50 0 GHAAMO COc1cccc(CC2(CO)CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000019790923 570219562 /nfs/dbraw/zinc/21/95/62/570219562.db2.gz XFKNDWYTBFCOJI-QHCPKHFHSA-N 1 1 394.559 3.587 50 0 GHAAMO COc1ccc(Cl)cc1NC(=S)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019859225 570226039 /nfs/dbraw/zinc/22/60/39/570226039.db2.gz ZGSORZRGZCGCHD-UHFFFAOYSA-N 1 1 375.925 3.863 50 0 GHAAMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000048274549 570229520 /nfs/dbraw/zinc/22/95/20/570229520.db2.gz YGUWGELONZWOBR-OAHLLOKOSA-N 1 1 378.501 3.567 50 0 GHAAMO CC[C@H]1CN(C(=O)c2ccc(NCc3ccc(OC)cc3)nc2)CC[N@H+]1C(C)C ZINC000096731000 570231796 /nfs/dbraw/zinc/23/17/96/570231796.db2.gz MBIRNWPJBYHKHL-FQEVSTJZSA-N 1 1 396.535 3.647 50 0 GHAAMO C[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C[C@@H](O)c1ccccc1 ZINC000020233468 570249346 /nfs/dbraw/zinc/24/93/46/570249346.db2.gz IYKOLXVFMWJNRZ-MRXNPFEDSA-N 1 1 377.366 3.921 50 0 GHAAMO C[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C[C@@H](O)c1ccccc1 ZINC000020233468 570249349 /nfs/dbraw/zinc/24/93/49/570249349.db2.gz IYKOLXVFMWJNRZ-MRXNPFEDSA-N 1 1 377.366 3.921 50 0 GHAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(Cl)cc3)C[C@H]2CCO)cc1C ZINC000104292246 570256422 /nfs/dbraw/zinc/25/64/22/570256422.db2.gz RIFFVJSEYGGDGQ-OAQYLSRUSA-N 1 1 388.939 3.726 50 0 GHAAMO CN(Cc1cnn(C)c1)C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000020535294 570265806 /nfs/dbraw/zinc/26/58/06/570265806.db2.gz FDBZHGXIESWZGH-SFHVURJKSA-N 1 1 394.485 3.825 50 0 GHAAMO COc1ccccc1C[N@H+]1CCC[C@H](N2CCN(c3ccccc3C)CC2)C1 ZINC000020537495 570266298 /nfs/dbraw/zinc/26/62/98/570266298.db2.gz MXQBUTLLFIBLCE-QFIPXVFZSA-N 1 1 379.548 3.790 50 0 GHAAMO COc1ccccc1CN1CCC[C@H]([NH+]2CCN(c3ccccc3C)CC2)C1 ZINC000020537495 570266301 /nfs/dbraw/zinc/26/63/01/570266301.db2.gz MXQBUTLLFIBLCE-QFIPXVFZSA-N 1 1 379.548 3.790 50 0 GHAAMO CC(C)n1cc(-c2cc(C(=O)N3CCC[N@@H+](C)CC3)c3cc(F)ccc3n2)cn1 ZINC000020600706 570269922 /nfs/dbraw/zinc/26/99/22/570269922.db2.gz KJMNUIIRVFMIRI-UHFFFAOYSA-N 1 1 395.482 3.596 50 0 GHAAMO CC(=O)Oc1c(C)cc(OC[C@@H](O)C[N@@H+](C)CCCc2ccccc2)c(C)c1C ZINC000043190965 570271354 /nfs/dbraw/zinc/27/13/54/570271354.db2.gz AILWDFXLBVZFGF-QFIPXVFZSA-N 1 1 399.531 3.841 50 0 GHAAMO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC(=O)N(CC3CCCCC3)CC2)cc1 ZINC000020858391 570282392 /nfs/dbraw/zinc/28/23/92/570282392.db2.gz QBJNVIMRANMICQ-UHFFFAOYSA-N 1 1 396.535 3.700 50 0 GHAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccccc3OC(F)F)C[C@@H]2CCO)cc1 ZINC000020913055 570284539 /nfs/dbraw/zinc/28/45/39/570284539.db2.gz UWTCIHPCRPMEFR-FQEVSTJZSA-N 1 1 390.474 3.665 50 0 GHAAMO OCc1ccc2c(c1)C[N@@H+](Cc1cccc(OCc3ccccn3)c1)CCO2 ZINC000215137852 570286051 /nfs/dbraw/zinc/28/60/51/570286051.db2.gz ASVSVIGRDNEKNR-UHFFFAOYSA-N 1 1 376.456 3.548 50 0 GHAAMO OCc1ccc2c(c1)C[N@H+](Cc1cccc(OCc3ccccn3)c1)CCO2 ZINC000215137852 570286053 /nfs/dbraw/zinc/28/60/53/570286053.db2.gz ASVSVIGRDNEKNR-UHFFFAOYSA-N 1 1 376.456 3.548 50 0 GHAAMO Cc1c[nH]c(CN2CCC[N@@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c(C)c1=O ZINC000107029052 570308131 /nfs/dbraw/zinc/30/81/31/570308131.db2.gz ZVHWJIHGYVCXAR-JOCHJYFZSA-N 1 1 385.527 3.863 50 0 GHAAMO Cc1c[nH]c(C[N@@H+]2CCCN(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c(C)c1=O ZINC000107029052 570308135 /nfs/dbraw/zinc/30/81/35/570308135.db2.gz ZVHWJIHGYVCXAR-JOCHJYFZSA-N 1 1 385.527 3.863 50 0 GHAAMO Cc1c[nH]c(C[N@H+]2CCCN(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c(C)c1=O ZINC000107029052 570308137 /nfs/dbraw/zinc/30/81/37/570308137.db2.gz ZVHWJIHGYVCXAR-JOCHJYFZSA-N 1 1 385.527 3.863 50 0 GHAAMO C[NH+]1CCN([C@H](CNC(=O)Nc2cccc(Cl)c2)c2cccs2)CC1 ZINC000022424472 570316797 /nfs/dbraw/zinc/31/67/97/570316797.db2.gz ZTRQUSVZZQEKGX-MRXNPFEDSA-N 1 1 378.929 3.512 50 0 GHAAMO COc1ccccc1[C@@H](CNC(=O)COc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000022679101 570324231 /nfs/dbraw/zinc/32/42/31/570324231.db2.gz FTCNCCMDLNUYMI-HXUWFJFHSA-N 1 1 384.520 3.791 50 0 GHAAMO COc1cc(C[NH2+]Cc2cc(Br)ccc2F)cc(OC)c1OC ZINC000026317552 570324501 /nfs/dbraw/zinc/32/45/01/570324501.db2.gz OMIPIBVWIKAKOZ-UHFFFAOYSA-N 1 1 384.245 3.904 50 0 GHAAMO CCc1ccccc1NC(=O)CN1CC[NH+](CCSc2ccc(C)cc2)CC1 ZINC000022787189 570327836 /nfs/dbraw/zinc/32/78/36/570327836.db2.gz FLUAUCSGPWQUMR-UHFFFAOYSA-N 1 1 397.588 3.906 50 0 GHAAMO Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)N4CC[NH+](C)CC4)cc3)sc2c1 ZINC000022794948 570328238 /nfs/dbraw/zinc/32/82/38/570328238.db2.gz OHGOGKWWFPWSMM-INIZCTEOSA-N 1 1 394.544 3.846 50 0 GHAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(Cl)cc3)C[C@@H]2CCO)cc1C ZINC000022851174 570330720 /nfs/dbraw/zinc/33/07/20/570330720.db2.gz RIFFVJSEYGGDGQ-NRFANRHFSA-N 1 1 388.939 3.726 50 0 GHAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cnc3n2[C@H](C)CCC3)c2ccccc2C)CC1 ZINC000034905034 570339115 /nfs/dbraw/zinc/33/91/15/570339115.db2.gz QDUBZTOHPANNGC-TZIWHRDSSA-N 1 1 394.563 3.775 50 0 GHAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)C1CC1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000034855677 570341419 /nfs/dbraw/zinc/34/14/19/570341419.db2.gz XSWSRDRRSUVBGP-NRFANRHFSA-N 1 1 394.515 3.638 50 0 GHAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)C1CC1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000034855677 570341422 /nfs/dbraw/zinc/34/14/22/570341422.db2.gz XSWSRDRRSUVBGP-NRFANRHFSA-N 1 1 394.515 3.638 50 0 GHAAMO CN(CCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000023361173 570356701 /nfs/dbraw/zinc/35/67/01/570356701.db2.gz KABAHLIVUIANLA-VWLOTQADSA-N 1 1 392.591 3.685 50 0 GHAAMO CN(CCc1ccccc1)[C@H]1CCC[N@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000023361173 570356705 /nfs/dbraw/zinc/35/67/05/570356705.db2.gz KABAHLIVUIANLA-VWLOTQADSA-N 1 1 392.591 3.685 50 0 GHAAMO C[NH+]1CCN(c2nn3c(nc(-c4cccc(F)c4)c3NC(C)(C)C)s2)CC1 ZINC000035479820 570366979 /nfs/dbraw/zinc/36/69/79/570366979.db2.gz DXDRAHIAIGVWEV-UHFFFAOYSA-N 1 1 388.516 3.559 50 0 GHAAMO CC(C)[C@@H](CNC(=O)c1cc2ccccc2oc1=O)[N@H+]1CCc2ccccc2C1 ZINC000025536483 570415777 /nfs/dbraw/zinc/41/57/77/570415777.db2.gz KHPOBYOUXIESHF-OAQYLSRUSA-N 1 1 390.483 3.606 50 0 GHAAMO O=C(CC[N@H+]1CCC[C@@H]1c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000026913236 570430013 /nfs/dbraw/zinc/43/00/13/570430013.db2.gz NPBSUBGKDHULIY-JOCHJYFZSA-N 1 1 381.495 3.702 50 0 GHAAMO CCCOc1ccc(C(=O)CCC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000027674827 570440402 /nfs/dbraw/zinc/44/04/02/570440402.db2.gz XQNWFQDJQVYVCY-SFHVURJKSA-N 1 1 388.533 3.919 50 0 GHAAMO O=C([C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1)N1CCCCCC1 ZINC000006061166 570465479 /nfs/dbraw/zinc/46/54/79/570465479.db2.gz LFVDPVYUZWXEMZ-JOCHJYFZSA-N 1 1 383.580 3.766 50 0 GHAAMO COc1ccc(CC(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cc1OC ZINC000029636025 570477189 /nfs/dbraw/zinc/47/71/89/570477189.db2.gz BPBKKIYNYVELLT-UHFFFAOYSA-N 1 1 389.521 3.718 50 0 GHAAMO Cc1ccc(C)c(NC(=O)[C@@H](Sc2nc(N)cc(N)[nH+]2)c2ccccc2)c1 ZINC000005229203 570518342 /nfs/dbraw/zinc/51/83/42/570518342.db2.gz SLYNOTZWNXIJST-SFHVURJKSA-N 1 1 379.489 3.730 50 0 GHAAMO CC[C@H](CO)[N@@H+](CCCO[C@@H]1CCOC1)Cc1ccc(Cl)cc1Cl ZINC000072308527 570527042 /nfs/dbraw/zinc/52/70/42/570527042.db2.gz JJASTCMBNUTBMJ-IAGOWNOFSA-N 1 1 376.324 3.762 50 0 GHAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccc(OC)cc1)Cc1ccccc1F ZINC000036095359 570535095 /nfs/dbraw/zinc/53/50/95/570535095.db2.gz YPIOCDMKJZBJGC-LJQANCHMSA-N 1 1 389.467 3.541 50 0 GHAAMO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1ccc(OC)cc1)Cc1ccccc1F ZINC000036095359 570535097 /nfs/dbraw/zinc/53/50/97/570535097.db2.gz YPIOCDMKJZBJGC-LJQANCHMSA-N 1 1 389.467 3.541 50 0 GHAAMO O[C@]1(C(F)(F)F)C2=C([NH2+]N1c1nc3ccccc3s1)c1ccccc1OC2 ZINC000005275048 570548021 /nfs/dbraw/zinc/54/80/21/570548021.db2.gz SJANWJHLGDYGHJ-DIFFPNOSSA-N 1 1 391.374 3.780 50 0 GHAAMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(F)cc1Br ZINC000097592189 570554520 /nfs/dbraw/zinc/55/45/20/570554520.db2.gz ANJUOHQTDUKVNO-AWEZNQCLSA-N 1 1 391.284 3.935 50 0 GHAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(F)cc1Br ZINC000097592189 570554521 /nfs/dbraw/zinc/55/45/21/570554521.db2.gz ANJUOHQTDUKVNO-AWEZNQCLSA-N 1 1 391.284 3.935 50 0 GHAAMO COc1ccccc1N1CC[C@H](C)[N@@H+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000225665951 570600279 /nfs/dbraw/zinc/60/02/79/570600279.db2.gz KWNFFMBOXGBLBI-INIZCTEOSA-N 1 1 386.467 3.802 50 0 GHAAMO CCn1nc(C)c(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccc(OC)cc3)C2)c1C ZINC000012479747 570674442 /nfs/dbraw/zinc/67/44/42/570674442.db2.gz LPZDVDUFTIKUKY-QFIPXVFZSA-N 1 1 398.595 3.915 50 0 GHAAMO CCOc1ccc2oc(=O)cc(C[NH+]3CCN(c4ccccc4OC)CC3)c2c1 ZINC000057316930 570701896 /nfs/dbraw/zinc/70/18/96/570701896.db2.gz MARZFPJXCIWKFF-UHFFFAOYSA-N 1 1 394.471 3.523 50 0 GHAAMO COc1ccc(CC[N@@H+](C)C[C@H](O)COc2c(C)ccc(C)c2C)cc1OC ZINC000006940162 570713215 /nfs/dbraw/zinc/71/32/15/570713215.db2.gz IDMYKBZPXFQCOW-FQEVSTJZSA-N 1 1 387.520 3.543 50 0 GHAAMO O=C1CCCN1c1ccc(Oc2ccc3c(c2)CC[N@@H+](C2CCC2)CC3)nc1 ZINC000003961802 570722888 /nfs/dbraw/zinc/72/28/88/570722888.db2.gz YFRBKEVUUCQYOW-UHFFFAOYSA-N 1 1 377.488 3.954 50 0 investigational GHAAMO O=C(NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000036699930 570794818 /nfs/dbraw/zinc/79/48/18/570794818.db2.gz CFRYKCIYIFSPJA-GAWOJFTKSA-N 1 1 382.548 3.783 50 0 GHAAMO O=C(NCCC[N@H+]1CCO[C@H](c2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000036699930 570794822 /nfs/dbraw/zinc/79/48/22/570794822.db2.gz CFRYKCIYIFSPJA-GAWOJFTKSA-N 1 1 382.548 3.783 50 0 GHAAMO CC[NH+]1CCN(c2ncnc3c4c5c(c(C(C)C)nc4sc32)CCC5)CC1 ZINC000005888754 570800482 /nfs/dbraw/zinc/80/04/82/570800482.db2.gz QVVNTKXSBIXMTQ-UHFFFAOYSA-N 1 1 381.549 3.994 50 0 GHAAMO Cc1ccc(NC(=O)c2nc3ccccc3nc2N2CC[NH+](C)CC2)c(Cl)c1 ZINC000033086038 570808100 /nfs/dbraw/zinc/80/81/00/570808100.db2.gz LNJKOAOYIOISKE-UHFFFAOYSA-N 1 1 395.894 3.596 50 0 GHAAMO CCOC(=O)C1CC[NH+](CCOc2c(C)cc(C)cc2Br)CC1 ZINC000006703181 570832796 /nfs/dbraw/zinc/83/27/96/570832796.db2.gz HDELLJSIMANLSI-UHFFFAOYSA-N 1 1 384.314 3.720 50 0 GHAAMO CCc1cc2c(C[N@H+](C)Cc3cnn(-c4ccccc4)c3)cc(=O)oc2cc1O ZINC000015037726 570873058 /nfs/dbraw/zinc/87/30/58/570873058.db2.gz CNIQRJRIOSBIGF-UHFFFAOYSA-N 1 1 389.455 3.879 50 0 GHAAMO CCc1cc2c(C[N@@H+](C)Cc3cnn(-c4ccccc4)c3)cc(=O)oc2cc1O ZINC000015037726 570873059 /nfs/dbraw/zinc/87/30/59/570873059.db2.gz CNIQRJRIOSBIGF-UHFFFAOYSA-N 1 1 389.455 3.879 50 0 GHAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+]2Cc2cnn(C)c2)cc1 ZINC000015071837 570877498 /nfs/dbraw/zinc/87/74/98/570877498.db2.gz VJOZWAGUHDKMFV-JOCHJYFZSA-N 1 1 390.487 3.699 50 0 GHAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+]2Cc2cnn(C)c2)cc1 ZINC000015071837 570877501 /nfs/dbraw/zinc/87/75/01/570877501.db2.gz VJOZWAGUHDKMFV-JOCHJYFZSA-N 1 1 390.487 3.699 50 0 GHAAMO CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000032892865 570889759 /nfs/dbraw/zinc/88/97/59/570889759.db2.gz NKJOJHJBWSMDEY-QHCPKHFHSA-N 1 1 395.547 3.929 50 0 GHAAMO Cc1nn(C(F)F)cc1-c1cccc(C(=O)N(C)C[C@]2(C)CC[N@@H+](C)C2)c1 ZINC000299760718 570892378 /nfs/dbraw/zinc/89/23/78/570892378.db2.gz WYWIACYTRABGHS-HXUWFJFHSA-N 1 1 376.451 3.667 50 0 GHAAMO CCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000042685477 570892781 /nfs/dbraw/zinc/89/27/81/570892781.db2.gz YXAFATLPOQLGHO-LBPRGKRZSA-N 1 1 386.323 3.559 50 0 GHAAMO CCn1cc(-c2cccc(C(=O)N[C@H](C)C[N@H+]3CCc4ccccc4C3)c2)cn1 ZINC000299788566 570896050 /nfs/dbraw/zinc/89/60/50/570896050.db2.gz RDEQQRMMSRHKOO-GOSISDBHSA-N 1 1 388.515 3.747 50 0 GHAAMO C[C@@H]1CCCC[N@H+]1Cc1cccc(NC(=O)NCCCc2csc(N)n2)c1 ZINC000299801492 570898042 /nfs/dbraw/zinc/89/80/42/570898042.db2.gz ZJFNPJQNJVYFDG-OAHLLOKOSA-N 1 1 387.553 3.854 50 0 GHAAMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cnc4ccccn34)C2)cc1 ZINC000157916572 570914438 /nfs/dbraw/zinc/91/44/38/570914438.db2.gz SVFQDXFRPJLAFS-SFHVURJKSA-N 1 1 377.492 3.676 50 0 GHAAMO O=C(C[N@@H+](C1CC1)[C@H]1CCc2ccccc21)Nc1ccc(Br)cn1 ZINC000089858106 570917387 /nfs/dbraw/zinc/91/73/87/570917387.db2.gz OPDOOJGFUFXYGQ-KRWDZBQOSA-N 1 1 386.293 3.935 50 0 GHAAMO O=C(C[NH+]1CCCCC1)Nc1ccc(N2CCN(c3ccccc3)CC2)c(F)c1 ZINC000004053840 570926013 /nfs/dbraw/zinc/92/60/13/570926013.db2.gz RJAPIRANGILZMG-UHFFFAOYSA-N 1 1 396.510 3.577 50 0 GHAAMO CC(C)C(=O)N[C@H](C)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023181425 570943973 /nfs/dbraw/zinc/94/39/73/570943973.db2.gz RWGLNYQBGNIIPC-UZLBHIALSA-N 1 1 389.540 3.911 50 0 GHAAMO Cc1ccc(Br)cc1NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000252506472 570978844 /nfs/dbraw/zinc/97/88/44/570978844.db2.gz TVPPPPDLSLODHU-LXZKKBNFSA-N 1 1 378.314 3.706 50 0 GHAAMO O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)Nc1cccc2ccccc21 ZINC000044901254 570981830 /nfs/dbraw/zinc/98/18/30/570981830.db2.gz MFFWZQVNZDCNFQ-UHFFFAOYSA-N 1 1 392.455 3.796 50 0 GHAAMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CCN(c2ccccc2F)C1=O ZINC000252512749 570982093 /nfs/dbraw/zinc/98/20/93/570982093.db2.gz VGLFMOVCZSFDAJ-KXXHFCIOSA-N 1 1 395.522 3.677 50 0 GHAAMO Cc1cccc(Oc2ccc(NC(=O)C[N@@H+]3CCC[C@@H](c4nnc[nH]4)C3)cc2)c1 ZINC000252535856 570990834 /nfs/dbraw/zinc/99/08/34/570990834.db2.gz HASOMTALGFRHLJ-QGZVFWFLSA-N 1 1 391.475 3.724 50 0 GHAAMO Cc1cccc(Oc2ccc(NC(=O)C[N@H+]3CCC[C@@H](c4nnc[nH]4)C3)cc2)c1 ZINC000252535856 570990840 /nfs/dbraw/zinc/99/08/40/570990840.db2.gz HASOMTALGFRHLJ-QGZVFWFLSA-N 1 1 391.475 3.724 50 0 GHAAMO COCC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000045974081 571006937 /nfs/dbraw/zinc/00/69/37/571006937.db2.gz BBCOXGDGYOLUBO-UHFFFAOYSA-N 1 1 379.504 3.775 50 0 GHAAMO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccncc3F)CC2)C1 ZINC000091435183 571007789 /nfs/dbraw/zinc/00/77/89/571007789.db2.gz HZMGBZQLNWHVEP-IBGZPJMESA-N 1 1 381.495 3.953 50 0 GHAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2c[nH]nc2-c2cccc(F)c2)cc1 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GHAAMO COC(=O)c1cccc(C(=O)N(C)[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)c1 ZINC000011879423 221134641 /nfs/dbraw/zinc/13/46/41/221134641.db2.gz FAXAGDUFNJFDLU-QFIPXVFZSA-N 1 1 394.515 3.642 50 0 GHAAMO COc1ccc(N[C@@H]2CCC[N@@H+](Cc3cc(OC)c(OC)cc3OC)C2)cc1 ZINC000011937648 221138381 /nfs/dbraw/zinc/13/83/81/221138381.db2.gz YYCOXJPCURSTAT-GOSISDBHSA-N 1 1 386.492 3.798 50 0 GHAAMO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](C2CCN(CC)CC2)C1 ZINC000011945481 221141350 /nfs/dbraw/zinc/14/13/50/221141350.db2.gz MVMPWFOBDSRGOX-QHCPKHFHSA-N 1 1 388.552 3.585 50 0 GHAAMO O[C@H](COc1ccc(CNCc2ccccc2Cl)cc1)C[NH+]1CCCCC1 ZINC000012074751 221148899 /nfs/dbraw/zinc/14/88/99/221148899.db2.gz HELJWKBFDCRQSM-FQEVSTJZSA-N 1 1 388.939 3.855 50 0 GHAAMO Cn1cc(C[N@H+]2CCCN(C=O)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012297912 221176640 /nfs/dbraw/zinc/17/66/40/221176640.db2.gz KNWLFLHFGRJMMA-UHFFFAOYSA-N 1 1 380.536 3.799 50 0 GHAAMO Cc1nc(CC(C)C)cc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1 ZINC000012456990 221198961 /nfs/dbraw/zinc/19/89/61/221198961.db2.gz GNNFUYBRRBLCFQ-NRFANRHFSA-N 1 1 380.536 3.720 50 0 GHAAMO CC[C@@H]1CCCC[N@H+]1CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000012568490 221208556 /nfs/dbraw/zinc/20/85/56/221208556.db2.gz LKFDRYBQPWAZAE-QPPBQGQZSA-N 1 1 391.515 3.898 50 0 GHAAMO COc1ccccc1C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000012578867 221210367 /nfs/dbraw/zinc/21/03/67/221210367.db2.gz HYPLZHUOLGOMJP-QHCPKHFHSA-N 1 1 382.479 3.849 50 0 GHAAMO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012796789 221233567 /nfs/dbraw/zinc/23/35/67/221233567.db2.gz ZOGQRYBPPPOCRC-KNQAVFIVSA-N 1 1 380.488 3.814 50 0 GHAAMO CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012796789 221233569 /nfs/dbraw/zinc/23/35/69/221233569.db2.gz ZOGQRYBPPPOCRC-KNQAVFIVSA-N 1 1 380.488 3.814 50 0 GHAAMO C[N@H+](CCC(=O)Nc1ccccc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000012767677 221228910 /nfs/dbraw/zinc/22/89/10/221228910.db2.gz JQOHNWIZEJPXAA-UHFFFAOYSA-N 1 1 380.275 3.893 50 0 GHAAMO C[N@@H+](CCC(=O)Nc1ccccc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000012767677 221228913 /nfs/dbraw/zinc/22/89/13/221228913.db2.gz JQOHNWIZEJPXAA-UHFFFAOYSA-N 1 1 380.275 3.893 50 0 GHAAMO C[N@H+](CCC(=O)Nc1cccc(F)c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012793291 221232591 /nfs/dbraw/zinc/23/25/91/221232591.db2.gz CQHJBBDBEBZRTC-UHFFFAOYSA-N 1 1 397.372 3.744 50 0 GHAAMO C[N@@H+](CCC(=O)Nc1cccc(F)c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012793291 221232593 /nfs/dbraw/zinc/23/25/93/221232593.db2.gz CQHJBBDBEBZRTC-UHFFFAOYSA-N 1 1 397.372 3.744 50 0 GHAAMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1F ZINC000012809519 221234889 /nfs/dbraw/zinc/23/48/89/221234889.db2.gz SGWOTDFKCFXPOJ-IAGOWNOFSA-N 1 1 383.467 3.812 50 0 GHAAMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1F ZINC000012809519 221234892 /nfs/dbraw/zinc/23/48/92/221234892.db2.gz SGWOTDFKCFXPOJ-IAGOWNOFSA-N 1 1 383.467 3.812 50 0 GHAAMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1F ZINC000012809523 221235067 /nfs/dbraw/zinc/23/50/67/221235067.db2.gz SGWOTDFKCFXPOJ-DLBZAZTESA-N 1 1 383.467 3.812 50 0 GHAAMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1F ZINC000012809523 221235068 /nfs/dbraw/zinc/23/50/68/221235068.db2.gz SGWOTDFKCFXPOJ-DLBZAZTESA-N 1 1 383.467 3.812 50 0 GHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000013010509 221257098 /nfs/dbraw/zinc/25/70/98/221257098.db2.gz IAEHSBOBCSPEPJ-LJQANCHMSA-N 1 1 380.488 3.957 50 0 GHAAMO COc1cccc(C[C@@]2(CO)CCC[N@@H+](Cc3cnn(-c4ccccc4)c3)C2)c1 ZINC000013593416 221275677 /nfs/dbraw/zinc/27/56/77/221275677.db2.gz LODWRHCGKZZRLW-DEOSSOPVSA-N 1 1 391.515 3.698 50 0 GHAAMO O=C(c1ccco1)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014961193 221320746 /nfs/dbraw/zinc/32/07/46/221320746.db2.gz INWQANQNCFKPAJ-HXUWFJFHSA-N 1 1 387.568 3.862 50 0 GHAAMO O=C(c1ccco1)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014961193 221320750 /nfs/dbraw/zinc/32/07/50/221320750.db2.gz INWQANQNCFKPAJ-HXUWFJFHSA-N 1 1 387.568 3.862 50 0 GHAAMO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000015350379 221335115 /nfs/dbraw/zinc/33/51/15/221335115.db2.gz QENSIGLAJLQUMI-HKUYNNGSSA-N 1 1 380.488 3.956 50 0 GHAAMO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000015350379 221335117 /nfs/dbraw/zinc/33/51/17/221335117.db2.gz QENSIGLAJLQUMI-HKUYNNGSSA-N 1 1 380.488 3.956 50 0 GHAAMO COc1cc(C)c(C[N@@H+]2CCc3nnc(CCc4ccccc4)n3CC2)cc1C ZINC000014993307 221324775 /nfs/dbraw/zinc/32/47/75/221324775.db2.gz SNFCLJVJIJVDOX-UHFFFAOYSA-N 1 1 390.531 3.747 50 0 GHAAMO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000015543968 221337502 /nfs/dbraw/zinc/33/75/02/221337502.db2.gz XUBRCVHONBKIKR-UHFFFAOYSA-N 1 1 385.552 3.611 50 0 GHAAMO CC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000016661313 221367833 /nfs/dbraw/zinc/36/78/33/221367833.db2.gz QHPKUULIFZOKFI-IBGZPJMESA-N 1 1 386.511 3.685 50 0 GHAAMO O=C(Cc1csc(Nc2ccccc2)n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016849992 221373174 /nfs/dbraw/zinc/37/31/74/221373174.db2.gz GZSHPUSNLXGJHT-UHFFFAOYSA-N 1 1 392.528 3.774 50 0 GHAAMO COc1ccccc1N1CC[NH+](Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000039978271 132392014 /nfs/dbraw/zinc/39/20/14/132392014.db2.gz WPORPAGSLDJPDA-UHFFFAOYSA-N 1 1 378.419 3.627 50 0 GHAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000058021523 136154335 /nfs/dbraw/zinc/15/43/35/136154335.db2.gz CUFHNJZAPXYCCG-UHFFFAOYSA-N 1 1 393.318 3.937 50 0 GHAAMO Cc1cccc(N2CCC(N3CC[N@H+](C4CCCCC4)[C@@H](CCO)C3)CC2)c1C ZINC000020208366 136202656 /nfs/dbraw/zinc/20/26/56/136202656.db2.gz NQXNYDGQYLLNIY-DEOSSOPVSA-N 1 1 399.623 3.974 50 0 GHAAMO Cc1cccc(N2CCC([N@@H+]3CCN(C4CCCCC4)[C@@H](CCO)C3)CC2)c1C ZINC000020208366 136202657 /nfs/dbraw/zinc/20/26/57/136202657.db2.gz NQXNYDGQYLLNIY-DEOSSOPVSA-N 1 1 399.623 3.974 50 0 GHAAMO Cc1cccc(N2CCC([N@H+]3CCN(C4CCCCC4)[C@@H](CCO)C3)CC2)c1C ZINC000020208366 136202658 /nfs/dbraw/zinc/20/26/58/136202658.db2.gz NQXNYDGQYLLNIY-DEOSSOPVSA-N 1 1 399.623 3.974 50 0 GHAAMO CCN1CC[NH+](Cc2ccc(NC(=O)Cc3c(C)[nH]c4ccccc43)cc2)CC1 ZINC000052877188 222008265 /nfs/dbraw/zinc/00/82/65/222008265.db2.gz UOBSOGCHMZQQJH-UHFFFAOYSA-N 1 1 390.531 3.795 50 0 GHAAMO COc1ccccc1CNC(=O)c1cc2c(n1C)CC[N@H+](Cc1ccccc1)C2 ZINC000065210813 222111489 /nfs/dbraw/zinc/11/14/89/222111489.db2.gz VZQIIIJCMHSPAK-UHFFFAOYSA-N 1 1 389.499 3.522 50 0 GHAAMO COc1ccccc1CNC(=O)c1cc2c(n1C)CC[N@@H+](Cc1ccccc1)C2 ZINC000065210813 222111493 /nfs/dbraw/zinc/11/14/93/222111493.db2.gz VZQIIIJCMHSPAK-UHFFFAOYSA-N 1 1 389.499 3.522 50 0 GHAAMO Cc1[nH+]ccn1-c1ccc(CNc2ccc(S(=O)(=O)C(F)F)cc2)cc1F ZINC000058413452 222052792 /nfs/dbraw/zinc/05/27/92/222052792.db2.gz OUGNVVLCNBYHOF-UHFFFAOYSA-N 1 1 395.406 3.928 50 0 GHAAMO COc1c(C(=O)NCC[N@@H+]2CCc3ccccc3C2)sc2cccc(F)c21 ZINC000064756386 222080207 /nfs/dbraw/zinc/08/02/07/222080207.db2.gz CETMYAQSEZXMBX-UHFFFAOYSA-N 1 1 384.476 3.837 50 0 GHAAMO COc1c(C(=O)NCC[N@H+]2CCc3ccccc3C2)sc2cccc(F)c21 ZINC000064756386 222080209 /nfs/dbraw/zinc/08/02/09/222080209.db2.gz CETMYAQSEZXMBX-UHFFFAOYSA-N 1 1 384.476 3.837 50 0 GHAAMO Cc1[nH+]c2cc3c(cc2n1CC(=O)Nc1ccc(F)c(Cl)c1)OCCO3 ZINC000064794946 222082189 /nfs/dbraw/zinc/08/21/89/222082189.db2.gz MEURSPFHQSXJFI-UHFFFAOYSA-N 1 1 375.787 3.547 50 0 GHAAMO Cc1cccc(C)c1CN1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071749022 222189203 /nfs/dbraw/zinc/18/92/03/222189203.db2.gz LRPOEKPVESNYOZ-OAQYLSRUSA-N 1 1 383.580 3.602 50 0 GHAAMO CC(=O)NC1CC[NH+](Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)CC1 ZINC000067539970 222148104 /nfs/dbraw/zinc/14/81/04/222148104.db2.gz ZHLFNFIMOWIXNM-UHFFFAOYSA-N 1 1 381.398 3.769 50 0 GHAAMO CCNc1cc(N2CCN(C(=O)Nc3ccc(C)cc3Cl)CC2)[nH+]c(C)n1 ZINC000067601881 222148747 /nfs/dbraw/zinc/14/87/47/222148747.db2.gz WOVTXHUWWDQROV-UHFFFAOYSA-N 1 1 388.903 3.533 50 0 GHAAMO CCN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1csc2nc(-c3cccc(F)c3)cn12 ZINC000067946762 222169171 /nfs/dbraw/zinc/16/91/71/222169171.db2.gz OIWAAHQBENYMKY-CQSZACIVSA-N 1 1 386.496 3.616 50 0 GHAAMO CC(C)c1cc(C[N@@H+](C)C[C@@]2(O)CCCN(CCC3CCCCC3)C2=O)on1 ZINC000067965429 222169519 /nfs/dbraw/zinc/16/95/19/222169519.db2.gz LCUIFVMPBUFQHG-QFIPXVFZSA-N 1 1 391.556 3.554 50 0 GHAAMO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)Nc2ncns2)c1 ZINC000067983454 222171525 /nfs/dbraw/zinc/17/15/25/222171525.db2.gz JVJWFCVENDTDRB-INIZCTEOSA-N 1 1 383.477 3.732 50 0 GHAAMO COc1ccc(OC)c(-c2nc(C[N@H+]3CC[C@@]4(O)CCCC[C@H]4C3)c(C)o2)c1 ZINC000071763027 222193987 /nfs/dbraw/zinc/19/39/87/222193987.db2.gz USJHDKVBMPFBEH-AOMKIAJQSA-N 1 1 386.492 3.794 50 0 GHAAMO Cc1ccc(-n2cc(C[N@@H+]3CCC(=O)NC[C@@H]3C)c(-c3cccc(C)c3)n2)cc1 ZINC000072480334 222267001 /nfs/dbraw/zinc/26/70/01/222267001.db2.gz GPJLYARKIQMWNH-IBGZPJMESA-N 1 1 388.515 3.867 50 0 GHAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000072431003 222261528 /nfs/dbraw/zinc/26/15/28/222261528.db2.gz JOAPQXUIYCSXNQ-UHFFFAOYSA-N 1 1 389.499 3.883 50 0 GHAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCc3n[nH]cc3C2)c1 ZINC000072434392 222261602 /nfs/dbraw/zinc/26/16/02/222261602.db2.gz CIVJNVOMHYDAKN-UHFFFAOYSA-N 1 1 385.471 3.829 50 0 GHAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCc3n[nH]cc3C2)c1 ZINC000072434392 222261604 /nfs/dbraw/zinc/26/16/04/222261604.db2.gz CIVJNVOMHYDAKN-UHFFFAOYSA-N 1 1 385.471 3.829 50 0 GHAAMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@@H](c2n[nH]cc2-c2ccc(C)cc2)C1 ZINC000077322272 222278207 /nfs/dbraw/zinc/27/82/07/222278207.db2.gz ZAPFZFNCDKHHLJ-LJQANCHMSA-N 1 1 377.492 3.686 50 0 GHAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)CCc1nc(-c2ccccc2)no1 ZINC000077377232 222280034 /nfs/dbraw/zinc/28/00/34/222280034.db2.gz ZZECDYGDBAGMFP-LJQANCHMSA-N 1 1 393.491 3.646 50 0 GHAAMO O=C1CC[C@@]2(CCC[N@H+](Cc3cccc(O)c3)C2)CN1CCc1ccccc1 ZINC000082096587 222308516 /nfs/dbraw/zinc/30/85/16/222308516.db2.gz PAJDSMZKAPJZBD-XMMPIXPASA-N 1 1 378.516 3.840 50 0 GHAAMO Cc1ncc(C(=O)N2CCC[N@H+](C3CCCCC3)CC2)c(-c2ccccc2)n1 ZINC000082120066 222310452 /nfs/dbraw/zinc/31/04/52/222310452.db2.gz QLTLEAWOWUEHDT-UHFFFAOYSA-N 1 1 378.520 3.933 50 0 GHAAMO O=C(c1cnco1)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000095522832 222349159 /nfs/dbraw/zinc/34/91/59/222349159.db2.gz NBDGMPTUNUMSND-LJQANCHMSA-N 1 1 382.508 3.757 50 0 GHAAMO Cc1nc(C[NH+]2CCC3(CC(=O)N(C/C=C/c4ccccc4)C3)CC2)cs1 ZINC000095527444 222349912 /nfs/dbraw/zinc/34/99/12/222349912.db2.gz XHAHHCIKDGGVNH-VMPITWQZSA-N 1 1 381.545 3.979 50 0 GHAAMO Cc1c(NC(=O)NCC2([NH+]3CCOCC3)CCCC2)cccc1-n1cccc1 ZINC000096164470 222394943 /nfs/dbraw/zinc/39/49/43/222394943.db2.gz COOLJBYRZPHVSS-UHFFFAOYSA-N 1 1 382.508 3.552 50 0 GHAAMO CCCN(Cc1cccnc1)C(=O)NCC[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000426509255 528148702 /nfs/dbraw/zinc/14/87/02/528148702.db2.gz CPHZILSXKWCKCN-NRFANRHFSA-N 1 1 380.536 3.801 50 0 GHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2ccc3cc[nH]c(=O)c3c2)cc1 ZINC000426615351 529106101 /nfs/dbraw/zinc/10/61/01/529106101.db2.gz BUTXFZAKVUXALF-FQEVSTJZSA-N 1 1 375.472 3.822 50 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O=C(CN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)Nc1cc(F)cc(F)c1 ZINC000022845537 570556934 /nfs/dbraw/zinc/55/69/34/570556934.db2.gz LTRJDPWUMWKGOC-UHFFFAOYSA-N 1 1 393.865 3.765 50 0 GHAAMO CCOc1ccc(CN2CC[N@@H+](CCCc3ccccc3)[C@H](CCO)C2)cc1 ZINC000036384461 570564900 /nfs/dbraw/zinc/56/49/00/570564900.db2.gz HCJLYYOSAMTJBN-HSZRJFAPSA-N 1 1 382.548 3.587 50 0 GHAAMO COc1ccccc1N1CC[C@@H](C)[N@@H+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000225665978 570600167 /nfs/dbraw/zinc/60/01/67/570600167.db2.gz KWNFFMBOXGBLBI-MRXNPFEDSA-N 1 1 386.467 3.802 50 0 GHAAMO COC(=O)Nc1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000072313589 570651799 /nfs/dbraw/zinc/65/17/99/570651799.db2.gz AYRJCXLMOMJKGR-INIZCTEOSA-N 1 1 382.464 3.603 50 0 GHAAMO COC(=O)Nc1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000072313589 570651802 /nfs/dbraw/zinc/65/18/02/570651802.db2.gz AYRJCXLMOMJKGR-INIZCTEOSA-N 1 1 382.464 3.603 50 0 GHAAMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1cccn1C)c1ccc(Br)cc1 ZINC000036385078 570657294 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391.450 3.630 50 0 GHAAMO O[C@H]1C[N@H+](C2CCN(c3ccc(C(F)(F)F)cn3)CC2)Cc2ccccc21 ZINC000082146778 136174189 /nfs/dbraw/zinc/17/41/89/136174189.db2.gz LYQWSXUEMNOXJR-SFHVURJKSA-N 1 1 377.410 3.618 50 0 GHAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)CCC3CCCCC3)CC2)[nH+]1 ZINC000082230410 136174476 /nfs/dbraw/zinc/17/44/76/136174476.db2.gz VSHVCIXVIAOKSK-UHFFFAOYSA-N 1 1 399.583 3.784 50 0 GHAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(c1cc(C)c3ccc(F)cc3n1)CC2 ZINC000091755954 136177059 /nfs/dbraw/zinc/17/70/59/136177059.db2.gz ARXLMHNCJAMKLR-UHFFFAOYSA-N 1 1 379.483 3.779 50 0 GHAAMO Cc1ccccc1N1CC[N@H+](Cc2ccc(Sc3nncn3C)o2)[C@@H](C)C1 ZINC000106271143 136191590 /nfs/dbraw/zinc/19/15/90/136191590.db2.gz JFMXSEYYOJRWIM-INIZCTEOSA-N 1 1 383.521 3.578 50 0 GHAAMO Cc1ccccc1N1CC[N@@H+](Cc2ccc(Sc3nncn3C)o2)[C@@H](C)C1 ZINC000106271143 136191591 /nfs/dbraw/zinc/19/15/91/136191591.db2.gz JFMXSEYYOJRWIM-INIZCTEOSA-N 1 1 383.521 3.578 50 0 GHAAMO Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[N@@H+](C)Cc1ccccc1 ZINC000008717445 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3.536 50 0 GHAAMO CCOc1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)ccc1OCc1cccnc1 ZINC000058104158 222039664 /nfs/dbraw/zinc/03/96/64/222039664.db2.gz PQACLNJVEDJZGA-SFHVURJKSA-N 1 1 397.519 3.519 50 0 GHAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc3c(c(Cl)c2)OCO3)cc1F ZINC000058356527 222050937 /nfs/dbraw/zinc/05/09/37/222050937.db2.gz OUFFJMMIZGNUOV-UHFFFAOYSA-N 1 1 387.798 3.632 50 0 GHAAMO CCCn1cc(-c2cc(C(=O)N3CCC[N@@H+](C)C[C@@H]3C)c3ccccc3n2)cn1 ZINC000063844479 222067617 /nfs/dbraw/zinc/06/76/17/222067617.db2.gz UELASMAQBYHGTQ-KRWDZBQOSA-N 1 1 391.519 3.675 50 0 GHAAMO Cc1cc(C)c(NC(=O)c2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)c1 ZINC000065420300 222128095 /nfs/dbraw/zinc/12/80/95/222128095.db2.gz WECCUFPGUHJWSP-FQEVSTJZSA-N 1 1 379.504 3.561 50 0 GHAAMO CCc1ccc(-c2c(-c3ccccc3)ncn2CC[N@H+]2CCC[C@@H](CO)C2)nc1 ZINC000065527938 222133408 /nfs/dbraw/zinc/13/34/08/222133408.db2.gz PPFDPRDXZMTMJV-HXUWFJFHSA-N 1 1 390.531 3.879 50 0 GHAAMO Cc1cnc(C)c(-c2cc(O)c3c(c2)C[N@@H+](C2Cc4ccccc4C2)CCO3)n1 ZINC000067490733 222147841 /nfs/dbraw/zinc/14/78/41/222147841.db2.gz OFMSSZCMKGUULZ-UHFFFAOYSA-N 1 1 387.483 3.828 50 0 GHAAMO CCc1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4ccc(F)cc4)C3)C2)nc1 ZINC000067642088 222151197 /nfs/dbraw/zinc/15/11/97/222151197.db2.gz OCIVXAUOYINCTE-QHCPKHFHSA-N 1 1 381.495 3.911 50 0 GHAAMO Cc1cc(C)n([C@H]2CC[N@@H+](Cc3cccc(C(=O)Nc4ccncc4)c3)C2)n1 ZINC000067678916 222154048 /nfs/dbraw/zinc/15/40/48/222154048.db2.gz LMXGJHRUUCZQEW-NRFANRHFSA-N 1 1 375.476 3.594 50 0 GHAAMO Cc1cc(C(=O)N2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)cc2sc(N)nc21 ZINC000071419393 222183799 /nfs/dbraw/zinc/18/37/99/222183799.db2.gz MAERVEPLBOKIAU-KRWDZBQOSA-N 1 1 386.565 3.769 50 0 GHAAMO CCCc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)[nH]n1 ZINC000071735770 222187892 /nfs/dbraw/zinc/18/78/92/222187892.db2.gz GBOSLJVHLDDTLZ-NRFANRHFSA-N 1 1 386.515 3.874 50 0 GHAAMO CCCc1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)n[nH]1 ZINC000071735770 222187894 /nfs/dbraw/zinc/18/78/94/222187894.db2.gz GBOSLJVHLDDTLZ-NRFANRHFSA-N 1 1 386.515 3.874 50 0 GHAAMO CCCc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)n[nH]1 ZINC000071735770 222187897 /nfs/dbraw/zinc/18/78/97/222187897.db2.gz GBOSLJVHLDDTLZ-NRFANRHFSA-N 1 1 386.515 3.874 50 0 GHAAMO c1cc([C@H]2CCCCO2)oc1C[NH+]1CCN(c2ncnc3ccccc32)CC1 ZINC000072133774 222211336 /nfs/dbraw/zinc/21/13/36/222211336.db2.gz JLABSMAEIWXMRN-HXUWFJFHSA-N 1 1 378.476 3.787 50 0 GHAAMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(c4ncccc4C(N)=O)C3)C2)cc1 ZINC000072169190 222214987 /nfs/dbraw/zinc/21/49/87/222214987.db2.gz FBWKCWZXLPQMKA-DEOSSOPVSA-N 1 1 392.547 3.796 50 0 GHAAMO Cc1cccc(-c2nc3cc4c(cc3cc2C[N@H+]2CC[C@H](O)[C@@H](O)C2)CCC4)c1 ZINC000072410733 222254920 /nfs/dbraw/zinc/25/49/20/222254920.db2.gz FHTJNFQHSIRARW-ZEQRLZLVSA-N 1 1 388.511 3.626 50 0 GHAAMO CC(=O)c1cc(C[NH+]2CCC3(CC(=O)N(Cc4ccccc4)C3)CC2)cs1 ZINC000072408486 222256170 /nfs/dbraw/zinc/25/61/70/222256170.db2.gz JOIBHIXVHFMWQQ-UHFFFAOYSA-N 1 1 382.529 3.965 50 0 GHAAMO Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccn2)C1 ZINC000072418240 222256753 /nfs/dbraw/zinc/25/67/53/222256753.db2.gz VSLVBHBGALXXBS-SIKLNZKXSA-N 1 1 381.495 3.585 50 0 GHAAMO CC(C)[N@@H+](CCO)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000072423135 222258103 /nfs/dbraw/zinc/25/81/03/222258103.db2.gz RAVLCBXZXFCJBF-UHFFFAOYSA-N 1 1 393.487 3.530 50 0 GHAAMO COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[N@@H+](C)CC2)c(F)c1 ZINC000072456914 222263089 /nfs/dbraw/zinc/26/30/89/222263089.db2.gz ZTOPONKKHMOCQC-UHFFFAOYSA-N 1 1 394.494 3.825 50 0 GHAAMO C[N@@H+](CC[S@](=O)c1ccccc1)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000089346419 222327078 /nfs/dbraw/zinc/32/70/78/222327078.db2.gz NWHZCAHXAPWAHK-MUUNZHRXSA-N 1 1 399.560 3.670 50 0 GHAAMO Cc1nc(CN(C)C[C@@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)no1 ZINC000095506363 222337829 /nfs/dbraw/zinc/33/78/29/222337829.db2.gz DQTRMVACQGXVDE-KRWDZBQOSA-N 1 1 396.457 3.783 50 0 GHAAMO CCCc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CCCc2ccccc2)C3)no1 ZINC000095505087 222338608 /nfs/dbraw/zinc/33/86/08/222338608.db2.gz AJSYVIAQKKWJBE-VQTJNVASSA-N 1 1 381.520 3.796 50 0 GHAAMO CN(Cc1c[nH]cn1)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000095520966 222347034 /nfs/dbraw/zinc/34/70/34/222347034.db2.gz JKZYXVLGTDZLBP-UHFFFAOYSA-N 1 1 380.458 3.815 50 0 GHAAMO CCCCc1nc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C)C3)c[nH]1 ZINC000096165429 222395082 /nfs/dbraw/zinc/39/50/82/222395082.db2.gz IIVAVEKIVZACPX-OAQYLSRUSA-N 1 1 394.563 3.980 50 0 GHAAMO CCOC(=O)/C=C/c1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000048064923 570217712 /nfs/dbraw/zinc/21/77/12/570217712.db2.gz UKYIRRGCFJRLQU-QYFOZDBKSA-N 1 1 393.487 3.659 50 0 GHAAMO CCOc1cccc(-c2cc(C(=O)N3CC[NH+](C)CC3)c3ccccc3n2)c1 ZINC000019792350 570219578 /nfs/dbraw/zinc/21/95/78/570219578.db2.gz JMYDLLQGPBLLRB-UHFFFAOYSA-N 1 1 375.472 3.688 50 0 GHAAMO O=C(c1cnoc1-c1ccccc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000097346939 570242976 /nfs/dbraw/zinc/24/29/76/570242976.db2.gz WODCYAMHXISKGL-UHFFFAOYSA-N 1 1 379.435 3.829 50 0 GHAAMO O=C(c1cnoc1-c1ccccc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000097346939 570242977 /nfs/dbraw/zinc/24/29/77/570242977.db2.gz WODCYAMHXISKGL-UHFFFAOYSA-N 1 1 379.435 3.829 50 0 GHAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)Cc2cnn(C(C)C)c2)C1 ZINC000020208509 570248258 /nfs/dbraw/zinc/24/82/58/570248258.db2.gz FTNNVKKDFFUFEU-HXUWFJFHSA-N 1 1 384.568 3.859 50 0 GHAAMO Cc1c(Cl)ccc2c(C(=O)N3CC[NH+](C)CC3)cc(-c3ccccn3)nc12 ZINC000020295473 570251956 /nfs/dbraw/zinc/25/19/56/570251956.db2.gz GUZFJCNLQGIMRD-UHFFFAOYSA-N 1 1 380.879 3.646 50 0 GHAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000020322272 570252147 /nfs/dbraw/zinc/25/21/47/570252147.db2.gz ALCMGIDWIGHRIN-JOCHJYFZSA-N 1 1 379.548 3.524 50 0 GHAAMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000020599949 570269699 /nfs/dbraw/zinc/26/96/99/570269699.db2.gz YTXJVLGYPPBEAD-QHCPKHFHSA-N 1 1 377.488 3.951 50 0 GHAAMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000020599949 570269702 /nfs/dbraw/zinc/26/97/02/570269702.db2.gz YTXJVLGYPPBEAD-QHCPKHFHSA-N 1 1 377.488 3.951 50 0 GHAAMO Cc1c2cc(F)ccc2n(C)c1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000215092326 570285590 /nfs/dbraw/zinc/28/55/90/570285590.db2.gz LUCYMVJUXYWOIU-MRXNPFEDSA-N 1 1 383.467 3.861 50 0 GHAAMO O=C(/C=C/c1ccccc1)Nc1ccc(N2CC[NH+](Cc3ccoc3)CC2)nc1 ZINC000034681551 570299806 /nfs/dbraw/zinc/29/98/06/570299806.db2.gz KLXSLBWMSJYGBF-RMKNXTFCSA-N 1 1 388.471 3.649 50 0 GHAAMO CC(C)c1ccc(NC(=O)[C@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C(C)C)cc1 ZINC000035347832 570343446 /nfs/dbraw/zinc/34/34/46/570343446.db2.gz MKJNKRVPLAQUIO-FCHUYYIVSA-N 1 1 393.531 3.604 50 0 GHAAMO CCOC(=O)Nc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)c1 ZINC000023243395 570352374 /nfs/dbraw/zinc/35/23/74/570352374.db2.gz ANPIUGQNLJPPFP-UHFFFAOYSA-N 1 1 395.503 3.912 50 0 GHAAMO CCCn1cc(-c2cc(C(=O)N3CCC[N@@H+](C)CC3)c3cccc(C)c3n2)cn1 ZINC000023250445 570352602 /nfs/dbraw/zinc/35/26/02/570352602.db2.gz WIOPCAFRLXCXGF-UHFFFAOYSA-N 1 1 391.519 3.594 50 0 GHAAMO CC(C)(C)NC(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000023367449 570357218 /nfs/dbraw/zinc/35/72/18/570357218.db2.gz ZIBGNFZUUKIRJQ-UHFFFAOYSA-N 1 1 385.596 3.710 50 0 GHAAMO Cc1ccc(C2=NC3(CC[NH+](Cc4ccc(Cl)cc4)CC3)NC2=O)cc1C ZINC000035430871 570357626 /nfs/dbraw/zinc/35/76/26/570357626.db2.gz HMJVQGQRBVUANO-UHFFFAOYSA-N 1 1 381.907 3.868 50 0 biogenic GHAAMO Cc1cn([C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(C)[nH+]1 ZINC000024777366 570393364 /nfs/dbraw/zinc/39/33/64/570393364.db2.gz VKZMYLHJQAZKSV-ZDUSSCGKSA-N 1 1 396.413 3.555 50 0 GHAAMO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCN(c2ccccc2)CC1 ZINC000023386637 570393927 /nfs/dbraw/zinc/39/39/27/570393927.db2.gz KHVFQJXVKZJFIO-MRXNPFEDSA-N 1 1 381.303 3.555 50 0 GHAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1 ZINC000035560079 570396665 /nfs/dbraw/zinc/39/66/65/570396665.db2.gz IRVOJZPOVMDPOA-KRWDZBQOSA-N 1 1 394.494 3.828 50 0 GHAAMO CC(=O)CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000025308554 570410727 /nfs/dbraw/zinc/41/07/27/570410727.db2.gz ORFXYXDFNCJWSI-JTHBVZDNSA-N 1 1 385.479 3.924 50 0 GHAAMO C[C@@H](CC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000248020924 570435917 /nfs/dbraw/zinc/43/59/17/570435917.db2.gz HRWLGHWLDGDWNR-REWPJTCUSA-N 1 1 379.548 3.675 50 0 GHAAMO C[C@@H](CC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000248020924 570435921 /nfs/dbraw/zinc/43/59/21/570435921.db2.gz HRWLGHWLDGDWNR-REWPJTCUSA-N 1 1 379.548 3.675 50 0 GHAAMO CCc1ccc2oc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)cc(=O)c2c1 ZINC000028288449 570454941 /nfs/dbraw/zinc/45/49/41/570454941.db2.gz LBDFHXWIUDJIFB-KRWDZBQOSA-N 1 1 396.512 3.984 50 0 GHAAMO CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000127087842 570456667 /nfs/dbraw/zinc/45/66/67/570456667.db2.gz WFZIUPUQZPMULG-OAHLLOKOSA-N 1 1 395.532 3.658 50 0 GHAAMO CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)cc1 ZINC000029249732 570470883 /nfs/dbraw/zinc/47/08/83/570470883.db2.gz VDBMNNLNZNUCJQ-QGZVFWFLSA-N 1 1 383.492 3.871 50 0 GHAAMO O=C(NC1CCCCCC1)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955290 570502404 /nfs/dbraw/zinc/50/24/04/570502404.db2.gz KJEUXYPXEBONMP-UHFFFAOYSA-N 1 1 382.508 3.788 50 0 GHAAMO O=C(NC[C@H]1COc2ccccc2C1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000072310105 570539380 /nfs/dbraw/zinc/53/93/80/570539380.db2.gz LYJFSOHTXIRWNJ-GHTZIAJQSA-N 1 1 382.479 3.548 50 0 GHAAMO O=C(NC[C@H]1COc2ccccc2C1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072310105 570539383 /nfs/dbraw/zinc/53/93/83/570539383.db2.gz LYJFSOHTXIRWNJ-GHTZIAJQSA-N 1 1 382.479 3.548 50 0 GHAAMO Cc1c2ccccc2[nH]c1CN1CC[N@@H+](CCCc2ccccc2)[C@H](CCO)C1 ZINC000039387739 570590600 /nfs/dbraw/zinc/59/06/00/570590600.db2.gz SZPNZSUBPOHKMU-JOCHJYFZSA-N 1 1 391.559 3.978 50 0 GHAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(=O)OC)C1 ZINC000004086920 570614360 /nfs/dbraw/zinc/61/43/60/570614360.db2.gz BEERAYOGDLWZMI-UHFFFAOYSA-N 1 1 378.881 3.818 50 0 GHAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(=O)OC)C1 ZINC000004086920 570614363 /nfs/dbraw/zinc/61/43/63/570614363.db2.gz BEERAYOGDLWZMI-UHFFFAOYSA-N 1 1 378.881 3.818 50 0 GHAAMO CC[C@H](C)[N@@H+](CCNC(=O)c1noc2c1COc1ccccc1-2)Cc1ccco1 ZINC000033028852 570666706 /nfs/dbraw/zinc/66/67/06/570666706.db2.gz VJGYGPXKZDOKJO-HNNXBMFYSA-N 1 1 395.459 3.858 50 0 GHAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2c3ccccc3C[C@@H]2C)cc1OC ZINC000036394262 570677429 /nfs/dbraw/zinc/67/74/29/570677429.db2.gz WUCVHEGVLFYVGJ-QFBILLFUSA-N 1 1 380.488 3.819 50 0 GHAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2c3ccccc3C[C@@H]2C)cc1OC ZINC000036394262 570677433 /nfs/dbraw/zinc/67/74/33/570677433.db2.gz WUCVHEGVLFYVGJ-QFBILLFUSA-N 1 1 380.488 3.819 50 0 GHAAMO C[C@@H](C(=O)NCCCc1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)C1CCCCC1 ZINC000244874303 570697826 /nfs/dbraw/zinc/69/78/26/570697826.db2.gz WYTSTZOSUPDUTO-AWEZNQCLSA-N 1 1 376.932 3.918 50 0 GHAAMO C[C@@H](C(=O)NCCCc1nc2ccc(Cl)cc2[nH]1)[N@H+](C)C1CCCCC1 ZINC000244874303 570697829 /nfs/dbraw/zinc/69/78/29/570697829.db2.gz WYTSTZOSUPDUTO-AWEZNQCLSA-N 1 1 376.932 3.918 50 0 GHAAMO C[C@@H](C(=O)NCCCc1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)C1CCCCC1 ZINC000244874303 570697832 /nfs/dbraw/zinc/69/78/32/570697832.db2.gz WYTSTZOSUPDUTO-AWEZNQCLSA-N 1 1 376.932 3.918 50 0 GHAAMO O=c1cc(C[N@H+]2CCC[C@H]2c2cccs2)nc2ccc(Br)cn12 ZINC000058169907 570714912 /nfs/dbraw/zinc/71/49/12/570714912.db2.gz DPIHSKRDLATMBA-AWEZNQCLSA-N 1 1 390.306 3.856 50 0 GHAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000229999392 570741108 /nfs/dbraw/zinc/74/11/08/570741108.db2.gz LRGXBACMFBZHTC-CJNGLKHVSA-N 1 1 380.414 3.576 50 0 GHAAMO Cc1csc(C2([NH2+]CC(=O)N3CCC[C@H](C(F)(F)F)C3)CCCC2)n1 ZINC000170025164 570789458 /nfs/dbraw/zinc/78/94/58/570789458.db2.gz RPWLXYDSEJPPHX-ZDUSSCGKSA-N 1 1 375.460 3.611 50 0 GHAAMO COc1ccccc1-c1cc(C[NH+]2CCN(c3ccccc3OC)CC2)on1 ZINC000012540812 570841476 /nfs/dbraw/zinc/84/14/76/570841476.db2.gz UZXCQNAIRIVWFC-UHFFFAOYSA-N 1 1 379.460 3.681 50 0 GHAAMO C[NH+](C)[C@@H](CNc1ccccc1S(=O)(=O)C(F)(F)F)c1cccs1 ZINC000032829031 570842265 /nfs/dbraw/zinc/84/22/65/570842265.db2.gz JULKSOYHLDFNKP-LBPRGKRZSA-N 1 1 378.441 3.756 50 0 GHAAMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(Cl)nc3OC3CCC3)sc2C1 ZINC000170595742 570853481 /nfs/dbraw/zinc/85/34/81/570853481.db2.gz SVRCVZXHWRBHJG-UHFFFAOYSA-N 1 1 392.912 3.753 50 0 GHAAMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(Cl)nc3OC3CCC3)sc2C1 ZINC000170595742 570853485 /nfs/dbraw/zinc/85/34/85/570853485.db2.gz SVRCVZXHWRBHJG-UHFFFAOYSA-N 1 1 392.912 3.753 50 0 GHAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(c3cc(C4CC4)ncn3)C2)cc1OC ZINC000072143189 570870398 /nfs/dbraw/zinc/87/03/98/570870398.db2.gz OTLJBFDMLQATTE-IBGZPJMESA-N 1 1 396.535 3.515 50 0 GHAAMO COc1ccc2c(c1)C=C(C[N@H+]1CCC[C@@](CO)(Cc3ccccc3)C1)CO2 ZINC000015061558 570874155 /nfs/dbraw/zinc/87/41/55/570874155.db2.gz LAIMDQKJPAGJSG-XMMPIXPASA-N 1 1 379.500 3.788 50 0 GHAAMO Cc1c2[nH]cnc2cc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000299780635 570894954 /nfs/dbraw/zinc/89/49/54/570894954.db2.gz AUWUAGRXXFFJFL-SFHVURJKSA-N 1 1 377.492 3.823 50 0 GHAAMO Cc1c2nc[nH]c2cc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000299780635 570894957 /nfs/dbraw/zinc/89/49/57/570894957.db2.gz AUWUAGRXXFFJFL-SFHVURJKSA-N 1 1 377.492 3.823 50 0 GHAAMO Cc1c2nc[nH]c2cc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000299780635 570894958 /nfs/dbraw/zinc/89/49/58/570894958.db2.gz AUWUAGRXXFFJFL-SFHVURJKSA-N 1 1 377.492 3.823 50 0 GHAAMO COc1cccc(-c2cccc(C(=O)NC[C@@H]3CC[N@H+](C4CCCC4)C3)c2)n1 ZINC000299779026 570895010 /nfs/dbraw/zinc/89/50/10/570895010.db2.gz RMVZNQXMCCEKSA-KRWDZBQOSA-N 1 1 379.504 3.752 50 0 GHAAMO CSCC[NH+]1CCN(C(=O)c2cccc(-c3cc(C)c(C)c(C)n3)c2)CC1 ZINC000299800614 570898118 /nfs/dbraw/zinc/89/81/18/570898118.db2.gz XAZIKFBZSILCQU-UHFFFAOYSA-N 1 1 383.561 3.795 50 0 GHAAMO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc(-c2cccc3c(N)ccnc32)cc1 ZINC000534578262 570902159 /nfs/dbraw/zinc/90/21/59/570902159.db2.gz PXHPAJBIANMGEJ-UHFFFAOYSA-N 1 1 388.515 3.919 50 0 GHAAMO COc1ccc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1Br ZINC000046991416 570938300 /nfs/dbraw/zinc/93/83/00/570938300.db2.gz NMTSULUIFCFJEF-AWEZNQCLSA-N 1 1 383.330 3.700 50 0 GHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000033278904 570953308 /nfs/dbraw/zinc/95/33/08/570953308.db2.gz ZCYFTZCVAJKXKU-LJQANCHMSA-N 1 1 376.460 3.618 50 0 GHAAMO COCc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000107543740 570974411 /nfs/dbraw/zinc/97/44/11/570974411.db2.gz NVQGKKMMXKJDQH-FZKQIMNGSA-N 1 1 380.847 3.641 50 0 GHAAMO COCc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000107543740 570974414 /nfs/dbraw/zinc/97/44/14/570974414.db2.gz NVQGKKMMXKJDQH-FZKQIMNGSA-N 1 1 380.847 3.641 50 0 GHAAMO C[C@H](CNC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)[N@H+]1CCc2ccccc2C1 ZINC000045866570 570998531 /nfs/dbraw/zinc/99/85/31/570998531.db2.gz GCPICPLBEMZIJD-JLSDUUJJSA-N 1 1 383.458 3.854 50 0 GHAAMO COc1ccc(-n2c(=O)c3c([nH]c2=S)sc2c3CC[N@@H+](C(C)C)C2)cc1 ZINC000019596622 571020864 /nfs/dbraw/zinc/02/08/64/571020864.db2.gz UPMSRTAMWBPUGH-UHFFFAOYSA-N 1 1 387.530 3.885 50 0 GHAAMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2cnc(N(C)C)s2)C1 ZINC000019595470 571021217 /nfs/dbraw/zinc/02/12/17/571021217.db2.gz LAZCUXXJJHODLJ-OAQYLSRUSA-N 1 1 387.549 3.597 50 0 GHAAMO O=C(c1ncc(F)cc1F)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000091707737 571026915 /nfs/dbraw/zinc/02/69/15/571026915.db2.gz HFRXTDPUXDPYAW-PKOBYXMFSA-N 1 1 385.458 3.529 50 0 GHAAMO CCN1CC[C@@]2(C[N@@H+](Cc3ccc(C)c4ccccc34)CCN2C)CCC1=O ZINC000091943956 571036992 /nfs/dbraw/zinc/03/69/92/571036992.db2.gz QWRQQZFFJGTBBX-XMMPIXPASA-N 1 1 379.548 3.667 50 0 GHAAMO CCN1CC[C@@]2(CN(Cc3ccc(C)c4ccccc34)CC[N@@H+]2C)CCC1=O ZINC000091943956 571036994 /nfs/dbraw/zinc/03/69/94/571036994.db2.gz QWRQQZFFJGTBBX-XMMPIXPASA-N 1 1 379.548 3.667 50 0 GHAAMO CCN1CC[C@@]2(CN(Cc3ccc(C)c4ccccc34)CC[N@H+]2C)CCC1=O ZINC000091943956 571036997 /nfs/dbraw/zinc/03/69/97/571036997.db2.gz QWRQQZFFJGTBBX-XMMPIXPASA-N 1 1 379.548 3.667 50 0 GHAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CCCCCCC1 ZINC000091965925 571038000 /nfs/dbraw/zinc/03/80/00/571038000.db2.gz FMASRTJJGZVDFW-QFIPXVFZSA-N 1 1 398.595 3.551 50 0 GHAAMO C[C@@]1(Cc2ccc3c(c2)OCO3)CCC[N@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC000092022689 571041717 /nfs/dbraw/zinc/04/17/17/571041717.db2.gz QFENJULCDIYULL-NRFANRHFSA-N 1 1 381.432 3.903 50 0 GHAAMO C[C@@]1(Cc2ccc3c(c2)OCO3)CCC[N@@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC000092022689 571041719 /nfs/dbraw/zinc/04/17/19/571041719.db2.gz QFENJULCDIYULL-NRFANRHFSA-N 1 1 381.432 3.903 50 0 GHAAMO Cc1cc2cc(C(=O)N3C[C@H]4CC[C@H](C[N@@H+]4Cc4ccccn4)C3)ccc2o1 ZINC000092038723 571042347 /nfs/dbraw/zinc/04/23/47/571042347.db2.gz AWXOMSKQHPSVNH-DYESRHJHSA-N 1 1 375.472 3.873 50 0 GHAAMO O=C(NC[C@H]1CCN(c2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000247517585 571046527 /nfs/dbraw/zinc/04/65/27/571046527.db2.gz WFYFYDXMVAXAPU-YADHBBJMSA-N 1 1 377.532 3.541 50 0 GHAAMO Clc1cc2c(cc1CN1C[C@H]3CC[C@@H]1C[N@@H+](Cc1cccnc1)C3)OCO2 ZINC000095362456 571056137 /nfs/dbraw/zinc/05/61/37/571056137.db2.gz RFUPZXIASBIMFF-FUHWJXTLSA-N 1 1 385.895 3.560 50 0 GHAAMO Cc1cccc(-n2cc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(Cc3cscn3)C4)cn2)c1 ZINC000095391379 571073087 /nfs/dbraw/zinc/07/30/87/571073087.db2.gz MTBUHCVWGYXVNN-PGRDOPGGSA-N 1 1 393.560 3.734 50 0 GHAAMO Cc1cccc(-n2cc(C[N@H+]3C[C@H]4CC[C@@H]3CN(Cc3cscn3)C4)cn2)c1 ZINC000095391379 571073089 /nfs/dbraw/zinc/07/30/89/571073089.db2.gz MTBUHCVWGYXVNN-PGRDOPGGSA-N 1 1 393.560 3.734 50 0 GHAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc4nccnc34)C2)cc1OC ZINC000019885175 839871969 /nfs/dbraw/zinc/87/19/69/839871969.db2.gz ISSWGQQLPJSTMK-GOSISDBHSA-N 1 1 391.471 3.742 50 0 GHAAMO Fc1ccc(C[N@@H+]2CC[C@@H](n3cc(COCc4ccccc4)nn3)C2)c(F)c1 ZINC000675011459 840875264 /nfs/dbraw/zinc/87/52/64/840875264.db2.gz QESKPLWQZWGURL-HXUWFJFHSA-N 1 1 384.430 3.720 50 0 GHAAMO Fc1ccc(C[N@H+]2CC[C@@H](n3cc(COCc4ccccc4)nn3)C2)c(F)c1 ZINC000675011459 840875268 /nfs/dbraw/zinc/87/52/68/840875268.db2.gz QESKPLWQZWGURL-HXUWFJFHSA-N 1 1 384.430 3.720 50 0 GHAAMO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2F)C1)N(Cc1cccc(O)c1)C1CC1 ZINC000584886200 841168535 /nfs/dbraw/zinc/16/85/35/841168535.db2.gz VWWOJLCVWGXRAM-IBGZPJMESA-N 1 1 397.494 3.870 50 0 GHAAMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)N(Cc1cccc(O)c1)C1CC1 ZINC000584886200 841168543 /nfs/dbraw/zinc/16/85/43/841168543.db2.gz VWWOJLCVWGXRAM-IBGZPJMESA-N 1 1 397.494 3.870 50 0 GHAAMO CCOC(=O)/C=C\c1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000229437875 861483699 /nfs/dbraw/zinc/48/36/99/861483699.db2.gz PWGJBUWGFREVIM-ADYSOMBNSA-N 1 1 387.524 3.897 50 0 GHAAMO CCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([N@@H+](C)CCc1ccccn1)C3 ZINC000023232216 849212694 /nfs/dbraw/zinc/21/26/94/849212694.db2.gz DEURDHZKZAVEJE-QGZVFWFLSA-N 1 1 396.560 3.685 50 0 GHAAMO C[C@H](C1CC1)[N@@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1ccccc1 ZINC000003362507 862365965 /nfs/dbraw/zinc/36/59/65/862365965.db2.gz PVKHDPAWZXCHNA-CQSZACIVSA-N 1 1 397.544 3.575 50 0 GHAAMO COc1ccc(C2(C[N@@H+](C)C[C@@H](O)COc3ccccc3)CCCC2)cc1OC ZINC000004064281 862747983 /nfs/dbraw/zinc/74/79/83/862747983.db2.gz SQYOCJDTNKQMSJ-HXUWFJFHSA-N 1 1 399.531 3.887 50 0 biogenic GHAAMO C[N@H+](CC(=O)N1CCc2sccc2C1)Cc1ccc(OC(F)(F)F)cc1 ZINC000040063159 856646198 /nfs/dbraw/zinc/64/61/98/856646198.db2.gz HKVAILSTWRWECU-UHFFFAOYSA-N 1 1 384.423 3.663 50 0 GHAAMO C[N@@H+](CC(=O)N1CCc2sccc2C1)Cc1ccc(OC(F)(F)F)cc1 ZINC000040063159 856646204 /nfs/dbraw/zinc/64/62/04/856646204.db2.gz HKVAILSTWRWECU-UHFFFAOYSA-N 1 1 384.423 3.663 50 0 GHAAMO CCOc1ccc(OCC)c(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000040103922 856661957 /nfs/dbraw/zinc/66/19/57/856661957.db2.gz JVSGELXPEXQSJD-UHFFFAOYSA-N 1 1 383.492 3.834 50 0 GHAAMO CC(=O)Nc1ccc(C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)cc1 ZINC000040142738 856679255 /nfs/dbraw/zinc/67/92/55/856679255.db2.gz FIHBAXLENIWPPU-JOCHJYFZSA-N 1 1 393.531 3.848 50 0 GHAAMO CN(CC[N@@H+](C)C1CCCCC1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000040151494 856684237 /nfs/dbraw/zinc/68/42/37/856684237.db2.gz FXAXCTHRNZLYST-UHFFFAOYSA-N 1 1 378.460 3.590 50 0 GHAAMO O[C@H](COc1ccc(Cl)cc1)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000040313990 856735749 /nfs/dbraw/zinc/73/57/49/856735749.db2.gz XWRAUANBCBJPHU-FPOVZHCZSA-N 1 1 393.886 3.900 50 0 GHAAMO CCOc1ccc(NC(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000004315091 862956167 /nfs/dbraw/zinc/95/61/67/862956167.db2.gz GWTQPIAKKUBPJT-UHFFFAOYSA-N 1 1 378.476 3.780 50 0 GHAAMO O=C(c1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](Cc2cccn2-c2ccccn2)C1 ZINC000011938398 858197580 /nfs/dbraw/zinc/19/75/80/858197580.db2.gz PPHXAFKGNOALRF-GOSISDBHSA-N 1 1 389.455 3.696 50 0 GHAAMO Cc1nc(CC(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccccc3C)C2)cs1 ZINC000012076056 858798450 /nfs/dbraw/zinc/79/84/50/858798450.db2.gz DLLMEGHYDZYNJU-LJQANCHMSA-N 1 1 385.577 3.716 50 0 GHAAMO Cc1cc(C)c(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)c(=O)[nH]1 ZINC000012595644 859016821 /nfs/dbraw/zinc/01/68/21/859016821.db2.gz CDPXZXKZTSLXFL-HSZRJFAPSA-N 1 1 385.552 3.500 50 0 GHAAMO CC(=O)N1CCC([C@@H]2CC[N@@H+](Cc3ccc(F)c(Br)c3)C2)CC1 ZINC000169781481 859777809 /nfs/dbraw/zinc/77/78/09/859777809.db2.gz XVBXSAYLCMNFKI-MRXNPFEDSA-N 1 1 383.305 3.669 50 0 GHAAMO CC(=O)N1CCC([C@H]2CC[N@@H+](Cc3ccc(F)c(Br)c3)C2)CC1 ZINC000169781482 859777956 /nfs/dbraw/zinc/77/79/56/859777956.db2.gz XVBXSAYLCMNFKI-INIZCTEOSA-N 1 1 383.305 3.669 50 0 GHAAMO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)cc1C ZINC000012301654 859825090 /nfs/dbraw/zinc/82/50/90/859825090.db2.gz XQUJSWJBPFMRCG-UHFFFAOYSA-N 1 1 378.476 3.635 50 0 GHAAMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCCN(C(=O)c3ccco3)CC2)cc1C ZINC000012301654 859825097 /nfs/dbraw/zinc/82/50/97/859825097.db2.gz XQUJSWJBPFMRCG-UHFFFAOYSA-N 1 1 378.476 3.635 50 0 GHAAMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CC(=O)N(C)C3CCC(C)CC3)C2)s1 ZINC000328593481 860177958 /nfs/dbraw/zinc/17/79/58/860177958.db2.gz AQPZMIODWPATOG-SYYJFZTOSA-N 1 1 391.625 3.847 50 0 GHAAMO Cc1cccc(CC(=O)NC[C@@H](c2cccn2C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000021151751 860728084 /nfs/dbraw/zinc/72/80/84/860728084.db2.gz GHZCKBXSOCAMMW-DEOSSOPVSA-N 1 1 387.527 3.792 50 0 GHAAMO Cc1cccc(CC(=O)NC[C@@H](c2cccn2C)[N@H+]2CCc3ccccc3C2)c1 ZINC000021151751 860728087 /nfs/dbraw/zinc/72/80/87/860728087.db2.gz GHZCKBXSOCAMMW-DEOSSOPVSA-N 1 1 387.527 3.792 50 0 GHAAMO O=C(Nc1ccc2oc(=O)[nH]c2c1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000095993074 860736937 /nfs/dbraw/zinc/73/69/37/860736937.db2.gz PVCKKVTWBJXFHQ-AWEZNQCLSA-N 1 1 380.448 3.566 50 0 GHAAMO C[N@@H+](CCCNC(=O)COCc1cc(-c2cccs2)on1)C1CCCCC1 ZINC000021528167 860821667 /nfs/dbraw/zinc/82/16/67/860821667.db2.gz XUQBHRBJFCWGFP-UHFFFAOYSA-N 1 1 391.537 3.691 50 0 GHAAMO Fc1ccc(N2CC[NH+](Cc3ccccc3OCCCn3ccnc3)CC2)cc1 ZINC000826588667 864711303 /nfs/dbraw/zinc/71/13/03/864711303.db2.gz OBIPYMLRQULOME-UHFFFAOYSA-N 1 1 394.494 3.814 50 0 GHAAMO O=C(C[NH+]1CCCCC1)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000828111325 865189631 /nfs/dbraw/zinc/18/96/31/865189631.db2.gz AVRXVEJWEBBGGH-LEWJYISDSA-N 1 1 377.488 3.853 50 0 GHAAMO O=C(Nc1cc2c(cc1F)NC(=O)CC2)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000155133143 881175081 /nfs/dbraw/zinc/17/50/81/881175081.db2.gz UFOYYRYHGZQLSZ-MRXNPFEDSA-N 1 1 399.441 3.700 50 0 GHAAMO Cc1ccc([C@@H](C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)[NH+](C)C)cc1 ZINC000952862106 904632746 /nfs/dbraw/zinc/63/27/46/904632746.db2.gz MDJJYRRGHPIKBN-NRFANRHFSA-N 1 1 379.504 3.781 50 0 GHAAMO CSc1ccc2cc(C[N@@H+](C)C[C@H]3CC(=O)N(C(C)(C)C)C3)c(=O)[nH]c2c1 ZINC000952992168 904665803 /nfs/dbraw/zinc/66/58/03/904665803.db2.gz ZSIJUFXOECWSBD-CQSZACIVSA-N 1 1 387.549 3.741 50 0 GHAAMO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000105261254 904911801 /nfs/dbraw/zinc/91/18/01/904911801.db2.gz CWXODGUJFIUMJH-CQSZACIVSA-N 1 1 388.512 3.808 50 0 GHAAMO COCC[N@@H+](CCc1cc(Cl)c2c(c1)OCCCO2)Cc1cccnc1 ZINC000191113925 906640355 /nfs/dbraw/zinc/64/03/55/906640355.db2.gz JSHFFCKFOQZKAO-UHFFFAOYSA-N 1 1 376.884 3.587 50 0 GHAAMO C[NH+](C)[C@@H](CNC(=O)/C=C\c1cnc2ccccc2n1)c1ccccc1Cl ZINC000096647386 914880651 /nfs/dbraw/zinc/88/06/51/914880651.db2.gz BTUACYKXCSSONW-DUQGCJEPSA-N 1 1 380.879 3.716 50 0 GHAAMO C[N@@H+]1CCN(C(=O)/C=C\c2cc(Cl)c3c(c2)OCCO3)[C@H](c2ccccc2)C1 ZINC000096925973 915200139 /nfs/dbraw/zinc/20/01/39/915200139.db2.gz PKWSKHGVOJSRHB-FQQSSWHASA-N 1 1 398.890 3.640 50 0 GHAAMO C[N@H+]1CCN(C(=O)/C=C\c2cc(Cl)c3c(c2)OCCO3)[C@H](c2ccccc2)C1 ZINC000096925973 915200144 /nfs/dbraw/zinc/20/01/44/915200144.db2.gz PKWSKHGVOJSRHB-FQQSSWHASA-N 1 1 398.890 3.640 50 0 GHAAMO O=C1NCCN1C1CC[NH+](Cc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC000127580907 917762317 /nfs/dbraw/zinc/76/23/17/917762317.db2.gz XDXLFHRYBGYCGU-UHFFFAOYSA-N 1 1 377.916 3.651 50 0 GHAAMO CN1CCC([N@@H+]2CCC[C@H](NC(=O)c3cccc(-c4cccc(F)c4)c3)C2)CC1 ZINC000019224015 919575144 /nfs/dbraw/zinc/57/51/44/919575144.db2.gz NIJIZIPWFDVJMN-QFIPXVFZSA-N 1 1 395.522 3.781 50 0 GHAAMO CN1CCC([N@H+]2CCC[C@H](NC(=O)c3cccc(-c4cccc(F)c4)c3)C2)CC1 ZINC000019224015 919575155 /nfs/dbraw/zinc/57/51/55/919575155.db2.gz NIJIZIPWFDVJMN-QFIPXVFZSA-N 1 1 395.522 3.781 50 0 GHAAMO Cc1oc(-c2ccc(F)cc2F)nc1C[N@H+]1CCC[C@@H](CN2CCCC2=O)C1 ZINC000020294628 919628836 /nfs/dbraw/zinc/62/88/36/919628836.db2.gz GTAATHNWHQBIGQ-OAHLLOKOSA-N 1 1 389.446 3.763 50 0 GHAAMO O=C(Cc1ccccc1F)Nc1ccc2c(c1)C[N@@H+](Cc1cccnc1)CC2 ZINC000020914039 919669857 /nfs/dbraw/zinc/66/98/57/919669857.db2.gz XZKVALJFGMYYTA-UHFFFAOYSA-N 1 1 375.447 3.960 50 0 GHAAMO O=C(Cc1ccccc1F)Nc1ccc2c(c1)C[N@H+](Cc1cccnc1)CC2 ZINC000020914039 919669879 /nfs/dbraw/zinc/66/98/79/919669879.db2.gz XZKVALJFGMYYTA-UHFFFAOYSA-N 1 1 375.447 3.960 50 0 GHAAMO Cc1cc(N2CCC([N@H+](C)Cc3ncc([C@H](C)O)s3)CC2)nc(C(C)C)n1 ZINC000366022419 919736938 /nfs/dbraw/zinc/73/69/38/919736938.db2.gz JVJPRGBFGZCNTK-HNNXBMFYSA-N 1 1 389.569 3.519 50 0 GHAAMO Cc1cc(N2CCC([N@@H+](C)Cc3ncc([C@H](C)O)s3)CC2)nc(C(C)C)n1 ZINC000366022419 919736943 /nfs/dbraw/zinc/73/69/43/919736943.db2.gz JVJPRGBFGZCNTK-HNNXBMFYSA-N 1 1 389.569 3.519 50 0 GHAAMO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1c1cccn1C)c1ccc(Br)cc1 ZINC000241694014 231039217 /nfs/dbraw/zinc/03/92/17/231039217.db2.gz QJRPFHQCEHYAEL-KSSFIOAISA-N 1 1 390.325 3.802 50 0 GHAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@H]1c1cccn1C)c1ccc(Br)cc1 ZINC000241694014 231039219 /nfs/dbraw/zinc/03/92/19/231039219.db2.gz QJRPFHQCEHYAEL-KSSFIOAISA-N 1 1 390.325 3.802 50 0 GHAAMO Cc1cc(C)c(-c2ccc(C(=O)NCC[N@H+]3CCC[C@@H](CO)C3)cc2)cc1C ZINC000426409433 231216683 /nfs/dbraw/zinc/21/66/83/231216683.db2.gz PHEXSRVYKHRENY-HXUWFJFHSA-N 1 1 380.532 3.713 50 0 GHAAMO CN1C[C@@H]2C[N@H+](CCC(=O)NCc3ccccc3Cl)C[C@H]2[C@@H]1c1ccccc1 ZINC000241738527 529823630 /nfs/dbraw/zinc/82/36/30/529823630.db2.gz QYGUSLVJRGZLOY-VIZSFHNOSA-N 1 1 397.950 3.581 50 0 GHAAMO CN1C[C@@H]2C[N@@H+](CCC(=O)NCc3ccccc3Cl)C[C@H]2[C@@H]1c1ccccc1 ZINC000241738527 529823633 /nfs/dbraw/zinc/82/36/33/529823633.db2.gz QYGUSLVJRGZLOY-VIZSFHNOSA-N 1 1 397.950 3.581 50 0 GHAAMO CN(CC[N@@H+](C)C1CCCC1)C(=O)c1cccc(-c2ccc(CCO)cc2)c1 ZINC000426615652 529903471 /nfs/dbraw/zinc/90/34/71/529903471.db2.gz ZWRYNFRCJFSWPJ-UHFFFAOYSA-N 1 1 380.532 3.835 50 0 GHAAMO O=C1C[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000001213550 212229760 /nfs/dbraw/zinc/22/97/60/212229760.db2.gz MFLGPEHUHUIOBB-HXUWFJFHSA-N 1 1 382.891 3.927 50 0 GHAAMO Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000007684530 221005834 /nfs/dbraw/zinc/00/58/34/221005834.db2.gz FGYXRRHZXMFZSE-FQEVSTJZSA-N 1 1 380.488 3.610 50 0 GHAAMO Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000007684530 221005837 /nfs/dbraw/zinc/00/58/37/221005837.db2.gz FGYXRRHZXMFZSE-FQEVSTJZSA-N 1 1 380.488 3.610 50 0 GHAAMO C[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)[C@H]1CCCc2ccccc21 ZINC000008126239 221027444 /nfs/dbraw/zinc/02/74/44/221027444.db2.gz ZPLZHTOGAFNTTN-SFHVURJKSA-N 1 1 398.304 3.966 50 0 GHAAMO C[N@@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)[C@@H]1CCCc2ccccc21 ZINC000008126979 221027466 /nfs/dbraw/zinc/02/74/66/221027466.db2.gz CKSWHMSJEFMBNE-QGZVFWFLSA-N 1 1 397.544 3.674 50 0 GHAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(Nc3ccc4[nH]c(=O)[nH]c4c3)c2c1C ZINC000008161691 221029152 /nfs/dbraw/zinc/02/91/52/221029152.db2.gz YTGFFHCWUOJRCR-UHFFFAOYSA-N 1 1 394.504 3.817 50 0 GHAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc2c(c1)OCO2 ZINC000008261841 221032846 /nfs/dbraw/zinc/03/28/46/221032846.db2.gz BWICMPRZFAVBRN-CQSZACIVSA-N 1 1 395.484 3.843 50 0 GHAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc2c(c1)OCO2 ZINC000008261841 221032847 /nfs/dbraw/zinc/03/28/47/221032847.db2.gz BWICMPRZFAVBRN-CQSZACIVSA-N 1 1 395.484 3.843 50 0 GHAAMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc2c(c1)OCO2 ZINC000008261843 221033351 /nfs/dbraw/zinc/03/33/51/221033351.db2.gz BWICMPRZFAVBRN-AWEZNQCLSA-N 1 1 395.484 3.843 50 0 GHAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc2c(c1)OCO2 ZINC000008261843 221033353 /nfs/dbraw/zinc/03/33/53/221033353.db2.gz BWICMPRZFAVBRN-AWEZNQCLSA-N 1 1 395.484 3.843 50 0 GHAAMO Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)[N@@H+](C)Cc2ccc(C)cc2C)cc1 ZINC000007920933 221016593 /nfs/dbraw/zinc/01/65/93/221016593.db2.gz KBIFJBLLHHEXJD-IBGZPJMESA-N 1 1 381.520 3.529 50 0 GHAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCN(C)CC3)cc2)c1 ZINC000011879777 221134995 /nfs/dbraw/zinc/13/49/95/221134995.db2.gz DSLDCBPVPPZQBH-QHCPKHFHSA-N 1 1 393.531 3.859 50 0 GHAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCN(C)CC3)cc2)c1 ZINC000011879777 221134998 /nfs/dbraw/zinc/13/49/98/221134998.db2.gz DSLDCBPVPPZQBH-QHCPKHFHSA-N 1 1 393.531 3.859 50 0 GHAAMO COc1cc(C)c(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3cccnc3)C2)cc1C ZINC000012080285 221148792 /nfs/dbraw/zinc/14/87/92/221148792.db2.gz DQZLOWJENCAPSD-IRLDBZIGSA-N 1 1 393.531 3.720 50 0 GHAAMO CCn1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)cn1 ZINC000012297887 221176512 /nfs/dbraw/zinc/17/65/12/221176512.db2.gz QGEXRVGNIANZQG-GOSISDBHSA-N 1 1 395.532 3.877 50 0 GHAAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)cc1OC ZINC000012301000 221178068 /nfs/dbraw/zinc/17/80/68/221178068.db2.gz VHQGSFQVMWBOLH-MRXNPFEDSA-N 1 1 383.444 3.527 50 0 GHAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc4c3OCO4)C2)cc1OC ZINC000012301000 221178071 /nfs/dbraw/zinc/17/80/71/221178071.db2.gz VHQGSFQVMWBOLH-MRXNPFEDSA-N 1 1 383.444 3.527 50 0 GHAAMO CCc1ccc(CN2CCC[C@H]2C(=O)Nc2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000012306376 221179019 /nfs/dbraw/zinc/17/90/19/221179019.db2.gz SCIJQVKGULRBGN-NRFANRHFSA-N 1 1 378.476 3.939 50 0 GHAAMO COc1cccc(CCC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC000012439753 221195416 /nfs/dbraw/zinc/19/54/16/221195416.db2.gz KGIJQROWRYZILM-FQEVSTJZSA-N 1 1 384.495 3.890 50 0 GHAAMO COc1cccc(CCC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC000012439753 221195417 /nfs/dbraw/zinc/19/54/17/221195417.db2.gz KGIJQROWRYZILM-FQEVSTJZSA-N 1 1 384.495 3.890 50 0 GHAAMO Cc1ccccc1CN1C[C@@H]2C[C@@H](c3cc(CC(C)C)n[nH]3)[N@H+]3CCC[C@@]23C1=O ZINC000012441864 221196095 /nfs/dbraw/zinc/19/60/95/221196095.db2.gz RMVHPJYEBXPSQT-APTRMMRNSA-N 1 1 392.547 3.855 50 0 GHAAMO Cc1ccccc1CN1C[C@@H]2C[C@@H](c3cc(CC(C)C)n[nH]3)[N@@H+]3CCC[C@@]23C1=O ZINC000012441864 221196098 /nfs/dbraw/zinc/19/60/98/221196098.db2.gz RMVHPJYEBXPSQT-APTRMMRNSA-N 1 1 392.547 3.855 50 0 GHAAMO COc1cccc(N2CCC([N@H+]3CCC[C@@H](CCC(=O)N4CCCC4)C3)CC2)c1 ZINC000012448733 221196775 /nfs/dbraw/zinc/19/67/75/221196775.db2.gz OGSFYSZLLSCRFJ-FQEVSTJZSA-N 1 1 399.579 3.779 50 0 GHAAMO O[C@@]1(c2ccccc2)CC[N@@H+](Cc2nc(-c3ccccn3)no2)[C@H]2CCCC[C@@H]21 ZINC000012458354 221198517 /nfs/dbraw/zinc/19/85/17/221198517.db2.gz ARHONXWUWLFCDE-GREBRCKQSA-N 1 1 390.487 3.784 50 0 GHAAMO CCOC(=O)[C@@]1(Cc2ccccc2F)CCC[N@@H+](Cc2ccc(COC)o2)C1 ZINC000012590663 221210900 /nfs/dbraw/zinc/21/09/00/221210900.db2.gz PKBXAHNBMFLVFV-JOCHJYFZSA-N 1 1 389.467 3.953 50 0 GHAAMO CSCc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)o1 ZINC000012386889 221187251 /nfs/dbraw/zinc/18/72/51/221187251.db2.gz XWFJNGDBBLJCNA-SFHVURJKSA-N 1 1 384.545 3.846 50 0 GHAAMO Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)o1 ZINC000012385698 221187566 /nfs/dbraw/zinc/18/75/66/221187566.db2.gz JYGAJIZILRMCHP-SFHVURJKSA-N 1 1 398.503 3.668 50 0 GHAAMO C[N@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)Cc2c(F)cccc2F)C1 ZINC000012595637 221212697 /nfs/dbraw/zinc/21/26/97/221212697.db2.gz RJSVRUBFPZVFJN-LJQANCHMSA-N 1 1 386.486 3.920 50 0 GHAAMO CC(=O)N1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(Cl)c(C)c3)cc2)CC1 ZINC000012684832 221218359 /nfs/dbraw/zinc/21/83/59/221218359.db2.gz YHUVKFZWVZVDPG-UHFFFAOYSA-N 1 1 399.922 3.955 50 0 GHAAMO COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc(-c4ccccc4)on3)C2)c1 ZINC000012718497 221221174 /nfs/dbraw/zinc/22/11/74/221221174.db2.gz UPQNKIRLIOCFPD-LJQANCHMSA-N 1 1 391.471 3.745 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@@H](NC(=O)c3cc(-c4ccccc4)on3)C2)c1 ZINC000012718497 221221176 /nfs/dbraw/zinc/22/11/76/221221176.db2.gz UPQNKIRLIOCFPD-LJQANCHMSA-N 1 1 391.471 3.745 50 0 GHAAMO O=C(CCc1nc(-c2ccccc2)no1)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012713157 221221467 /nfs/dbraw/zinc/22/14/67/221221467.db2.gz NFLQFRQUJBORED-HXUWFJFHSA-N 1 1 396.535 3.830 50 0 GHAAMO C/C(=C\c1ccco1)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000012758012 221226455 /nfs/dbraw/zinc/22/64/55/221226455.db2.gz PXLZMQYBIIBQSS-KGZWWPETSA-N 1 1 382.460 3.554 50 0 GHAAMO CC(C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000012785955 221231590 /nfs/dbraw/zinc/23/15/90/221231590.db2.gz POKBRWPJRQRDNJ-NFBKMPQASA-N 1 1 393.531 3.851 50 0 GHAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cc4cc(C)ccc4[nH]3)CC2)cc1 ZINC000012923921 221247001 /nfs/dbraw/zinc/24/70/01/221247001.db2.gz RPAQAMQTULLZIX-UHFFFAOYSA-N 1 1 377.488 3.833 50 0 GHAAMO Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000012984792 221253385 /nfs/dbraw/zinc/25/33/85/221253385.db2.gz MJLNSZNPUDXEBT-UHFFFAOYSA-N 1 1 379.508 3.573 50 0 GHAAMO O=C(C[NH+]1CCCCCCC1)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000013002785 221255467 /nfs/dbraw/zinc/25/54/67/221255467.db2.gz PMSDTAWBTHRIMS-MRXNPFEDSA-N 1 1 383.414 3.559 50 0 GHAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1Cl ZINC000012916175 221245913 /nfs/dbraw/zinc/24/59/13/221245913.db2.gz JVLGRWFBJWMMDG-UHFFFAOYSA-N 1 1 385.895 3.938 50 0 GHAAMO Cc1nn(-c2ccccc2)nc1C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000013006581 221256833 /nfs/dbraw/zinc/25/68/33/221256833.db2.gz VBMUUKYOWLVDKD-UHFFFAOYSA-N 1 1 396.520 3.661 50 0 GHAAMO NC(=O)CC[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)Cc1ccccc1 ZINC000014023609 221297510 /nfs/dbraw/zinc/29/75/10/221297510.db2.gz ZUGQGRRLJYAECH-UHFFFAOYSA-N 1 1 387.483 3.670 50 0 GHAAMO NC(=O)CC[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)Cc1ccccc1 ZINC000014023609 221297512 /nfs/dbraw/zinc/29/75/12/221297512.db2.gz ZUGQGRRLJYAECH-UHFFFAOYSA-N 1 1 387.483 3.670 50 0 GHAAMO CCN(Cc1cnn(CC)c1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000014962182 221321977 /nfs/dbraw/zinc/32/19/77/221321977.db2.gz GQUNFKVDJKPUNO-OAQYLSRUSA-N 1 1 384.568 3.688 50 0 GHAAMO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2=O)c1 ZINC000014957328 221320317 /nfs/dbraw/zinc/32/03/17/221320317.db2.gz VKQBEHBETXBJPC-NRFANRHFSA-N 1 1 388.508 3.911 50 0 GHAAMO Cc1ccc2c(c1)C[N@@H+](CC(=O)N1CCc3c4ccccc4[nH]c3C1)C[C@@H](C)O2 ZINC000014994368 221325157 /nfs/dbraw/zinc/32/51/57/221325157.db2.gz CQIRBBQDWWLBNX-QGZVFWFLSA-N 1 1 389.499 3.644 50 0 GHAAMO Cc1ccc2c(c1)C[N@H+](CC(=O)N1CCc3c4ccccc4[nH]c3C1)C[C@@H](C)O2 ZINC000014994368 221325158 /nfs/dbraw/zinc/32/51/58/221325158.db2.gz CQIRBBQDWWLBNX-QGZVFWFLSA-N 1 1 389.499 3.644 50 0 GHAAMO CCOC(=O)[C@]1(CCOC)CCC[N@@H+](Cc2cccc(-n3nc(C)cc3C)c2)C1 ZINC000015068900 221329571 /nfs/dbraw/zinc/32/95/71/221329571.db2.gz YNMMSJWPNMSUJH-QHCPKHFHSA-N 1 1 399.535 3.671 50 0 GHAAMO CCN(Cc1ccncc1)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000015066331 221330154 /nfs/dbraw/zinc/33/01/54/221330154.db2.gz QDULYCVMTJFITM-QHCPKHFHSA-N 1 1 397.563 3.719 50 0 GHAAMO Cc1ccc(-n2cc(C[N@@H+](C)C[C@H]3COCCO3)c(-c3ccc(F)cc3)n2)cc1 ZINC000015072605 221331240 /nfs/dbraw/zinc/33/12/40/221331240.db2.gz MDVIDMYHJLRDQN-QFIPXVFZSA-N 1 1 395.478 3.834 50 0 GHAAMO COc1ccc(N[C@@H]2CCC[N@@H+](Cc3cccn3-c3cccnc3)C2)cc1OC ZINC000015075299 221331792 /nfs/dbraw/zinc/33/17/92/221331792.db2.gz SQGSGSAIUCFCIW-LJQANCHMSA-N 1 1 392.503 3.966 50 0 GHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000015681226 221339825 /nfs/dbraw/zinc/33/98/25/221339825.db2.gz HCSJUHWHDRFQPO-IBGZPJMESA-N 1 1 391.519 3.657 50 0 GHAAMO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)ccc3o2)[NH+]2CCCCC2)o1 ZINC000015860422 221348537 /nfs/dbraw/zinc/34/85/37/221348537.db2.gz ALRDSFCMIQMJLJ-SFHVURJKSA-N 1 1 394.471 3.960 50 0 GHAAMO O=C(Cc1ccc(F)cc1)NC[C@@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000015882556 221351175 /nfs/dbraw/zinc/35/11/75/221351175.db2.gz ATHXDGZZUGWANY-QHCPKHFHSA-N 1 1 389.474 3.679 50 0 GHAAMO O=C(Cc1ccc(F)cc1)NC[C@@H](c1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000015882556 221351177 /nfs/dbraw/zinc/35/11/77/221351177.db2.gz ATHXDGZZUGWANY-QHCPKHFHSA-N 1 1 389.474 3.679 50 0 GHAAMO CC[N@H+](Cc1cc(=O)oc2cc3c(cc12)CCC3)C[C@@H]1COc2ccccc2O1 ZINC000016628182 221366168 /nfs/dbraw/zinc/36/61/68/221366168.db2.gz SCQJIKNZDDEJTH-LJQANCHMSA-N 1 1 391.467 3.944 50 0 GHAAMO C[C@H]([NH2+]CC(=O)NCCOc1ccccc1)c1cc(F)c(Cl)cc1Cl ZINC000016695804 221369794 /nfs/dbraw/zinc/36/97/94/221369794.db2.gz JLFCGNPLKACGSH-LBPRGKRZSA-N 1 1 385.266 3.978 50 0 GHAAMO C[C@H]1CCc2c(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)csc2C1 ZINC000018217428 221390580 /nfs/dbraw/zinc/39/05/80/221390580.db2.gz DAKAHFDNJNXGTD-INIZCTEOSA-N 1 1 384.545 3.635 50 0 GHAAMO CC(C)c1cc(=O)[nH]c(-c2cccc(C[N@@H+](C)C[C@@H](O)c3ccccc3)c2)n1 ZINC000019112788 221396964 /nfs/dbraw/zinc/39/69/64/221396964.db2.gz YQSDHMDSTSOUPI-OAQYLSRUSA-N 1 1 377.488 3.726 50 0 GHAAMO CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCCC[NH+]1CCOCC1 ZINC000019792102 221454269 /nfs/dbraw/zinc/45/42/69/221454269.db2.gz BROQZFQMUXFPQM-UHFFFAOYSA-N 1 1 391.899 3.508 50 0 GHAAMO CN(Cc1cccn1-c1nccs1)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000019842131 221459954 /nfs/dbraw/zinc/45/99/54/221459954.db2.gz DDZLZGSJWDJAKA-HXUWFJFHSA-N 1 1 392.572 3.997 50 0 GHAAMO O=C(CN1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)Nc1ccc(F)cc1 ZINC000058176670 136154813 /nfs/dbraw/zinc/15/48/13/136154813.db2.gz NCIJMROIYXFEOF-UHFFFAOYSA-N 1 1 398.869 3.788 50 0 GHAAMO CCc1cc(N2CCC[C@@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)nc(C)n1 ZINC000072165498 136167321 /nfs/dbraw/zinc/16/73/21/136167321.db2.gz TVBMWXXUXHWSBT-HXUWFJFHSA-N 1 1 398.551 3.508 50 0 GHAAMO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(Cc2cccc(N4CCOCC4)c2)C3)cc1 ZINC000095357773 136178033 /nfs/dbraw/zinc/17/80/33/136178033.db2.gz SVTXJGYFETWHIM-UKILVPOCSA-N 1 1 391.559 3.620 50 0 GHAAMO c1ccc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3cccc(N4CCOCC4)c3)C2)cc1 ZINC000095357773 136178034 /nfs/dbraw/zinc/17/80/34/136178034.db2.gz SVTXJGYFETWHIM-UKILVPOCSA-N 1 1 391.559 3.620 50 0 GHAAMO c1ccc(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3cccc(N4CCOCC4)c3)C2)cc1 ZINC000095357773 136178035 /nfs/dbraw/zinc/17/80/35/136178035.db2.gz SVTXJGYFETWHIM-UKILVPOCSA-N 1 1 391.559 3.620 50 0 GHAAMO Cc1nnc(N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)c2ccccc12 ZINC000095522988 136181314 /nfs/dbraw/zinc/18/13/14/136181314.db2.gz AVBZMWJGDNGVFZ-UHFFFAOYSA-N 1 1 384.487 3.962 50 0 GHAAMO Cc1cccc(N2CCN(C(=O)Nc3cccc(N4CCCC4)c3C)CC2)[nH+]1 ZINC000096137670 136184218 /nfs/dbraw/zinc/18/42/18/136184218.db2.gz HZGAJXSQRHOKBG-UHFFFAOYSA-N 1 1 379.508 3.653 50 0 GHAAMO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccccc2N2CCOCC2)c(C)c1 ZINC000012517432 136200329 /nfs/dbraw/zinc/20/03/29/136200329.db2.gz VTXGSCXIJVDNEV-UHFFFAOYSA-N 1 1 381.520 3.519 50 0 GHAAMO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccccc2N2CCOCC2)c(C)c1 ZINC000012517432 136200330 /nfs/dbraw/zinc/20/03/30/136200330.db2.gz VTXGSCXIJVDNEV-UHFFFAOYSA-N 1 1 381.520 3.519 50 0 GHAAMO CC[NH+]1CCN(C(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)CC1 ZINC000057134879 222030032 /nfs/dbraw/zinc/03/00/32/222030032.db2.gz RQSIOOQZNXJXKU-UHFFFAOYSA-N 1 1 375.472 3.688 50 0 GHAAMO CN(C)C(=O)c1ccc(NC(=O)C[NH2+][C@H](c2cccs2)c2ccccc2)cc1 ZINC000057383574 222031752 /nfs/dbraw/zinc/03/17/52/222031752.db2.gz LFMZAFWZEJDMRY-NRFANRHFSA-N 1 1 393.512 3.768 50 0 GHAAMO COc1ccccc1OCC[N@H+](C)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000052451543 222006559 /nfs/dbraw/zinc/00/65/59/222006559.db2.gz SJOKQYKDKRTFLN-OAHLLOKOSA-N 1 1 376.884 3.537 50 0 GHAAMO COc1ccccc1OCC[N@@H+](C)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000052451543 222006562 /nfs/dbraw/zinc/00/65/62/222006562.db2.gz SJOKQYKDKRTFLN-OAHLLOKOSA-N 1 1 376.884 3.537 50 0 GHAAMO CSc1ccc(C[N@@H+](CCO)Cc2cccc(Oc3ncccn3)c2)cc1 ZINC000055153831 222016090 /nfs/dbraw/zinc/01/60/90/222016090.db2.gz KLLDJVCMBGLHBN-UHFFFAOYSA-N 1 1 381.501 3.985 50 0 GHAAMO CCOC(=O)/C=C/c1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000058007626 222037585 /nfs/dbraw/zinc/03/75/85/222037585.db2.gz AQZWGANRHSDMEA-QGFLDLQWSA-N 1 1 393.487 3.784 50 0 GHAAMO CCOC(=O)/C=C/c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000058007626 222037589 /nfs/dbraw/zinc/03/75/89/222037589.db2.gz AQZWGANRHSDMEA-QGFLDLQWSA-N 1 1 393.487 3.784 50 0 GHAAMO CCOC(=O)CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000058062931 222039351 /nfs/dbraw/zinc/03/93/51/222039351.db2.gz SYVFLIRNMBNSPH-FQEVSTJZSA-N 1 1 384.451 3.559 50 0 GHAAMO CCOC(=O)CN(C(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000058062931 222039356 /nfs/dbraw/zinc/03/93/56/222039356.db2.gz SYVFLIRNMBNSPH-FQEVSTJZSA-N 1 1 384.451 3.559 50 0 GHAAMO CCc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1-c1ccc(F)cc1 ZINC000058155742 222041225 /nfs/dbraw/zinc/04/12/25/222041225.db2.gz HNVUSAWLKUSHHK-IBGZPJMESA-N 1 1 392.478 3.578 50 0 GHAAMO COc1ccc([C@H](C)NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000058159825 222041458 /nfs/dbraw/zinc/04/14/58/222041458.db2.gz MSSRICLKSTZNHL-KSZLIROESA-N 1 1 391.556 3.822 50 0 GHAAMO C[NH+]1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000060657368 222059016 /nfs/dbraw/zinc/05/90/16/222059016.db2.gz PXJVAJXPYLKMIX-UHFFFAOYSA-N 1 1 394.906 3.639 50 0 GHAAMO C[N@@H+](Cc1cnc(-c2ccc3ccccc3c2)nc1)CC1(CO)CCOCC1 ZINC000063868907 222069494 /nfs/dbraw/zinc/06/94/94/222069494.db2.gz ZZPNAAHGJDVMRQ-UHFFFAOYSA-N 1 1 377.488 3.518 50 0 GHAAMO CCCCc1nn2c(nc(C[N@H+](C)Cc3ccc(Cl)cc3)cc2=O)s1 ZINC000064592893 222076483 /nfs/dbraw/zinc/07/64/83/222076483.db2.gz DDYABCXTGGTQGW-UHFFFAOYSA-N 1 1 376.913 3.779 50 0 GHAAMO CCCCc1nn2c(nc(C[N@@H+](C)Cc3ccc(Cl)cc3)cc2=O)s1 ZINC000064592893 222076486 /nfs/dbraw/zinc/07/64/86/222076486.db2.gz DDYABCXTGGTQGW-UHFFFAOYSA-N 1 1 376.913 3.779 50 0 GHAAMO CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000064592889 222076785 /nfs/dbraw/zinc/07/67/85/222076785.db2.gz DFHFOOQHIXMJQI-UHFFFAOYSA-N 1 1 394.475 3.979 50 0 GHAAMO CC[NH+]1CCN(C(=O)Cn2cccc2-c2nc(-c3ccc(C)cc3)cs2)CC1 ZINC000064677223 222078992 /nfs/dbraw/zinc/07/89/92/222078992.db2.gz VRDYGGPQOJZUSI-UHFFFAOYSA-N 1 1 394.544 3.751 50 0 GHAAMO CC(C)c1ccsc1C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000064711630 222079148 /nfs/dbraw/zinc/07/91/48/222079148.db2.gz KDCRFAOFBYZNMR-FQEVSTJZSA-N 1 1 385.577 3.980 50 0 GHAAMO CC(C)c1ccsc1C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000064711630 222079150 /nfs/dbraw/zinc/07/91/50/222079150.db2.gz KDCRFAOFBYZNMR-FQEVSTJZSA-N 1 1 385.577 3.980 50 0 GHAAMO CC(C)c1ccsc1C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000064711630 222079153 /nfs/dbraw/zinc/07/91/53/222079153.db2.gz KDCRFAOFBYZNMR-FQEVSTJZSA-N 1 1 385.577 3.980 50 0 GHAAMO CC[N@@H+](CCNC(=O)CCc1cc2cc(C)ccc2[nH]c1=O)Cc1ccccc1 ZINC000065245496 222115094 /nfs/dbraw/zinc/11/50/94/222115094.db2.gz QVWCTAGXLNGHAR-UHFFFAOYSA-N 1 1 391.515 3.820 50 0 GHAAMO COc1cc(F)ccc1-c1c(-c2ccccc2)ncn1CCN1CC[NH+](C)CC1 ZINC000065406799 222127608 /nfs/dbraw/zinc/12/76/08/222127608.db2.gz XWJBQEVSSSAJIP-UHFFFAOYSA-N 1 1 394.494 3.612 50 0 GHAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCOc2ccccc21 ZINC000065578426 222134885 /nfs/dbraw/zinc/13/48/85/222134885.db2.gz YPKZXKSDFJXRBE-PZJWPPBQSA-N 1 1 379.504 3.722 50 0 GHAAMO COCC[N@@H+](Cc1sccc1C)C[C@]1(c2cccc(OC)c2)CCOC1 ZINC000067697389 222156223 /nfs/dbraw/zinc/15/62/23/222156223.db2.gz WCGACBAINZQRLE-OAQYLSRUSA-N 1 1 375.534 3.872 50 0 GHAAMO COc1cc(-c2csc3ccccc23)cc2c1OCC[N@@H+](CCC(N)=O)C2 ZINC000067758944 222156994 /nfs/dbraw/zinc/15/69/94/222156994.db2.gz CNAVQECJWPTYAH-UHFFFAOYSA-N 1 1 382.485 3.647 50 0 GHAAMO Cc1oc(-c2ccccc2Cl)nc1C[NH+]1CCC2(CN(C)C(=O)O2)CC1 ZINC000072481285 222266059 /nfs/dbraw/zinc/26/60/59/222266059.db2.gz DLRRUXIEQNYKPU-UHFFFAOYSA-N 1 1 375.856 3.720 50 0 GHAAMO CC(C)[C@H]1CN(C(=O)CCc2ccncc2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000072128421 222209689 /nfs/dbraw/zinc/20/96/89/222209689.db2.gz GNIXSMMVWZTGCZ-JOCHJYFZSA-N 1 1 383.511 3.912 50 0 GHAAMO Cc1ccc(C2(C(=O)N3CC[NH+](Cc4ccccc4C)CC3)CCOCC2)cc1 ZINC000072265180 222218980 /nfs/dbraw/zinc/21/89/80/222218980.db2.gz QXQXUPIPGSRHGZ-UHFFFAOYSA-N 1 1 392.543 3.696 50 0 GHAAMO Cc1ccc2nc(-c3ccc(F)cc3)c(C[N@@H+]3CCO[C@@H](CCO)C3)cc2c1 ZINC000072479830 222266836 /nfs/dbraw/zinc/26/68/36/222266836.db2.gz ANTZGINWTGUJCM-NRFANRHFSA-N 1 1 380.463 3.933 50 0 GHAAMO Cc1ccc2nc(-c3ccc(F)cc3)c(C[N@H+]3CCO[C@@H](CCO)C3)cc2c1 ZINC000072479830 222266839 /nfs/dbraw/zinc/26/68/39/222266839.db2.gz ANTZGINWTGUJCM-NRFANRHFSA-N 1 1 380.463 3.933 50 0 GHAAMO C[C@H](CNc1ccccc1)NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000084640167 222320267 /nfs/dbraw/zinc/32/02/67/222320267.db2.gz YDONTRJGHORUBI-MSOLQXFVSA-N 1 1 382.508 3.702 50 0 GHAAMO Cc1noc(C)c1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000095524097 222348266 /nfs/dbraw/zinc/34/82/66/222348266.db2.gz UIMHSEYEPKDJDM-QGZVFWFLSA-N 1 1 379.464 3.532 50 0 GHAAMO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000095528828 222352830 /nfs/dbraw/zinc/35/28/30/222352830.db2.gz WIZHKLGBGHROPI-OAHLLOKOSA-N 1 1 388.899 3.770 50 0 GHAAMO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000095528828 222352832 /nfs/dbraw/zinc/35/28/32/222352832.db2.gz WIZHKLGBGHROPI-OAHLLOKOSA-N 1 1 388.899 3.770 50 0 GHAAMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000096007032 222371270 /nfs/dbraw/zinc/37/12/70/222371270.db2.gz XWGSFTWNODBYNK-HMXCVIKNSA-N 1 1 398.934 3.717 50 0 GHAAMO CCOC(=O)c1cc(NC(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)ccc1Cl ZINC000096147933 222389256 /nfs/dbraw/zinc/38/92/56/222389256.db2.gz ACNCILCEJWTWCX-GOSISDBHSA-N 1 1 387.867 3.695 50 0 GHAAMO CC(C)[N@H+]1CCCC[C@H]1CCNC(=O)N(C)Cc1nnc(-c2ccccc2)o1 ZINC000426529314 529005451 /nfs/dbraw/zinc/00/54/51/529005451.db2.gz NOFDFSMQVLSGIH-SFHVURJKSA-N 1 1 385.512 3.531 50 0 GHAAMO CCc1nc2c(ncnc2N2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C)C3)o1 ZINC000096163987 536154940 /nfs/dbraw/zinc/15/49/40/536154940.db2.gz DJQYAQIQQSYSIA-SFHVURJKSA-N 1 1 391.519 3.886 50 0 GHAAMO COc1ccc(CN2CC[N@@H+](Cc3c[nH]c4ccccc34)C[C@@H]2CCO)cc1C ZINC000019745825 570213561 /nfs/dbraw/zinc/21/35/61/570213561.db2.gz QAYAOIWEVBQQGZ-NRFANRHFSA-N 1 1 393.531 3.554 50 0 GHAAMO COc1ccc(C[N@@H+]2CCN(Cc3c[nH]c4ccccc34)C[C@@H]2CCO)cc1C ZINC000019745825 570213563 /nfs/dbraw/zinc/21/35/63/570213563.db2.gz QAYAOIWEVBQQGZ-NRFANRHFSA-N 1 1 393.531 3.554 50 0 GHAAMO COc1ccc(C[N@H+]2CCN(Cc3c[nH]c4ccccc34)C[C@@H]2CCO)cc1C ZINC000019745825 570213564 /nfs/dbraw/zinc/21/35/64/570213564.db2.gz QAYAOIWEVBQQGZ-NRFANRHFSA-N 1 1 393.531 3.554 50 0 GHAAMO COc1ccc(C[NH+]2CCN(Cc3ccccc3Br)CC2)cc1 ZINC000019781617 570218806 /nfs/dbraw/zinc/21/88/06/570218806.db2.gz PIXNHUYOIVXEHL-UHFFFAOYSA-N 1 1 375.310 3.776 50 0 GHAAMO CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2cccn2-c2nccs2)C1 ZINC000019840462 570224544 /nfs/dbraw/zinc/22/45/44/570224544.db2.gz WFHYJXBIRDURSK-LJQANCHMSA-N 1 1 381.549 3.815 50 0 GHAAMO CC[C@@H](CNC(=O)c1ccc(-c2cccc(F)c2C)cc1)[NH+]1CCN(C)CC1 ZINC000584902581 570271797 /nfs/dbraw/zinc/27/17/97/570271797.db2.gz CTIVUTBTMMWFSM-FQEVSTJZSA-N 1 1 383.511 3.557 50 0 GHAAMO CC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)CC1 ZINC000020907536 570284181 /nfs/dbraw/zinc/28/41/81/570284181.db2.gz BLUWYBQSHFDBGR-FQEVSTJZSA-N 1 1 390.527 3.844 50 0 GHAAMO C[NH+]1CCN(Cc2cccc(C(=O)c3ccc(Br)c(F)c3)c2)CC1 ZINC000022028035 570302576 /nfs/dbraw/zinc/30/25/76/570302576.db2.gz NOHOKOKTOHBLAQ-UHFFFAOYSA-N 1 1 391.284 3.567 50 0 GHAAMO C[NH+]1CCN(Cc2ccc(C(=O)c3ccc(Br)cc3F)cc2)CC1 ZINC000022027938 570302592 /nfs/dbraw/zinc/30/25/92/570302592.db2.gz NDMNMRSPCRGNHJ-UHFFFAOYSA-N 1 1 391.284 3.567 50 0 GHAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c3c(cccc31)CC2 ZINC000022276194 570312118 /nfs/dbraw/zinc/31/21/18/570312118.db2.gz NLQULGDBVGCVRI-UHFFFAOYSA-N 1 1 386.495 3.701 50 0 GHAAMO CC(C)CC[N@H+]1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)C[C@@H]1CCO ZINC000022913540 570334000 /nfs/dbraw/zinc/33/40/00/570334000.db2.gz QESJEGVGTBYBGH-FQEVSTJZSA-N 1 1 390.959 3.645 50 0 GHAAMO OCC[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[N@H+]1Cc1cccs1 ZINC000023145723 570347056 /nfs/dbraw/zinc/34/70/56/570347056.db2.gz XHSFORFUJLZROR-KRWDZBQOSA-N 1 1 384.467 3.836 50 0 GHAAMO COc1ccccc1[C@@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)[NH+](C)C ZINC000023178516 570348075 /nfs/dbraw/zinc/34/80/75/570348075.db2.gz DGXAQOINOKOXGC-GOSISDBHSA-N 1 1 390.911 3.925 50 0 GHAAMO COc1ccc2[nH]c(CN3CC[N@H+](Cc4ccsc4)[C@@H](CCO)C3)c(C)c2c1 ZINC000023361003 570356842 /nfs/dbraw/zinc/35/68/42/570356842.db2.gz BNZIGALBYNCOOE-SFHVURJKSA-N 1 1 399.560 3.615 50 0 GHAAMO COc1ccc2[nH]c(CN3CC[N@@H+](Cc4ccsc4)[C@@H](CCO)C3)c(C)c2c1 ZINC000023361003 570356846 /nfs/dbraw/zinc/35/68/46/570356846.db2.gz BNZIGALBYNCOOE-SFHVURJKSA-N 1 1 399.560 3.615 50 0 GHAAMO COc1ccc2[nH]c(C[N@@H+]3CCN(Cc4ccsc4)[C@@H](CCO)C3)c(C)c2c1 ZINC000023361003 570356849 /nfs/dbraw/zinc/35/68/49/570356849.db2.gz BNZIGALBYNCOOE-SFHVURJKSA-N 1 1 399.560 3.615 50 0 GHAAMO COc1ccc2[nH]c(C[N@H+]3CCN(Cc4ccsc4)[C@@H](CCO)C3)c(C)c2c1 ZINC000023361003 570356850 /nfs/dbraw/zinc/35/68/50/570356850.db2.gz BNZIGALBYNCOOE-SFHVURJKSA-N 1 1 399.560 3.615 50 0 GHAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc3c(s2)c2ccccc2[nH]c3=O)C1 ZINC000004929426 570371659 /nfs/dbraw/zinc/37/16/59/570371659.db2.gz MMQABWKTLGJHDI-GASCZTMLSA-N 1 1 397.544 3.841 50 0 GHAAMO CCOC(=O)c1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000004629720 570388674 /nfs/dbraw/zinc/38/86/74/570388674.db2.gz WDUWRUKWJPTZGY-UHFFFAOYSA-N 1 1 394.500 3.844 50 0 GHAAMO COc1ccc(NC(=O)CN2CC[NH+](Cc3csc4ccccc34)CC2)cc1 ZINC000024767451 570392673 /nfs/dbraw/zinc/39/26/73/570392673.db2.gz UPOAOSTUNYMYPC-UHFFFAOYSA-N 1 1 395.528 3.666 50 0 GHAAMO Cc1cc(C)c([C@@H]2Nc3ccccc3C(=O)N2CCC[NH+]2CCOCC2)cc1C ZINC000024925994 570398462 /nfs/dbraw/zinc/39/84/62/570398462.db2.gz ZVUHRGSCHAWQAA-HSZRJFAPSA-N 1 1 393.531 3.901 50 0 GHAAMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)C[C@H](C)O1 ZINC000024965419 570400297 /nfs/dbraw/zinc/40/02/97/570400297.db2.gz DXSKAWFPOUMWHN-ROUUACIJSA-N 1 1 391.515 3.750 50 0 GHAAMO CC(C)[C@H](NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000025105299 570406165 /nfs/dbraw/zinc/40/61/65/570406165.db2.gz LZUDCAPQESSDIE-QFIPXVFZSA-N 1 1 399.510 3.854 50 0 GHAAMO CC[N@H+](Cc1ccc2c(c1)OCCO2)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000241121850 570431140 /nfs/dbraw/zinc/43/11/40/570431140.db2.gz JEHCCWYNWXBJMQ-UNMCSNQZSA-N 1 1 397.515 3.735 50 0 GHAAMO Cc1nc(C2CC[NH+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)no1 ZINC000156854237 570460472 /nfs/dbraw/zinc/46/04/72/570460472.db2.gz XBRTYQIJEVASLV-HXUWFJFHSA-N 1 1 376.460 3.937 50 0 GHAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000028973539 570467222 /nfs/dbraw/zinc/46/72/22/570467222.db2.gz VBNZZMWZKNSOFY-MRXNPFEDSA-N 1 1 390.281 3.628 50 0 GHAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000028973539 570467223 /nfs/dbraw/zinc/46/72/23/570467223.db2.gz VBNZZMWZKNSOFY-MRXNPFEDSA-N 1 1 390.281 3.628 50 0 GHAAMO CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)cc1 ZINC000029249724 570470812 /nfs/dbraw/zinc/47/08/12/570470812.db2.gz VDBMNNLNZNUCJQ-KRWDZBQOSA-N 1 1 383.492 3.871 50 0 GHAAMO Cc1noc(-c2ccc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)cc2)n1 ZINC000029873223 570481951 /nfs/dbraw/zinc/48/19/51/570481951.db2.gz BDVAPKUONYFBAV-SFHVURJKSA-N 1 1 384.867 3.731 50 0 GHAAMO CSCc1cccc(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000030000444 570484546 /nfs/dbraw/zinc/48/45/46/570484546.db2.gz QEBKJQVCZMHZBX-JOCHJYFZSA-N 1 1 397.588 3.658 50 0 GHAAMO CSCc1cccc(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000030000444 570484548 /nfs/dbraw/zinc/48/45/48/570484548.db2.gz QEBKJQVCZMHZBX-JOCHJYFZSA-N 1 1 397.588 3.658 50 0 GHAAMO CSCc1cccc(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000030000444 570484551 /nfs/dbraw/zinc/48/45/51/570484551.db2.gz QEBKJQVCZMHZBX-JOCHJYFZSA-N 1 1 397.588 3.658 50 0 GHAAMO CC(C)(C)c1nc(CN2CC[NH+](CCSc3ccc(Cl)cc3)CC2)no1 ZINC000078822182 570509752 /nfs/dbraw/zinc/50/97/52/570509752.db2.gz DPZJRZPNCCUCLG-UHFFFAOYSA-N 1 1 394.972 3.930 50 0 GHAAMO COc1ccc(C[N@@H+](CCC(C)C)C[C@@H](O)COc2ccccc2)cc1OC ZINC000036096105 570534147 /nfs/dbraw/zinc/53/41/47/570534147.db2.gz HOHLRVCBOBSHNX-HXUWFJFHSA-N 1 1 387.520 3.992 50 0 GHAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102672 570539551 /nfs/dbraw/zinc/53/95/51/570539551.db2.gz NFWZXWDMHMFGMN-IBGZPJMESA-N 1 1 377.431 3.671 50 0 GHAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102672 570539552 /nfs/dbraw/zinc/53/95/52/570539552.db2.gz NFWZXWDMHMFGMN-IBGZPJMESA-N 1 1 377.431 3.671 50 0 GHAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1cccc(OC)c1 ZINC000036098559 570560507 /nfs/dbraw/zinc/56/05/07/570560507.db2.gz OVECPMOBGLAXLP-FQEVSTJZSA-N 1 1 389.467 3.541 50 0 GHAAMO C[C@H](c1ncc(Br)cn1)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000225521591 570583206 /nfs/dbraw/zinc/58/32/06/570583206.db2.gz LILQXJIADQAFFK-QWHCGFSZSA-N 1 1 381.343 3.740 50 0 GHAAMO COc1cc(CN2CC[N@@H+](CC3CCCCC3)[C@H](CCO)C2)c(Cl)cc1O ZINC000039437025 570591453 /nfs/dbraw/zinc/59/14/53/570591453.db2.gz LVLROUYNAWZQMP-GOSISDBHSA-N 1 1 396.959 3.503 50 0 GHAAMO COc1cc2c(cc1CN1CC[N@@H+](C)[C@H](CCO)C1)oc(C)c2-c1ccccc1 ZINC000039485216 570592549 /nfs/dbraw/zinc/59/25/49/570592549.db2.gz LIWIMJKTQGFECT-HXUWFJFHSA-N 1 1 394.515 3.915 50 0 GHAAMO Cc1ccc(C)c(NC(=S)N[C@H](C)[C@H](c2ccccc2)[NH+]2CCN(C)CC2)c1 ZINC000022928351 570631830 /nfs/dbraw/zinc/63/18/30/570631830.db2.gz RGRSRLIVBRRLKQ-DENIHFKCSA-N 1 1 396.604 3.967 50 0 GHAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccnc(-n4ccnc4)c3)cc2)C1 ZINC000058395144 570648829 /nfs/dbraw/zinc/64/88/29/570648829.db2.gz NAOAYIGAPSALQE-QGZVFWFLSA-N 1 1 375.476 3.752 50 0 GHAAMO CC(C)(CNC(=O)c1ccc(Br)o1)[N@H+]1CCc2ccccc2C1 ZINC000025461074 570754718 /nfs/dbraw/zinc/75/47/18/570754718.db2.gz KZCUOUKKTYCBMZ-UHFFFAOYSA-N 1 1 377.282 3.609 50 0 GHAAMO CCOC(=O)[C@H]1CCC[N@H+](Cc2csc(-c3cccc(OC)c3OC)n2)C1 ZINC000032758247 570798008 /nfs/dbraw/zinc/79/80/08/570798008.db2.gz MUWDDKCBOHMXFS-AWEZNQCLSA-N 1 1 390.505 3.602 50 0 GHAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2csc(-c3cccc(OC)c3OC)n2)C1 ZINC000032758247 570798014 /nfs/dbraw/zinc/79/80/14/570798014.db2.gz MUWDDKCBOHMXFS-AWEZNQCLSA-N 1 1 390.505 3.602 50 0 GHAAMO Brc1ccc(OCC[N@@H+]2CCC[C@@H]2c2nnc3ccccn32)cc1 ZINC000032797405 570819784 /nfs/dbraw/zinc/81/97/84/570819784.db2.gz MHABKUZKWBWWSU-MRXNPFEDSA-N 1 1 387.281 3.708 50 0 GHAAMO Brc1ccc(OCC[N@H+]2CCC[C@@H]2c2nnc3ccccn32)cc1 ZINC000032797405 570819785 /nfs/dbraw/zinc/81/97/85/570819785.db2.gz MHABKUZKWBWWSU-MRXNPFEDSA-N 1 1 387.281 3.708 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000007267394 570822471 /nfs/dbraw/zinc/82/24/71/570822471.db2.gz HXDVGYOFYFPPLD-NSHDSACASA-N 1 1 380.275 3.551 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000007267394 570822476 /nfs/dbraw/zinc/82/24/76/570822476.db2.gz HXDVGYOFYFPPLD-NSHDSACASA-N 1 1 380.275 3.551 50 0 GHAAMO CCn1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c1C ZINC000072145090 570871107 /nfs/dbraw/zinc/87/11/07/570871107.db2.gz UFXSIIMZBSJKLX-OAQYLSRUSA-N 1 1 386.515 3.723 50 0 GHAAMO Clc1cccc(N2CCN(Cc3ccc(OC4CC[NH2+]CC4)cc3)CC2)c1 ZINC000299755377 570891686 /nfs/dbraw/zinc/89/16/86/570891686.db2.gz ICHIDVVXECZATG-UHFFFAOYSA-N 1 1 385.939 3.793 50 0 GHAAMO Cc1nn(C(F)F)cc1-c1cccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000299769532 570893916 /nfs/dbraw/zinc/89/39/16/570893916.db2.gz SGIQCTOCKACUJK-KRWDZBQOSA-N 1 1 388.418 3.879 50 0 GHAAMO Fc1ccc(C[N@H+]2CCCN(Cc3cc(Cl)c4c(c3)OCCO4)CC2)cc1 ZINC000032901227 570896742 /nfs/dbraw/zinc/89/67/42/570896742.db2.gz KNEVJDQGJFCLBH-UHFFFAOYSA-N 1 1 390.886 3.958 50 0 GHAAMO C[C@H]1CCCC[N@H+]1Cc1cccc(NC(=O)NCCCc2csc(N)n2)c1 ZINC000299801490 570898053 /nfs/dbraw/zinc/89/80/53/570898053.db2.gz ZJFNPJQNJVYFDG-HNNXBMFYSA-N 1 1 387.553 3.854 50 0 GHAAMO O=C(CCc1nnc(-c2ccsc2)o1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000089834933 570916666 /nfs/dbraw/zinc/91/66/66/570916666.db2.gz PPFWTVHYDRBRBQ-GOSISDBHSA-N 1 1 396.516 3.512 50 0 GHAAMO CC(=O)NC1CCN(C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC000585138578 570951215 /nfs/dbraw/zinc/95/12/15/570951215.db2.gz HCPZFRNYIFWLBH-HSZRJFAPSA-N 1 1 379.548 3.503 50 0 GHAAMO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000107543073 570974509 /nfs/dbraw/zinc/97/45/09/570974509.db2.gz ISDVVXGHEAQOSG-QAPCUYQASA-N 1 1 385.474 3.747 50 0 GHAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)Nc1ccccc1Cl ZINC000002468624 570989720 /nfs/dbraw/zinc/98/97/20/570989720.db2.gz ZLJSNURBPXJKAQ-UHFFFAOYSA-N 1 1 390.890 3.813 50 0 GHAAMO Cc1cccc(CC(=O)NCc2cc3n(n2)CCC[N@H+](C2CCCCC2)C3)c1 ZINC000091459335 571009321 /nfs/dbraw/zinc/00/93/21/571009321.db2.gz OUWZMPDEMHARAL-UHFFFAOYSA-N 1 1 380.536 3.589 50 0 GHAAMO O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000084398247 571017250 /nfs/dbraw/zinc/01/72/50/571017250.db2.gz AEQVCWSTRWZHTL-NRFANRHFSA-N 1 1 389.971 3.828 50 0 GHAAMO O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000084398247 571017256 /nfs/dbraw/zinc/01/72/56/571017256.db2.gz AEQVCWSTRWZHTL-NRFANRHFSA-N 1 1 389.971 3.828 50 0 GHAAMO O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000084398250 571017327 /nfs/dbraw/zinc/01/73/27/571017327.db2.gz AEQVCWSTRWZHTL-OAQYLSRUSA-N 1 1 389.971 3.828 50 0 GHAAMO O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000084398250 571017332 /nfs/dbraw/zinc/01/73/32/571017332.db2.gz AEQVCWSTRWZHTL-OAQYLSRUSA-N 1 1 389.971 3.828 50 0 GHAAMO O=C(c1cccn1C1CC1)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000091695284 571026343 /nfs/dbraw/zinc/02/63/43/571026343.db2.gz BNMANQOPKHZFTR-RBBKRZOGSA-N 1 1 377.532 3.992 50 0 GHAAMO Cc1cc(C)n(-c2ccc(F)cc2C[N@@H+]2CC[C@]3(C2)CCCN(C(C)C)C3=O)n1 ZINC000092021068 571040838 /nfs/dbraw/zinc/04/08/38/571040838.db2.gz WLJRROFJCUTNIQ-QHCPKHFHSA-N 1 1 398.526 3.851 50 0 GHAAMO CC(=O)c1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)cc1 ZINC000095358553 571053588 /nfs/dbraw/zinc/05/35/88/571053588.db2.gz HEMQTAVYLWTANC-PGRDOPGGSA-N 1 1 380.463 3.765 50 0 GHAAMO CC(=O)c1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C3)cc1 ZINC000095358553 571053593 /nfs/dbraw/zinc/05/35/93/571053593.db2.gz HEMQTAVYLWTANC-PGRDOPGGSA-N 1 1 380.463 3.765 50 0 GHAAMO COc1ccc(F)c(F)c1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000095362457 571055937 /nfs/dbraw/zinc/05/59/37/571055937.db2.gz TXZACSAAUFUUQD-DLBZAZTESA-N 1 1 386.442 3.710 50 0 GHAAMO COc1ccc(C2(C(=O)N3C[C@H]4CC[C@@H]3C[N@@H+](Cc3ccccc3)C4)CC2)cc1 ZINC000095379164 571066323 /nfs/dbraw/zinc/06/63/23/571066323.db2.gz GFVBXKLTAPORPF-RBBKRZOGSA-N 1 1 390.527 3.850 50 0 GHAAMO COCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000078757365 834521336 /nfs/dbraw/zinc/52/13/36/834521336.db2.gz XAINVYGFNOEZNX-IBGZPJMESA-N 1 1 393.487 3.678 50 0 GHAAMO CC(C)CCN1CC[C@@H]([NH+]2CCN([C@H]3CCc4ccccc4C3)CC2)CCC1=O ZINC000023359363 836739947 /nfs/dbraw/zinc/73/99/47/836739947.db2.gz ARAVONUXXIWKFU-ZEQRLZLVSA-N 1 1 397.607 3.589 50 0 GHAAMO Cc1ccc(C(=O)N2CCC([N@H+]3C[C@@H](OCC4CC4)C34CCCCC4)CC2)cn1 ZINC000257175504 838695220 /nfs/dbraw/zinc/69/52/20/838695220.db2.gz BAAFXYUVJCDARC-JOCHJYFZSA-N 1 1 397.563 3.808 50 0 GHAAMO C[N@H+]1CCCCC[C@@H]1C(=O)N1CCC(n2c(C3CCC3)nc3cccnc32)CC1 ZINC000299800943 840787984 /nfs/dbraw/zinc/78/79/84/840787984.db2.gz WRLQDAFFPRVKDS-HXUWFJFHSA-N 1 1 395.551 3.737 50 0 GHAAMO c1cc2cc(C[N@@H+]3CC[C@@H](n4cc(COCc5ccccc5)nn4)C3)ccc2[nH]1 ZINC000675010004 840851919 /nfs/dbraw/zinc/85/19/19/840851919.db2.gz DCLPXHKUHMJKKQ-JOCHJYFZSA-N 1 1 387.487 3.923 50 0 GHAAMO COc1ccccc1OC1CN(C(=O)c2ccc(-c3[nH+]c(C)[nH]c3C)cc2)C1 ZINC000584894168 841185800 /nfs/dbraw/zinc/18/58/00/841185800.db2.gz SBVWCNHZZRPGTC-UHFFFAOYSA-N 1 1 377.444 3.606 50 0 GHAAMO Cc1ccc(-c2cc(CN3CC[C@H](C[N@H+](C)Cc4cccnc4)C3)on2)cc1 ZINC000195301166 841522770 /nfs/dbraw/zinc/52/27/70/841522770.db2.gz DPVPFISOIKBMFQ-HXUWFJFHSA-N 1 1 376.504 3.999 50 0 GHAAMO Cc1ccc(-c2cc(C[N@H+]3CC[C@H](CN(C)Cc4cccnc4)C3)on2)cc1 ZINC000195301166 841522772 /nfs/dbraw/zinc/52/27/72/841522772.db2.gz DPVPFISOIKBMFQ-HXUWFJFHSA-N 1 1 376.504 3.999 50 0 GHAAMO Cc1ccc(-c2cc(C[N@@H+]3CC[C@H](CN(C)Cc4cccnc4)C3)on2)cc1 ZINC000195301166 841522775 /nfs/dbraw/zinc/52/27/75/841522775.db2.gz DPVPFISOIKBMFQ-HXUWFJFHSA-N 1 1 376.504 3.999 50 0 GHAAMO CC(C)[N@@H+](CCNC(=O)/C=C1\Sc2ccccc2NC1=O)Cc1ccccc1 ZINC000003049767 862146262 /nfs/dbraw/zinc/14/62/62/862146262.db2.gz RBSSWACFTDLQGN-ZHZULCJRSA-N 1 1 395.528 3.642 50 0 GHAAMO Cc1c(Cl)cccc1NC(=S)N1CCC([N@@H+](C)C[C@H]2CCCO2)CC1 ZINC000003058105 862153198 /nfs/dbraw/zinc/15/31/98/862153198.db2.gz BYSFEEMCOUSFBD-MRXNPFEDSA-N 1 1 381.973 3.920 50 0 GHAAMO C[N@@H+]1CCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)[C@@H](c2ccccc2)C1 ZINC000024929548 851594423 /nfs/dbraw/zinc/59/44/23/851594423.db2.gz PKWSKHGVOJSRHB-IHHMQQGQSA-N 1 1 398.890 3.640 50 0 GHAAMO C[N@H+]1CCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)[C@@H](c2ccccc2)C1 ZINC000024929548 851594431 /nfs/dbraw/zinc/59/44/31/851594431.db2.gz PKWSKHGVOJSRHB-IHHMQQGQSA-N 1 1 398.890 3.640 50 0 GHAAMO Brc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2OC3)cc1 ZINC000002314509 855192428 /nfs/dbraw/zinc/19/24/28/855192428.db2.gz WGYUVTZIHQLYBS-KRWDZBQOSA-N 1 1 381.233 3.512 50 0 GHAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](C)C[C@H](O)c4ccc(O)cc4)[C@H]3C=C12 ZINC000004073810 862755133 /nfs/dbraw/zinc/75/51/33/862755133.db2.gz UIYOCYWELGJUCX-IURAJXBBSA-N 1 1 399.531 3.672 50 0 biogenic GHAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)N1CCc2ccccc21 ZINC000008278430 856093671 /nfs/dbraw/zinc/09/36/71/856093671.db2.gz UJQIBYBLELSUGP-IBGZPJMESA-N 1 1 378.472 3.574 50 0 GHAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)N1CCc2ccccc21 ZINC000008278430 856093681 /nfs/dbraw/zinc/09/36/81/856093681.db2.gz UJQIBYBLELSUGP-IBGZPJMESA-N 1 1 378.472 3.574 50 0 GHAAMO CCCC[N@@H+](CC)CC(=O)Nc1sc2c(c1C(=O)OCC)CC(C)(C)OC2 ZINC000002275973 856360156 /nfs/dbraw/zinc/36/01/56/856360156.db2.gz RNVWXXFSSDDASA-UHFFFAOYSA-N 1 1 396.553 3.837 50 0 GHAAMO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccn2)C2CC2)c(C(C)(C)C)c1 ZINC000039982552 856615585 /nfs/dbraw/zinc/61/55/85/856615585.db2.gz GOLBGJNWFNYICZ-IBGZPJMESA-N 1 1 384.520 3.792 50 0 GHAAMO Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000040012771 856627921 /nfs/dbraw/zinc/62/79/21/856627921.db2.gz DHUKJEWOAWQZSK-HXUWFJFHSA-N 1 1 390.959 3.771 50 0 GHAAMO COc1ccccc1[C@H](CNC(=O)c1ccc(CSC(F)F)o1)[NH+](C)C ZINC000040090998 856659715 /nfs/dbraw/zinc/65/97/15/856659715.db2.gz BZSCAEKEEPQKQB-AWEZNQCLSA-N 1 1 384.448 3.777 50 0 GHAAMO COc1cccc(CN2CCC([N@H+]3C[C@H](OCC4CC4)C34CCCCC4)CC2)n1 ZINC000169787012 859783006 /nfs/dbraw/zinc/78/30/06/859783006.db2.gz XVTRWMPDAIGFQB-QFIPXVFZSA-N 1 1 399.579 3.868 50 0 GHAAMO O=S(=O)(NC[C@H]1CCC[N@H+](C2CCCCC2)C1)c1cccc2cccnc21 ZINC000012314758 859886185 /nfs/dbraw/zinc/88/61/85/859886185.db2.gz YNEBTFWVGAAVTH-QGZVFWFLSA-N 1 1 387.549 3.558 50 0 GHAAMO C[NH+]1CCN(CCn2c(-c3ccc(Cl)cc3)cn3c4ccccc4nc32)CC1 ZINC000019790754 860367170 /nfs/dbraw/zinc/36/71/70/860367170.db2.gz DHQUPQYVXDHZKL-UHFFFAOYSA-N 1 1 393.922 3.857 50 0 GHAAMO CCc1ccc(-c2nc(CSCC(=O)N3CC[NH+](CC)CC3)c(C)o2)cc1 ZINC000020241264 860525564 /nfs/dbraw/zinc/52/55/64/860525564.db2.gz MUJSLGLZBBSQRC-UHFFFAOYSA-N 1 1 387.549 3.610 50 0 GHAAMO CCOc1ccc2oc(=O)cc(C[NH+]3CCN(c4cccc(OC)c4)CC3)c2c1 ZINC000020446823 860577049 /nfs/dbraw/zinc/57/70/49/860577049.db2.gz LKYLJPULWQWBII-UHFFFAOYSA-N 1 1 394.471 3.523 50 0 GHAAMO COc1cc(OC)c(NC(=O)NC[C@H]2CC[N@H+](C3CCCC3)C2)cc1Cl ZINC000021175347 860733815 /nfs/dbraw/zinc/73/38/15/860733815.db2.gz CJOWRXZYAFNDGO-CYBMUJFWSA-N 1 1 381.904 3.743 50 0 GHAAMO Cc1[nH]nc2ncc(NC(=O)[C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)cc12 ZINC000095993152 860736903 /nfs/dbraw/zinc/73/69/03/860736903.db2.gz XXMWIGFKHCDIET-HNNXBMFYSA-N 1 1 378.480 3.712 50 0 GHAAMO Cn1ncc(C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1C(F)(F)F ZINC000095993108 860737274 /nfs/dbraw/zinc/73/72/74/860737274.db2.gz RDYFDSKVYPJDDX-CQSZACIVSA-N 1 1 396.461 3.984 50 0 GHAAMO Cn1ncc(C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1C(F)(F)F ZINC000095993108 860737282 /nfs/dbraw/zinc/73/72/82/860737282.db2.gz RDYFDSKVYPJDDX-CQSZACIVSA-N 1 1 396.461 3.984 50 0 GHAAMO OCC[NH+]1CCN([C@H]2Cc3ccc(F)cc3Sc3ccc(Cl)cc32)CC1 ZINC000096257163 860824016 /nfs/dbraw/zinc/82/40/16/860824016.db2.gz HFVFYDNXVLFKQV-SFHVURJKSA-N 1 1 392.927 3.837 50 0 GHAAMO COc1ccc(C[N@H+]2CCCC[C@H]2CCn2cccn2)cc1Cn1cccn1 ZINC000824722777 864122355 /nfs/dbraw/zinc/12/23/55/864122355.db2.gz NXLIIXXDUMOQQS-NRFANRHFSA-N 1 1 379.508 3.581 50 0 GHAAMO C[C@H]1C[N@H+](C2CCN(C(=O)Nc3ccc(OC(C)(C)C)cc3)CC2)CCO1 ZINC000173689160 864972081 /nfs/dbraw/zinc/97/20/81/864972081.db2.gz LLQDNTPISAYWNT-INIZCTEOSA-N 1 1 375.513 3.581 50 0 GHAAMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cn(C(C)(C)C)nc1C ZINC000183773140 867749580 /nfs/dbraw/zinc/74/95/80/867749580.db2.gz FKULIQHPYMHICN-LJQANCHMSA-N 1 1 398.551 3.779 50 0 GHAAMO O=C(N1CC([N@@H+](Cc2ccccc2)C2CCOCC2)C1)C1(c2ccccc2)CC1 ZINC000581794881 870013603 /nfs/dbraw/zinc/01/36/03/870013603.db2.gz WKPGUOPJKORLOZ-UHFFFAOYSA-N 1 1 390.527 3.610 50 0 GHAAMO c1ccc(COCCc2noc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)cc1 ZINC000581821078 870053470 /nfs/dbraw/zinc/05/34/70/870053470.db2.gz ACMYVNVYYQMIGP-IBGZPJMESA-N 1 1 378.476 3.604 50 0 GHAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH+]1CCC(c2c[nH]nc2C)CC1 ZINC000585081332 897051486 /nfs/dbraw/zinc/05/14/86/897051486.db2.gz GLWYWFYZFBWSQJ-AWEZNQCLSA-N 1 1 390.915 3.895 50 0 GHAAMO Cc1cc2[nH]c(C(=O)Nc3cc(F)cc(F)c3)c(C[NH+]3CCOCC3)c2s1 ZINC000096363807 914434092 /nfs/dbraw/zinc/43/40/92/914434092.db2.gz BSTOWZGIHMTEFS-UHFFFAOYSA-N 1 1 391.443 3.901 50 0 GHAAMO COc1cc2c(cc1C[N@H+]1CCC[C@@H](Cc3nc4ccccc4[nH]3)C1)OCO2 ZINC000952962490 904641279 /nfs/dbraw/zinc/64/12/79/904641279.db2.gz DZLSOSNNXWWKQX-HNNXBMFYSA-N 1 1 379.460 3.755 50 0 GHAAMO c1cn(CCCOc2cccc(C[N@@H+]3CCO[C@@H](c4ccccc4)C3)c2)cn1 ZINC000952989085 904674578 /nfs/dbraw/zinc/67/45/78/904674578.db2.gz USBWAMZLASMVSA-HSZRJFAPSA-N 1 1 377.488 3.926 50 0 GHAAMO c1cn(CCCOc2cccc(C[N@H+]3CCO[C@@H](c4ccccc4)C3)c2)cn1 ZINC000952989085 904674586 /nfs/dbraw/zinc/67/45/86/904674586.db2.gz USBWAMZLASMVSA-HSZRJFAPSA-N 1 1 377.488 3.926 50 0 GHAAMO Cc1cccc2cc(C(=O)Nc3cccc(NC(=O)C[NH+](C)C)c3)c(C)nc12 ZINC000952989875 904675920 /nfs/dbraw/zinc/67/59/20/904675920.db2.gz ITEQJXGWNYEGNY-UHFFFAOYSA-N 1 1 376.460 3.604 50 0 GHAAMO Cc1ccccc1[C@@H](C)CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000247198494 911037971 /nfs/dbraw/zinc/03/79/71/911037971.db2.gz LSDQOHAEOPJGBW-UWJYYQICSA-N 1 1 379.504 3.577 50 0 GHAAMO Cc1ccccc1[C@@H](C)CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000247198494 911037987 /nfs/dbraw/zinc/03/79/87/911037987.db2.gz LSDQOHAEOPJGBW-UWJYYQICSA-N 1 1 379.504 3.577 50 0 GHAAMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cnc4cc(C)ccn34)C2)cc1 ZINC000092708816 911725584 /nfs/dbraw/zinc/72/55/84/911725584.db2.gz NLLAHFIYWXBUAN-IBGZPJMESA-N 1 1 391.519 3.985 50 0 GHAAMO Cn1cc(/C=C\C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4)s3)CC2)cn1 ZINC000098005556 916071967 /nfs/dbraw/zinc/07/19/67/916071967.db2.gz JVPFKDXIEAQZNN-YFHOEESVSA-N 1 1 392.528 3.506 50 0 GHAAMO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000014999281 919353187 /nfs/dbraw/zinc/35/31/87/919353187.db2.gz LLYVJVHHALASQR-GOSISDBHSA-N 1 1 379.533 3.882 50 0 GHAAMO COc1cc(C[N@H+]2CCC[C@H](N3CCOCC3)C2)ccc1OCc1ccccc1 ZINC000019789119 919597376 /nfs/dbraw/zinc/59/73/76/919597376.db2.gz IZRPYPUWZMIBAD-QFIPXVFZSA-N 1 1 396.531 3.571 50 0 GHAAMO COc1ccnc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)c1OC ZINC000190872213 1014579914 /nfs/dbraw/zinc/57/99/14/1014579914.db2.gz HKVFREDLNPZPST-KRWDZBQOSA-N 1 1 378.476 3.869 50 0 GHAAMO COc1ccccc1-c1csc(C2CC[NH+](CC(=O)N(C)CC3CC3)CC2)n1 ZINC000191512698 1020778440 /nfs/dbraw/zinc/77/84/40/1020778440.db2.gz FTCYHJDFYOXLLR-UHFFFAOYSA-N 1 1 399.560 3.867 50 0 GHAAMO O=C(c1onc2c1CCCC2)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000426573290 231243100 /nfs/dbraw/zinc/24/31/00/231243100.db2.gz OXRUFRVOZMOQDB-QHCPKHFHSA-N 1 1 397.494 3.821 50 0 GHAAMO O=C(Nc1ccc2c[nH]nc2c1)N1C[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000299790258 222789324 /nfs/dbraw/zinc/78/93/24/222789324.db2.gz BWBCFULHRORHKB-XLIONFOSSA-N 1 1 375.476 3.691 50 0 GHAAMO COc1ccc(CC[N@H+](C)CC(=O)Nc2cc(C)nc3ccccc32)cc1OC ZINC000000754669 212179073 /nfs/dbraw/zinc/17/90/73/212179073.db2.gz IKXLQJGYZYLUAZ-UHFFFAOYSA-N 1 1 393.487 3.673 50 0 GHAAMO COc1ccc(CC[N@@H+](C)CC(=O)Nc2cc(C)nc3ccccc32)cc1OC ZINC000000754669 212179077 /nfs/dbraw/zinc/17/90/77/212179077.db2.gz IKXLQJGYZYLUAZ-UHFFFAOYSA-N 1 1 393.487 3.673 50 0 GHAAMO COCCn1c(C(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc2ccccc21 ZINC000253411919 212136394 /nfs/dbraw/zinc/13/63/94/212136394.db2.gz PHGUILLOBIDHPP-VQTJNVASSA-N 1 1 383.536 3.624 50 0 biogenic GHAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cc3ccccc3[nH]2)C[C@H]1CCO ZINC000036385806 212119178 /nfs/dbraw/zinc/11/91/78/212119178.db2.gz DZGRLYLKYCPFRS-JOCHJYFZSA-N 1 1 393.531 3.635 50 0 GHAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cc3ccccc3[nH]2)C[C@H]1CCO ZINC000036385806 212119181 /nfs/dbraw/zinc/11/91/81/212119181.db2.gz DZGRLYLKYCPFRS-JOCHJYFZSA-N 1 1 393.531 3.635 50 0 GHAAMO CCOc1ccccc1CN1CC[N@H+](Cc2cc3ccccc3[nH]2)C[C@H]1CCO ZINC000036385806 212119184 /nfs/dbraw/zinc/11/91/84/212119184.db2.gz DZGRLYLKYCPFRS-JOCHJYFZSA-N 1 1 393.531 3.635 50 0 GHAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2cc3ccccc3[nH]2)C[C@H]1CCO ZINC000036385806 212119185 /nfs/dbraw/zinc/11/91/85/212119185.db2.gz DZGRLYLKYCPFRS-JOCHJYFZSA-N 1 1 393.531 3.635 50 0 GHAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000020947829 212113364 /nfs/dbraw/zinc/11/33/64/212113364.db2.gz LWMTUWAUVHCGHF-SXLOBPIMSA-N 1 1 384.520 3.776 50 0 GHAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000020947829 212113370 /nfs/dbraw/zinc/11/33/70/212113370.db2.gz LWMTUWAUVHCGHF-SXLOBPIMSA-N 1 1 384.520 3.776 50 0 GHAAMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000024775306 212112530 /nfs/dbraw/zinc/11/25/30/212112530.db2.gz VQRYHCJLMISQRB-RTBURBONSA-N 1 1 379.504 3.981 50 0 GHAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCOCCO)cc1 ZINC000002714354 220554277 /nfs/dbraw/zinc/55/42/77/220554277.db2.gz OXKCMIOMGNSAHP-UHFFFAOYSA-N 1 1 388.471 3.817 50 0 GHAAMO COc1ccc(OC)c(NC(=O)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000008092428 221026328 /nfs/dbraw/zinc/02/63/28/221026328.db2.gz HRZRAYBUTRYVOA-UHFFFAOYSA-N 1 1 382.382 3.793 50 0 GHAAMO COc1ccc(OC)c(NC(=O)C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000008092428 221026330 /nfs/dbraw/zinc/02/63/30/221026330.db2.gz HRZRAYBUTRYVOA-UHFFFAOYSA-N 1 1 382.382 3.793 50 0 GHAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000008157005 221029193 /nfs/dbraw/zinc/02/91/93/221029193.db2.gz BJIBWBXADJULFF-FQEVSTJZSA-N 1 1 393.487 3.598 50 0 GHAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000008157005 221029197 /nfs/dbraw/zinc/02/91/97/221029197.db2.gz BJIBWBXADJULFF-FQEVSTJZSA-N 1 1 393.487 3.598 50 0 GHAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000007918086 221015899 /nfs/dbraw/zinc/01/58/99/221015899.db2.gz JSVHGIHOQDNXIJ-INIZCTEOSA-N 1 1 387.911 3.532 50 0 GHAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000007918086 221015902 /nfs/dbraw/zinc/01/59/02/221015902.db2.gz JSVHGIHOQDNXIJ-INIZCTEOSA-N 1 1 387.911 3.532 50 0 GHAAMO COc1cc(C[N@H+](C)CC(=O)N[C@H](C)c2ccccc2)ccc1OC(F)F ZINC000007976973 221017693 /nfs/dbraw/zinc/01/76/93/221017693.db2.gz YVFNOAJQEOOENY-CQSZACIVSA-N 1 1 378.419 3.606 50 0 GHAAMO COc1cc(C[N@@H+](C)CC(=O)N[C@H](C)c2ccccc2)ccc1OC(F)F ZINC000007976973 221017695 /nfs/dbraw/zinc/01/76/95/221017695.db2.gz YVFNOAJQEOOENY-CQSZACIVSA-N 1 1 378.419 3.606 50 0 GHAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3cc(F)ccc3F)[N@@H+]3CCC[C@@]23C1=O ZINC000011772006 221125157 /nfs/dbraw/zinc/12/51/57/221125157.db2.gz SIEPKYYHVGFNJC-GRWTVWFQSA-N 1 1 398.453 3.911 50 0 GHAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3cc(F)ccc3F)[N@H+]3CCC[C@@]23C1=O ZINC000011772006 221125159 /nfs/dbraw/zinc/12/51/59/221125159.db2.gz SIEPKYYHVGFNJC-GRWTVWFQSA-N 1 1 398.453 3.911 50 0 GHAAMO CCOC(=O)C1(CC2CC2)CC[NH+](Cc2cc(Cl)c(O)c(OC)c2)CC1 ZINC000011816198 221127125 /nfs/dbraw/zinc/12/71/25/221127125.db2.gz AHSFWYQZCWDSKR-UHFFFAOYSA-N 1 1 381.900 4.000 50 0 GHAAMO CCOc1cc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)ccc1OC(F)F ZINC000011472058 221116047 /nfs/dbraw/zinc/11/60/47/221116047.db2.gz JJSDVDFIZULNJA-UHFFFAOYSA-N 1 1 390.430 3.950 50 0 GHAAMO COc1cccc(CN2C[C@@H]3C[C@@H](c4ccc(F)c(F)c4)[N@H+]4CCC[C@@]34C2=O)c1 ZINC000011662721 221118974 /nfs/dbraw/zinc/11/89/74/221118974.db2.gz WARBWHUXLUZTKW-HYVJGQCMSA-N 1 1 398.453 3.911 50 0 GHAAMO COc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2nc3ccccc3o2)c(OC)c1 ZINC000011664238 221120720 /nfs/dbraw/zinc/12/07/20/221120720.db2.gz ZHYMZDWBOZXOTE-UHFFFAOYSA-N 1 1 378.432 3.867 50 0 GHAAMO COc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2nc3ccccc3o2)c(OC)c1 ZINC000011664238 221120721 /nfs/dbraw/zinc/12/07/21/221120721.db2.gz ZHYMZDWBOZXOTE-UHFFFAOYSA-N 1 1 378.432 3.867 50 0 GHAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)CC(F)(F)F ZINC000012048916 221144789 /nfs/dbraw/zinc/14/47/89/221144789.db2.gz GURVPKKYINENTK-QGZVFWFLSA-N 1 1 386.458 3.751 50 0 GHAAMO O=C(CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCO3)C1)N1CCCC1 ZINC000012094391 221150240 /nfs/dbraw/zinc/15/02/40/221150240.db2.gz QHTHNUYMUIYEIN-HNNXBMFYSA-N 1 1 378.900 3.683 50 0 GHAAMO CCCC[C@H]1C[N@@H+](CCC(=O)NCCc2ccccn2)Cc2ccccc2O1 ZINC000011912591 221136616 /nfs/dbraw/zinc/13/66/16/221136616.db2.gz CGOBJTDCFNXHCP-NRFANRHFSA-N 1 1 381.520 3.584 50 0 GHAAMO O=C(CCc1ccncc1)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000012302216 221177483 /nfs/dbraw/zinc/17/74/83/221177483.db2.gz UUOXRKASSGGJQS-HSZRJFAPSA-N 1 1 399.485 3.807 50 0 GHAAMO O=C(CCc1ccncc1)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000012302216 221177486 /nfs/dbraw/zinc/17/74/86/221177486.db2.gz UUOXRKASSGGJQS-HSZRJFAPSA-N 1 1 399.485 3.807 50 0 GHAAMO CN(C(=O)c1cc2ccccc2n1C)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012304496 221177769 /nfs/dbraw/zinc/17/77/69/221177769.db2.gz TYPJWPNARKNWLR-NRFANRHFSA-N 1 1 387.527 3.882 50 0 GHAAMO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012326658 221182773 /nfs/dbraw/zinc/18/27/73/221182773.db2.gz NBUPWUNXDZAFKX-QUCCMNQESA-N 1 1 391.515 3.705 50 0 GHAAMO O=C(N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)c1cccc(Cn2cccn2)c1 ZINC000012430498 221191696 /nfs/dbraw/zinc/19/16/96/221191696.db2.gz OHQDAQPWRIMVNO-JOCHJYFZSA-N 1 1 380.536 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1 1 385.895 3.533 50 0 GHAAMO CN1CCC([N@H+]2CCC[C@@H](NC(=O)Cc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000015066977 221328994 /nfs/dbraw/zinc/32/89/94/221328994.db2.gz HUDMMEZSKLJXSU-HSZRJFAPSA-N 1 1 391.559 3.571 50 0 GHAAMO C[NH+]1CCC(N2CCC[C@@H](NC(=O)Cc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000015066977 221328996 /nfs/dbraw/zinc/32/89/96/221328996.db2.gz HUDMMEZSKLJXSU-HSZRJFAPSA-N 1 1 391.559 3.571 50 0 GHAAMO COc1ccc2cc(-c3n[nH]cc3C[N@H+]3CCC[C@@H](CNC(C)=O)C3)ccc2c1 ZINC000015073179 221331568 /nfs/dbraw/zinc/33/15/68/221331568.db2.gz GJSPLGQEMCOPBZ-KRWDZBQOSA-N 1 1 392.503 3.587 50 0 GHAAMO COc1ccccc1C[N@@H+]1CCc2nc(Nc3ccc4c(c3)OCO4)ncc2C1 ZINC000015779160 221344789 /nfs/dbraw/zinc/34/47/89/221344789.db2.gz HKGRNPZVPVJAQK-UHFFFAOYSA-N 1 1 390.443 3.516 50 0 GHAAMO COc1ccccc1C[N@H+]1CCc2nc(Nc3ccc4c(c3)OCO4)ncc2C1 ZINC000015779160 221344793 /nfs/dbraw/zinc/34/47/93/221344793.db2.gz HKGRNPZVPVJAQK-UHFFFAOYSA-N 1 1 390.443 3.516 50 0 GHAAMO Cc1ccc([C@H](CNC(=O)c2ccc(Br)o2)[NH+]2CCCCC2)o1 ZINC000015860206 221348609 /nfs/dbraw/zinc/34/86/09/221348609.db2.gz WVQLIXRFZJCPPB-ZDUSSCGKSA-N 1 1 381.270 3.901 50 0 GHAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000016446275 221363743 /nfs/dbraw/zinc/36/37/43/221363743.db2.gz ZVYPGBFBNIPRPB-INIZCTEOSA-N 1 1 381.476 3.618 50 0 GHAAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cc(=O)c4ccccc4[nH]3)C2)cc1F ZINC000019146551 221398668 /nfs/dbraw/zinc/39/86/68/221398668.db2.gz OULGPJZFIXJIOZ-MRXNPFEDSA-N 1 1 394.446 3.771 50 0 GHAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cc(=O)c4ccccc4[nH]3)C2)cc1F ZINC000019146551 221398671 /nfs/dbraw/zinc/39/86/71/221398671.db2.gz OULGPJZFIXJIOZ-MRXNPFEDSA-N 1 1 394.446 3.771 50 0 GHAAMO C[C@@H](CNC(=O)Nc1ccc(N2CCCCC2)nc1)[N@@H+]1CCc2sccc2C1 ZINC000058329244 136155203 /nfs/dbraw/zinc/15/52/03/136155203.db2.gz XARVHMWIUNYUCC-INIZCTEOSA-N 1 1 399.564 3.702 50 0 GHAAMO C[C@@H](CNC(=O)Nc1ccc(N2CCCCC2)nc1)[N@H+]1CCc2sccc2C1 ZINC000058329244 136155204 /nfs/dbraw/zinc/15/52/04/136155204.db2.gz XARVHMWIUNYUCC-INIZCTEOSA-N 1 1 399.564 3.702 50 0 GHAAMO c1cn(Cc2ccccn2)c([C@@H]2CCCN(c3ncnc4ccsc43)C2)[nH+]1 ZINC000095531634 136181863 /nfs/dbraw/zinc/18/18/63/136181863.db2.gz AKZQTIPXINGRNT-OAHLLOKOSA-N 1 1 376.489 3.715 50 0 GHAAMO COc1ccc2oc(=O)cc(C[N@@H+]3CCN(c4cccc(C)c4)[C@H](C)C3)c2c1 ZINC000101806371 136196425 /nfs/dbraw/zinc/19/64/25/136196425.db2.gz LGOBPEXYLJECQF-QGZVFWFLSA-N 1 1 378.472 3.821 50 0 GHAAMO COc1ccc2oc(=O)cc(C[N@H+]3CCN(c4cccc(C)c4)[C@H](C)C3)c2c1 ZINC000101806371 136196426 /nfs/dbraw/zinc/19/64/26/136196426.db2.gz LGOBPEXYLJECQF-QGZVFWFLSA-N 1 1 378.472 3.821 50 0 GHAAMO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cn2c(=O)oc3cc(Cl)ccc32)C1 ZINC000028816997 221684053 /nfs/dbraw/zinc/68/40/53/221684053.db2.gz BEUWQXPVMIISNW-AWEZNQCLSA-N 1 1 385.851 3.556 50 0 GHAAMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cn2c(=O)oc3cc(Cl)ccc32)C1 ZINC000028816997 221684055 /nfs/dbraw/zinc/68/40/55/221684055.db2.gz BEUWQXPVMIISNW-AWEZNQCLSA-N 1 1 385.851 3.556 50 0 GHAAMO Cc1noc2nc(C(C)C)cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000036360878 221855443 /nfs/dbraw/zinc/85/54/43/221855443.db2.gz NCORAYSBPPMCPP-UHFFFAOYSA-N 1 1 378.476 3.613 50 0 GHAAMO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1Cl ZINC000057460508 222033547 /nfs/dbraw/zinc/03/35/47/222033547.db2.gz MFPCXKGNEOPWDG-GFCCVEGCSA-N 1 1 390.274 3.863 50 0 GHAAMO COc1cc2nc(C[NH2+][C@@H](C)c3ccc4c(c3)CCCC4)[nH]c(=O)c2cc1OC ZINC000049581079 222000419 /nfs/dbraw/zinc/00/04/19/222000419.db2.gz ABYBALSPIOXTJY-AWEZNQCLSA-N 1 1 393.487 3.670 50 0 GHAAMO Cc1cc(C)c(C[N@H+](Cc2ccccn2)C[C@@H]2CCCO2)cc1Cn1cncn1 ZINC000055154270 222016080 /nfs/dbraw/zinc/01/60/80/222016080.db2.gz ARQQBZDBBXZZFC-QHCPKHFHSA-N 1 1 391.519 3.519 50 0 GHAAMO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(-c2nc(C3CC3)no2)c1)c1ccco1 ZINC000058307124 222049741 /nfs/dbraw/zinc/04/97/41/222049741.db2.gz RXNJUTPVICLKIW-INIZCTEOSA-N 1 1 381.436 3.631 50 0 GHAAMO CCCc1nn2c(nc(C[N@@H+](CC)Cc3ccc(Cl)cc3)cc2=O)s1 ZINC000064592896 222077002 /nfs/dbraw/zinc/07/70/02/222077002.db2.gz CHVZRBRSGLCYQY-UHFFFAOYSA-N 1 1 376.913 3.779 50 0 GHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968082 222090259 /nfs/dbraw/zinc/09/02/59/222090259.db2.gz KTNACGMDKCWBAA-LJQANCHMSA-N 1 1 377.488 3.827 50 0 GHAAMO O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1O ZINC000065500570 222132224 /nfs/dbraw/zinc/13/22/24/222132224.db2.gz QCKDYLYHBNDTTF-UHFFFAOYSA-N 1 1 378.394 3.805 50 0 GHAAMO C[NH+](C)CC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H]2c1ccccc1C(F)(F)F ZINC000065492167 222132266 /nfs/dbraw/zinc/13/22/66/222132266.db2.gz LRBCKZQHPRSAHQ-OAHLLOKOSA-N 1 1 391.393 3.680 50 0 GHAAMO C[N@H+]1CCC[C@@H]1CCN1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 ZINC000067432423 222147250 /nfs/dbraw/zinc/14/72/50/222147250.db2.gz AZXPXRKXCBFDLH-GOSISDBHSA-N 1 1 387.911 3.786 50 0 GHAAMO CC(C)[N@@H+](C)CC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067769875 222159691 /nfs/dbraw/zinc/15/96/91/222159691.db2.gz CLIMZYAKXRVTME-UHFFFAOYSA-N 1 1 388.895 3.774 50 0 GHAAMO O=C(Nc1nccc2ccccc21)c1cccc(C[N@@H+]2CCC[C@@H](CO)C2)c1 ZINC000067881693 222164704 /nfs/dbraw/zinc/16/47/04/222164704.db2.gz GZFPXXRDTKESCQ-GOSISDBHSA-N 1 1 375.472 3.691 50 0 GHAAMO C[C@@H](C(=O)N1CCCC1)[N@@H+]1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067920702 222166678 /nfs/dbraw/zinc/16/66/78/222166678.db2.gz JUXDORRIGYCAQV-INIZCTEOSA-N 1 1 375.472 3.864 50 0 GHAAMO C[C@@H](C(=O)N1CCCC1)[N@H+]1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067920702 222166681 /nfs/dbraw/zinc/16/66/81/222166681.db2.gz JUXDORRIGYCAQV-INIZCTEOSA-N 1 1 375.472 3.864 50 0 GHAAMO COc1ccc2cc([C@@H]3C[N@H+](Cc4ccccc4OCCO)CCO3)ccc2c1 ZINC000071736280 222187735 /nfs/dbraw/zinc/18/77/35/222187735.db2.gz VIJGWXHAKACVAV-DEOSSOPVSA-N 1 1 393.483 3.793 50 0 GHAAMO COc1ccc2cc([C@@H]3C[N@@H+](Cc4ccccc4OCCO)CCO3)ccc2c1 ZINC000071736280 222187737 /nfs/dbraw/zinc/18/77/37/222187737.db2.gz VIJGWXHAKACVAV-DEOSSOPVSA-N 1 1 393.483 3.793 50 0 GHAAMO COc1ccc(-n2cc(C[N@H+]3CC[C@H](O)C3)c(-c3ccccc3Cl)n2)cc1 ZINC000072419409 222257799 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CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3ccc(C(=O)NC)o3)CC2)C1 ZINC000096180374 222395181 /nfs/dbraw/zinc/39/51/81/222395181.db2.gz BQIPPBLYANFOHA-HXUWFJFHSA-N 1 1 395.547 3.731 50 0 GHAAMO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3ccc(C(=O)NC)o3)CC2)C1 ZINC000096180374 222395183 /nfs/dbraw/zinc/39/51/83/222395183.db2.gz BQIPPBLYANFOHA-HXUWFJFHSA-N 1 1 395.547 3.731 50 0 GHAAMO CCCc1ncncc1C(=O)N1CCC2(C[C@@H](c3ccccc3)C[N@H+]2C)CC1 ZINC000095520475 222345951 /nfs/dbraw/zinc/34/59/51/222345951.db2.gz FXTHAPQNTJTJAG-LJQANCHMSA-N 1 1 378.520 3.523 50 0 GHAAMO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccccc3C)cc2Cl)CC1 ZINC000006241893 529153544 /nfs/dbraw/zinc/15/35/44/529153544.db2.gz ZMTFGZLCRYQKRH-UHFFFAOYSA-N 1 1 387.911 3.808 50 0 GHAAMO CCCOc1ccc2[nH]c(C)c(C[NH+]3CCN(c4ccccc4)CC3)c(=O)c2c1 ZINC000019793732 535283781 /nfs/dbraw/zinc/28/37/81/535283781.db2.gz VIAXEHVOPVHEQF-UHFFFAOYSA-N 1 1 391.515 3.948 50 0 GHAAMO CN1c2ccccc2N(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1=O ZINC000170651951 536481386 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0 GHAAMO Cc1ccccc1NC(=O)C[NH+]1CCC(c2nc(-c3cccs3)no2)CC1 ZINC000049403504 570264670 /nfs/dbraw/zinc/26/46/70/570264670.db2.gz KSJSZJIHPABNIE-UHFFFAOYSA-N 1 1 382.489 3.925 50 0 GHAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](CN4CCCC4=O)C3)c(C)o2)cc1C ZINC000020541023 570266640 /nfs/dbraw/zinc/26/66/40/570266640.db2.gz CDXKJOBGVAKIDG-GOSISDBHSA-N 1 1 397.519 3.801 50 0 GHAAMO CC(C)CN(C)C(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000020541207 570266670 /nfs/dbraw/zinc/26/66/70/570266670.db2.gz SEAUDKKLWKOYBS-UHFFFAOYSA-N 1 1 399.623 3.910 50 0 GHAAMO CC(C)CN(C)C(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000020541207 570266671 /nfs/dbraw/zinc/26/66/71/570266671.db2.gz SEAUDKKLWKOYBS-UHFFFAOYSA-N 1 1 399.623 3.910 50 0 GHAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)N[C@H](C)c2cccc(F)c2)CC1 ZINC000049796777 570272550 /nfs/dbraw/zinc/27/25/50/570272550.db2.gz PEWOBLFMZYHGDH-GOSISDBHSA-N 1 1 398.526 3.524 50 0 GHAAMO C[C@H](Oc1ccccc1)c1[nH]nc2c1C[N@H+](Cc1cccc3nonc31)CC2 ZINC000020783872 570280481 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3.636 50 0 GHAAMO COc1cc(C[N@@H+](C)C[C@H](O)COc2c(C)cccc2C)ccc1OC(F)F ZINC000023408721 570361204 /nfs/dbraw/zinc/36/12/04/570361204.db2.gz QBAURQAZCBDYLU-KRWDZBQOSA-N 1 1 395.446 3.785 50 0 GHAAMO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@@](CO)(Cc2ccc(F)cc2F)C1 ZINC000023582230 570366441 /nfs/dbraw/zinc/36/64/41/570366441.db2.gz SUHKGMYUYILQQL-JOCHJYFZSA-N 1 1 385.458 3.669 50 0 GHAAMO Cn1c2ccccc2nc1C[N@H+]1CCC[C@@](CO)(Cc2ccc(F)cc2F)C1 ZINC000023582230 570366445 /nfs/dbraw/zinc/36/64/45/570366445.db2.gz SUHKGMYUYILQQL-JOCHJYFZSA-N 1 1 385.458 3.669 50 0 GHAAMO CCn1c2ccccc2c2sc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)cc2c1=O ZINC000004939241 570375247 /nfs/dbraw/zinc/37/52/47/570375247.db2.gz KXYKVZWBVDFGER-HNNXBMFYSA-N 1 1 397.544 3.840 50 0 GHAAMO COc1cc2c(cc1OC)C[N@H+](Cc1cc(=O)oc3cc(C)c(C)cc13)CC2 ZINC000025266352 570409761 /nfs/dbraw/zinc/40/97/61/570409761.db2.gz AHVFVMSKSIBYIN-UHFFFAOYSA-N 1 1 379.456 3.985 50 0 GHAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1cc(=O)oc3cc(C)c(C)cc13)CC2 ZINC000025266352 570409763 /nfs/dbraw/zinc/40/97/63/570409763.db2.gz AHVFVMSKSIBYIN-UHFFFAOYSA-N 1 1 379.456 3.985 50 0 GHAAMO C[C@@H]1CCC[N@@H+](CC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC000032951994 570428363 /nfs/dbraw/zinc/42/83/63/570428363.db2.gz GAMKHFVKJDDGCN-CQSZACIVSA-N 1 1 388.936 3.612 50 0 GHAAMO C[N@@H+](CCC(=O)Nc1cccc2ccccc21)C[C@H]1COc2ccccc2O1 ZINC000026922351 570430050 /nfs/dbraw/zinc/43/00/50/570430050.db2.gz WYOIFTLSYLNPCV-SFHVURJKSA-N 1 1 376.456 3.940 50 0 GHAAMO C[N@H+]1CC[C@@H]2CCN(Cc3nc(=O)c4cc(-c5ccccc5)sc4[nH]3)[C@H]2C1 ZINC000240757069 570430846 /nfs/dbraw/zinc/43/08/46/570430846.db2.gz HWCUUHJCJHLCJJ-PBHICJAKSA-N 1 1 380.517 3.590 50 0 GHAAMO COCCN(C[C@@H]1C[N@@H+](Cc2cccs2)C[C@H]1c1ccccc1C)C(C)=O ZINC000248113892 570441361 /nfs/dbraw/zinc/44/13/61/570441361.db2.gz UHOPFZAAOHZVJW-SIKLNZKXSA-N 1 1 386.561 3.767 50 0 GHAAMO COc1ccccc1[C@H](CNC(=O)COc1cc(C)c(Cl)c(C)c1)[NH+](C)C ZINC000027989931 570447891 /nfs/dbraw/zinc/44/78/91/570447891.db2.gz MCADGRRTDDTVKF-SFHVURJKSA-N 1 1 390.911 3.763 50 0 GHAAMO CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000127092994 570456780 /nfs/dbraw/zinc/45/67/80/570456780.db2.gz ONGDEXWRGRTQFA-HNNXBMFYSA-N 1 1 395.532 3.658 50 0 GHAAMO COc1ccc(OC[C@@H](O)C[N@H+](Cc2ccco2)Cc2ccc(F)cc2)cc1 ZINC000028580906 570461634 /nfs/dbraw/zinc/46/16/34/570461634.db2.gz CCJMMUIWDDVQHQ-IBGZPJMESA-N 1 1 385.435 3.869 50 0 GHAAMO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccco2)Cc2ccc(F)cc2)cc1 ZINC000028580906 570461636 /nfs/dbraw/zinc/46/16/36/570461636.db2.gz CCJMMUIWDDVQHQ-IBGZPJMESA-N 1 1 385.435 3.869 50 0 GHAAMO C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000029051054 570467653 /nfs/dbraw/zinc/46/76/53/570467653.db2.gz JPRVAQFGHIJYMS-QRWLVFNGSA-N 1 1 397.906 3.574 50 0 GHAAMO Cc1ccc(Br)cc1NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000072295053 570500977 /nfs/dbraw/zinc/50/09/77/570500977.db2.gz TVPPPPDLSLODHU-YSVLISHTSA-N 1 1 378.314 3.706 50 0 GHAAMO COCC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2Nc2cccc(C)c2C)C1 ZINC000078757274 570509546 /nfs/dbraw/zinc/50/95/46/570509546.db2.gz ORZNORDTOPZARC-IBGZPJMESA-N 1 1 381.520 3.745 50 0 GHAAMO Cc1ccn2c(c1)nnc2C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000225454370 570575853 /nfs/dbraw/zinc/57/58/53/570575853.db2.gz LDTDOPDREASDJV-UHFFFAOYSA-N 1 1 383.883 3.509 50 0 GHAAMO Cc1cnccc1CNC(=O)C1([N@@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000039500817 570592609 /nfs/dbraw/zinc/59/26/09/570592609.db2.gz GONYJNVEOFNDGU-UHFFFAOYSA-N 1 1 385.511 3.676 50 0 GHAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)Cc1cnc(C2OCCO2)s1 ZINC000225638711 570597123 /nfs/dbraw/zinc/59/71/23/570597123.db2.gz ZMEFNZHHUDLTBO-LPHOPBHVSA-N 1 1 387.549 3.531 50 0 GHAAMO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[NH+]1CCCCC1)C[C@H](C)CC2 ZINC000003345262 570605624 /nfs/dbraw/zinc/60/56/24/570605624.db2.gz YNLGXYAZMOHRJF-KGLIPLIRSA-N 1 1 378.538 3.863 50 0 GHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1ncc2c1-c1cc(C)ccc1OC2 ZINC000006819534 570621702 /nfs/dbraw/zinc/62/17/02/570621702.db2.gz JKSIJANZJIRSJY-IBGZPJMESA-N 1 1 396.535 3.522 50 0 GHAAMO COc1ccc(C)cc1NC(=O)N1CCC[C@H]([N@@H+](C)CCc2ccccn2)C1 ZINC000012449538 570668184 /nfs/dbraw/zinc/66/81/84/570668184.db2.gz UZJSPXITJLGFIY-IBGZPJMESA-N 1 1 382.508 3.569 50 0 GHAAMO C[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccc(Cl)cc1 ZINC000006881393 570676596 /nfs/dbraw/zinc/67/65/96/570676596.db2.gz FSSZAZPQVADYQC-UHFFFAOYSA-N 1 1 390.274 3.645 50 0 GHAAMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccc(Cl)cc1 ZINC000006881393 570676599 /nfs/dbraw/zinc/67/65/99/570676599.db2.gz FSSZAZPQVADYQC-UHFFFAOYSA-N 1 1 390.274 3.645 50 0 GHAAMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1c(C)n(CC(N)=O)c2ccccc12 ZINC000055074059 570681965 /nfs/dbraw/zinc/68/19/65/570681965.db2.gz MYGWNMOCLZTOSS-INIZCTEOSA-N 1 1 379.504 3.507 50 0 GHAAMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc3c(c2)OCO3)cc1Cl ZINC000015029543 570719146 /nfs/dbraw/zinc/71/91/46/570719146.db2.gz AHLKFHPBFMSCNP-LBPRGKRZSA-N 1 1 376.840 3.536 50 0 GHAAMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc3c(c2)OCO3)cc1Cl 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1 1 395.425 3.987 50 0 GHAAMO COc1ccc(CC(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)cc1 ZINC000033318329 570973745 /nfs/dbraw/zinc/97/37/45/570973745.db2.gz CTLUHVOOLGHDKM-UHFFFAOYSA-N 1 1 391.475 3.784 50 0 GHAAMO COc1ccc(CC(=O)Nc2ccc(Nc3cc(N(C)C)[nH+]c(C)n3)cc2)cc1 ZINC000033318329 570973750 /nfs/dbraw/zinc/97/37/50/570973750.db2.gz CTLUHVOOLGHDKM-UHFFFAOYSA-N 1 1 391.475 3.784 50 0 GHAAMO O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)C1CC[NH+](CC2CC2)CC1 ZINC000084398252 571017411 /nfs/dbraw/zinc/01/74/11/571017411.db2.gz FARZCMFMJPBMII-UHFFFAOYSA-N 1 1 389.971 3.543 50 0 GHAAMO CN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@@H]2Nc1nc(N)cc[nH+]1 ZINC000091624995 571019062 /nfs/dbraw/zinc/01/90/62/571019062.db2.gz WLNOTXFCSVKEPS-KRWDZBQOSA-N 1 1 389.507 3.611 50 0 GHAAMO CCc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012779876 571033066 /nfs/dbraw/zinc/03/30/66/571033066.db2.gz QLGNZJSSDPASOR-OAQYLSRUSA-N 1 1 394.515 3.816 50 0 GHAAMO CCc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 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XRTDMIKSPRJFHP-OAQYLSRUSA-N 1 1 390.491 3.772 50 0 GHAAMO CCc1[nH+]ccn1CCCNC(=O)c1ccc(-c2ccc3c(c2)OCC3)cc1 ZINC000584897804 841182832 /nfs/dbraw/zinc/18/28/32/841182832.db2.gz DISZKOVSDAVEIU-UHFFFAOYSA-N 1 1 375.472 3.868 50 0 GHAAMO O=C(Cc1cccs1)N1CCC([N@H+]2CCC[C@@H]2COCc2ccccc2)CC1 ZINC000225630645 861228130 /nfs/dbraw/zinc/22/81/30/861228130.db2.gz QKBPKHXDXXGJDG-OAQYLSRUSA-N 1 1 398.572 3.963 50 0 GHAAMO COc1ccc(-c2n[nH]cc2CN2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000104466362 841684255 /nfs/dbraw/zinc/68/42/55/841684255.db2.gz QRZOCRGUNLWBQA-NRFANRHFSA-N 1 1 392.503 3.583 50 0 GHAAMO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCN(C)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000104466362 841684261 /nfs/dbraw/zinc/68/42/61/841684261.db2.gz QRZOCRGUNLWBQA-NRFANRHFSA-N 1 1 392.503 3.583 50 0 GHAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCN(C)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000104466362 841684268 /nfs/dbraw/zinc/68/42/68/841684268.db2.gz QRZOCRGUNLWBQA-NRFANRHFSA-N 1 1 392.503 3.583 50 0 GHAAMO O=C(NC1CCCCC1)NC1CC[NH+](Cc2cnc(-c3ccco3)s2)CC1 ZINC000194356003 847025506 /nfs/dbraw/zinc/02/55/06/847025506.db2.gz VZAAKKZIERZJIU-UHFFFAOYSA-N 1 1 388.537 3.999 50 0 GHAAMO C[C@H](C(=O)Nc1ccccc1)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000003426518 862401811 /nfs/dbraw/zinc/40/18/11/862401811.db2.gz BAFGJGITHRQTCJ-CQSZACIVSA-N 1 1 377.282 3.787 50 0 GHAAMO C[C@H](C(=O)Nc1ccccc1)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000003426518 862401825 /nfs/dbraw/zinc/40/18/25/862401825.db2.gz BAFGJGITHRQTCJ-CQSZACIVSA-N 1 1 377.282 3.787 50 0 GHAAMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000583070399 855573358 /nfs/dbraw/zinc/57/33/58/855573358.db2.gz BGGMHQUQIQWISV-UJDVCPFMSA-N 1 1 381.398 3.909 50 0 GHAAMO CCC[NH+](CCC)CN1C(=O)S/C(=C/c2ccc(C(=O)OC)cc2)C1=O ZINC000027519506 856368700 /nfs/dbraw/zinc/36/87/00/856368700.db2.gz RAWLNRIISAESHC-FOWTUZBSSA-N 1 1 376.478 3.589 50 0 GHAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C[C@H](C)c2ccccc2)CC1 ZINC000040107969 856665482 /nfs/dbraw/zinc/66/54/82/856665482.db2.gz LBBPQOBGENWNJG-FQEVSTJZSA-N 1 1 379.548 3.634 50 0 GHAAMO CCc1nc(C[NH+]2CCC(CNC(=O)Nc3nc(C)c(C)s3)CC2)cs1 ZINC000171815080 862828363 /nfs/dbraw/zinc/82/83/63/862828363.db2.gz OFOFXHPKGCPDIW-UHFFFAOYSA-N 1 1 393.582 3.813 50 0 GHAAMO C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000245225212 856745415 /nfs/dbraw/zinc/74/54/15/856745415.db2.gz PVPLCQFSDIZFKO-CVEARBPZSA-N 1 1 385.533 3.880 50 0 GHAAMO COc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccc(SC)c3)C2)cc1 ZINC000011663108 856870986 /nfs/dbraw/zinc/87/09/86/856870986.db2.gz QHIUGJTYWJIPDU-FQEVSTJZSA-N 1 1 398.572 3.988 50 0 GHAAMO Cc1noc(C)c1C[N@@H+]1CCC[C@@H](COc2ccccc2C(=O)NC(C)C)C1 ZINC000169749160 857980534 /nfs/dbraw/zinc/98/05/34/857980534.db2.gz RIYCKVGRSWBYDP-GOSISDBHSA-N 1 1 385.508 3.721 50 0 GHAAMO O=C(NCC[N@H+]1CCC[C@H](c2ccccc2)C1)c1cc(-c2ccccc2)no1 ZINC000670464658 862976988 /nfs/dbraw/zinc/97/69/88/862976988.db2.gz VXYIQNJTNRPJAB-FQEVSTJZSA-N 1 1 375.472 3.951 50 0 GHAAMO Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CCCN(c4ccccn4)CC3)n2)cc1F ZINC000183775041 858799306 /nfs/dbraw/zinc/79/93/06/858799306.db2.gz YZYFWJDJUXJRCH-MRXNPFEDSA-N 1 1 381.455 3.852 50 0 GHAAMO Cc1ccc(-c2noc([C@@H](C)[N@H+]3CCCN(c4ccccn4)CC3)n2)cc1F ZINC000183775041 858799309 /nfs/dbraw/zinc/79/93/09/858799309.db2.gz YZYFWJDJUXJRCH-MRXNPFEDSA-N 1 1 381.455 3.852 50 0 GHAAMO O=C(c1ccncc1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(F)c(F)c(F)c2)C1 ZINC000012244368 859484747 /nfs/dbraw/zinc/48/47/47/859484747.db2.gz NSTWTYPTRWIFCK-VQIMIIECSA-N 1 1 389.421 3.626 50 0 GHAAMO O=C(c1ccncc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(F)c(F)c(F)c2)C1 ZINC000012244368 859484751 /nfs/dbraw/zinc/48/47/51/859484751.db2.gz NSTWTYPTRWIFCK-VQIMIIECSA-N 1 1 389.421 3.626 50 0 GHAAMO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)no3)CCNC(=O)CC2)c1 ZINC000257179283 859509157 /nfs/dbraw/zinc/50/91/57/859509157.db2.gz IIJWHZSWDWQLRF-LJQANCHMSA-N 1 1 384.524 3.777 50 0 GHAAMO O=C1c2cc[nH]c2CC[C@@H]1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 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390.455 3.878 50 0 GHAAMO CCn1ccnc1C[N@@H+]1CCC[C@H](CCC(=O)NCc2ccccc2Cl)C1 ZINC000011817725 221127623 /nfs/dbraw/zinc/12/76/23/221127623.db2.gz ZBXVYVCFUPLKSP-QGZVFWFLSA-N 1 1 388.943 3.865 50 0 GHAAMO CCn1ccnc1C[N@H+]1CCC[C@H](CCC(=O)NCc2ccccc2Cl)C1 ZINC000011817725 221127626 /nfs/dbraw/zinc/12/76/26/221127626.db2.gz ZBXVYVCFUPLKSP-QGZVFWFLSA-N 1 1 388.943 3.865 50 0 GHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000011664793 221120603 /nfs/dbraw/zinc/12/06/03/221120603.db2.gz PWNPIDLCWGFYRS-GOSISDBHSA-N 1 1 380.536 3.622 50 0 GHAAMO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000011664793 221120606 /nfs/dbraw/zinc/12/06/06/221120606.db2.gz PWNPIDLCWGFYRS-GOSISDBHSA-N 1 1 380.536 3.622 50 0 GHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000011664793 221120608 /nfs/dbraw/zinc/12/06/08/221120608.db2.gz PWNPIDLCWGFYRS-GOSISDBHSA-N 1 1 380.536 3.622 50 0 GHAAMO COc1ccc(/C=C/C(=O)N(C)[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1 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GHAAMO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@@H+](Cc2cn(CC)nc2C)C1 ZINC000012597317 221212331 /nfs/dbraw/zinc/21/23/31/221212331.db2.gz LRILNTNQNAYCDF-QHCPKHFHSA-N 1 1 399.535 3.826 50 0 GHAAMO C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)[C@@H]1CCOC1 ZINC000012596739 221212666 /nfs/dbraw/zinc/21/26/66/221212666.db2.gz GFIIVVGTPBZRNW-HXUWFJFHSA-N 1 1 391.471 3.548 50 0 GHAAMO CC[N@H+](CCn1cccn1)Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C ZINC000012709671 221220002 /nfs/dbraw/zinc/22/00/02/221220002.db2.gz MAUNBRZHYNWVSS-UHFFFAOYSA-N 1 1 388.855 3.751 50 0 GHAAMO CC[N@@H+](CCn1cccn1)Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C ZINC000012709671 221220005 /nfs/dbraw/zinc/22/00/05/221220005.db2.gz MAUNBRZHYNWVSS-UHFFFAOYSA-N 1 1 388.855 3.751 50 0 GHAAMO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2N2CCOCC2)c(C)c1 ZINC000012733671 221222895 /nfs/dbraw/zinc/22/28/95/221222895.db2.gz OOAIIQJHCBSOGA-LJQANCHMSA-N 1 1 381.520 3.599 50 0 GHAAMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2N2CCOCC2)c(C)c1 ZINC000012733671 221222899 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QHRYYIWWVCYYGL-MTQWCTHYSA-N 1 1 378.497 3.733 50 0 GHAAMO CC(=O)c1[nH]c(C)c(C(=O)N(C)[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c1C ZINC000014956896 221320402 /nfs/dbraw/zinc/32/04/02/221320402.db2.gz NZRKZRONEQCBHG-HXUWFJFHSA-N 1 1 393.531 3.538 50 0 GHAAMO O=C1CC[N@@H+](CC(c2ccccc2)c2ccccc2)CCN1Cc1ccncc1 ZINC000014978637 221324070 /nfs/dbraw/zinc/32/40/70/221324070.db2.gz JDLQAMVUQVVMLT-UHFFFAOYSA-N 1 1 385.511 3.948 50 0 GHAAMO CC[C@@H]1C[N@@H+](CCC(=O)NCCc2ccco2)Cc2ccc(Cl)cc2O1 ZINC000015007692 221326698 /nfs/dbraw/zinc/32/66/98/221326698.db2.gz MEYKXGAXMFPVMT-QGZVFWFLSA-N 1 1 376.884 3.655 50 0 GHAAMO CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000015064754 221327830 /nfs/dbraw/zinc/32/78/30/221327830.db2.gz CXEJOYDLCSDQSG-MRXNPFEDSA-N 1 1 382.426 3.611 50 0 GHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000015681225 221340384 /nfs/dbraw/zinc/34/03/84/221340384.db2.gz HCSJUHWHDRFQPO-LJQANCHMSA-N 1 1 391.519 3.657 50 0 GHAAMO CCCCCOc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCOCC2)cc1 ZINC000015831571 221347000 /nfs/dbraw/zinc/34/70/00/221347000.db2.gz ZXRYVNZKYAATAV-OAQYLSRUSA-N 1 1 388.552 3.973 50 0 GHAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000016446274 221362970 /nfs/dbraw/zinc/36/29/70/221362970.db2.gz ZVYPGBFBNIPRPB-MRXNPFEDSA-N 1 1 381.476 3.618 50 0 GHAAMO O=C1C[C@@H]([NH+]2CCC(CCc3ccccc3F)CC2)C(=O)N1c1ccc(F)cc1 ZINC000018218014 221389825 /nfs/dbraw/zinc/38/98/25/221389825.db2.gz XLDZHNJQBGAPOB-OAQYLSRUSA-N 1 1 398.453 3.942 50 0 GHAAMO FC(F)(F)c1ccc(N2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)nc1 ZINC000019835053 221457106 /nfs/dbraw/zinc/45/71/06/221457106.db2.gz ZNUXYXNAZIDROB-UHFFFAOYSA-N 1 1 387.409 3.813 50 0 GHAAMO OCC1(Cc2cccc(C(F)(F)F)c2)CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000067789589 136164921 /nfs/dbraw/zinc/16/49/21/136164921.db2.gz GRDWRLVNFZXJPJ-UHFFFAOYSA-N 1 1 390.409 3.798 50 0 GHAAMO c1cc([C@H]2CCCCO2)oc1C[N@H+]1CCCC12CCN(c1ncccn1)CC2 ZINC000072428640 136170000 /nfs/dbraw/zinc/17/00/00/136170000.db2.gz CSLXYUWHVPMBGP-LJQANCHMSA-N 1 1 382.508 3.946 50 0 GHAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(c1ccc3cccc(Cl)c3n1)CC2 ZINC000092080918 136177605 /nfs/dbraw/zinc/17/76/05/136177605.db2.gz KFYUJVAKBRJXDO-UHFFFAOYSA-N 1 1 381.911 3.985 50 0 GHAAMO COc1ccc(OCC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000036398539 221857925 /nfs/dbraw/zinc/85/79/25/221857925.db2.gz MYRJGKIMFAEXFL-GOSISDBHSA-N 1 1 382.504 3.622 50 0 GHAAMO CC(=O)Oc1c(C)cc(OC[C@H](O)C[N@@H+](C)CCCc2ccccc2)c(C)c1C ZINC000043190963 221949384 /nfs/dbraw/zinc/94/93/84/221949384.db2.gz AILWDFXLBVZFGF-JOCHJYFZSA-N 1 1 399.531 3.841 50 0 GHAAMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)c3cccnc23)cc1 ZINC000052715193 222006341 /nfs/dbraw/zinc/00/63/41/222006341.db2.gz AACZXJAFSYDGHF-FQEVSTJZSA-N 1 1 379.435 3.986 50 0 GHAAMO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)c3cccnc23)cc1 ZINC000052715193 222006342 /nfs/dbraw/zinc/00/63/42/222006342.db2.gz AACZXJAFSYDGHF-FQEVSTJZSA-N 1 1 379.435 3.986 50 0 GHAAMO COc1ccc([C@H]2CCCCC[N@@H+]2CN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000058160788 222042319 /nfs/dbraw/zinc/04/23/19/222042319.db2.gz QBJWZVKDMFOPFJ-LJQANCHMSA-N 1 1 385.508 3.825 50 0 GHAAMO COc1ccc([C@H]2CCCCC[N@H+]2CN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000058160788 222042320 /nfs/dbraw/zinc/04/23/20/222042320.db2.gz QBJWZVKDMFOPFJ-LJQANCHMSA-N 1 1 385.508 3.825 50 0 GHAAMO CCCN(C(=O)c1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058209370 222045195 /nfs/dbraw/zinc/04/51/95/222045195.db2.gz MLYXZDQYTGPOSY-FQEVSTJZSA-N 1 1 380.488 3.932 50 0 GHAAMO CCc1cccc(C)c1NC(=O)CC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000065384027 222126900 /nfs/dbraw/zinc/12/69/00/222126900.db2.gz PWSXWPUZUJHRJH-LJQANCHMSA-N 1 1 391.519 3.808 50 0 GHAAMO CCNc1cc(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)[nH+]c(C)n1 ZINC000067603426 222148798 /nfs/dbraw/zinc/14/87/98/222148798.db2.gz LMRAIBPNONVFQO-UHFFFAOYSA-N 1 1 390.491 3.724 50 0 GHAAMO CC[N@@H+](C)[C@@H](C)C(=O)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000067713745 222155588 /nfs/dbraw/zinc/15/55/88/222155588.db2.gz XEYIZQISIKSZPF-LBPRGKRZSA-N 1 1 381.398 3.585 50 0 GHAAMO CC(C)NC(=O)CC[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067850883 222162815 /nfs/dbraw/zinc/16/28/15/222162815.db2.gz ZUXBVECIOWWTSQ-UHFFFAOYSA-N 1 1 388.895 3.822 50 0 GHAAMO CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC000067854749 222163687 /nfs/dbraw/zinc/16/36/87/222163687.db2.gz PRBOYRYYJXPDCO-QFIPXVFZSA-N 1 1 375.520 3.958 50 0 GHAAMO CCN(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000067854749 222163691 /nfs/dbraw/zinc/16/36/91/222163691.db2.gz PRBOYRYYJXPDCO-QFIPXVFZSA-N 1 1 375.520 3.958 50 0 GHAAMO CCN(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000067854749 222163697 /nfs/dbraw/zinc/16/36/97/222163697.db2.gz PRBOYRYYJXPDCO-QFIPXVFZSA-N 1 1 375.520 3.958 50 0 GHAAMO CCNC(=O)CC[N@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067856514 222164262 /nfs/dbraw/zinc/16/42/62/222164262.db2.gz UOJXJHJJBMRXLN-UHFFFAOYSA-N 1 1 375.472 3.893 50 0 GHAAMO CC(C)c1ccc(CN2CCC[C@@](O)(C[N@@H+](C)Cc3ccccc3)C2=O)cc1 ZINC000067909766 222166977 /nfs/dbraw/zinc/16/69/77/222166977.db2.gz YVQXMZKIPPYHAV-XMMPIXPASA-N 1 1 380.532 3.796 50 0 GHAAMO Cc1ccc(-c2[nH]c(CNC(=O)[C@@H]3CCC[C@H]([NH3+])C3)nc2-c2ccccn2)cc1 ZINC000067983482 222171448 /nfs/dbraw/zinc/17/14/48/222171448.db2.gz HXPJDZZEVJOPFT-MSOLQXFVSA-N 1 1 389.503 3.581 50 0 GHAAMO C[C@](O)(C[NH+]1CCN(CCc2cccs2)CC1)c1cccc(C(F)(F)F)c1 ZINC000069930305 222175488 /nfs/dbraw/zinc/17/54/88/222175488.db2.gz AZZJZOFZQUTBBZ-IBGZPJMESA-N 1 1 398.494 3.835 50 0 GHAAMO CC(=O)Nc1cccc(NC(=O)C[NH+]2CCC(COCc3ccccc3)CC2)c1 ZINC000070655720 222176883 /nfs/dbraw/zinc/17/68/83/222176883.db2.gz SXZNYNXTNSMKPG-UHFFFAOYSA-N 1 1 395.503 3.512 50 0 GHAAMO CCC1(NC(=O)[C@H]2CCC[N@H+](C3CCN(c4nc5ccccc5o4)CC3)C2)CC1 ZINC000071745310 222187211 /nfs/dbraw/zinc/18/72/11/222187211.db2.gz WOOCPGOYMVDFBL-KRWDZBQOSA-N 1 1 396.535 3.567 50 0 GHAAMO CC(C)[C@H]1CN(C(=O)CCCn2cccn2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071751397 222192622 /nfs/dbraw/zinc/19/26/22/222192622.db2.gz UQTSHISSGJHMJM-OAQYLSRUSA-N 1 1 386.515 3.562 50 0 GHAAMO CC[N@@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)[C@@H](COC)Cc1ccccc1 ZINC000072309411 222222748 /nfs/dbraw/zinc/22/27/48/222222748.db2.gz HLUVOIVJRZHQFA-GOSISDBHSA-N 1 1 395.459 3.545 50 0 GHAAMO Cc1ccc2nc(-c3ccc(F)cc3)c(C[N@@H+]3CCO[C@H](CCO)C3)cc2c1 ZINC000072479829 222267641 /nfs/dbraw/zinc/26/76/41/222267641.db2.gz ANTZGINWTGUJCM-OAQYLSRUSA-N 1 1 380.463 3.933 50 0 GHAAMO Cc1ccc2nc(-c3ccc(F)cc3)c(C[N@H+]3CCO[C@H](CCO)C3)cc2c1 ZINC000072479829 222267646 /nfs/dbraw/zinc/26/76/46/222267646.db2.gz ANTZGINWTGUJCM-OAQYLSRUSA-N 1 1 380.463 3.933 50 0 GHAAMO O=C1CC[N@H+](Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)CCN1 ZINC000072422324 222258065 /nfs/dbraw/zinc/25/80/65/222258065.db2.gz XDIPGPZQJVAKQC-UHFFFAOYSA-N 1 1 398.869 3.654 50 0 GHAAMO O=C1CC[N@@H+](Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)CCN1 ZINC000072422324 222258068 /nfs/dbraw/zinc/25/80/68/222258068.db2.gz XDIPGPZQJVAKQC-UHFFFAOYSA-N 1 1 398.869 3.654 50 0 GHAAMO Cn1cc(C[NH+]2CC(N3CCOCC3)C2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000072425122 222258916 /nfs/dbraw/zinc/25/89/16/222258916.db2.gz NXRRIRBTYBULKJ-UHFFFAOYSA-N 1 1 394.563 3.651 50 0 GHAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000072433812 222260893 /nfs/dbraw/zinc/26/08/93/222260893.db2.gz SNUFAGGGOFDGNU-OAQYLSRUSA-N 1 1 375.472 3.669 50 0 GHAAMO Cc1ccc2cc(C[N@@H+]3C[C@H](CO)C[C@H](CO)C3)c(-c3cccs3)nc2c1 ZINC000072436405 222261474 /nfs/dbraw/zinc/26/14/74/222261474.db2.gz CENKOPFAOKVPNH-CALCHBBNSA-N 1 1 382.529 3.694 50 0 GHAAMO CC(C)(O)CCc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000072474795 222264523 /nfs/dbraw/zinc/26/45/23/222264523.db2.gz QAEFMVHYVMOFFP-LJQANCHMSA-N 1 1 386.561 3.846 50 0 GHAAMO C[N@@H+](CCCn1ccnc1)CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000089346157 222327996 /nfs/dbraw/zinc/32/79/96/222327996.db2.gz WFNRDJFIDABZLX-UHFFFAOYSA-N 1 1 386.515 3.706 50 0 GHAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3cccnc3N)C2)c(C)c1 ZINC000095499392 222334442 /nfs/dbraw/zinc/33/44/42/222334442.db2.gz NMAITBKYLCMRAT-QGZVFWFLSA-N 1 1 382.508 3.612 50 0 GHAAMO OCC[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)CCN1Cc1ccsc1 ZINC000095501926 222334567 /nfs/dbraw/zinc/33/45/67/222334567.db2.gz DDZCVCWGMQFCDU-LJQANCHMSA-N 1 1 399.585 3.940 50 0 GHAAMO OCC[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CCN1Cc1ccsc1 ZINC000095501926 222334569 /nfs/dbraw/zinc/33/45/69/222334569.db2.gz DDZCVCWGMQFCDU-LJQANCHMSA-N 1 1 399.585 3.940 50 0 GHAAMO CCCOCC[NH+]1CCN(C(=O)Nc2cccc(Cc3ccccc3)c2)CC1 ZINC000095510230 222341437 /nfs/dbraw/zinc/34/14/37/222341437.db2.gz LTPOXFBITWACEI-UHFFFAOYSA-N 1 1 381.520 3.854 50 0 GHAAMO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(Cn2nc(C)cc2C)CC1 ZINC000077099450 222272235 /nfs/dbraw/zinc/27/22/35/222272235.db2.gz KEZBLWPXSXCPIF-UHFFFAOYSA-N 1 1 390.915 3.513 50 0 GHAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1ccc(OC)o1 ZINC000095518870 222343465 /nfs/dbraw/zinc/34/34/65/222343465.db2.gz ZJBRVBUQGHSEOF-SFHVURJKSA-N 1 1 388.483 3.844 50 0 GHAAMO O=C(CCC[N@H+]1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1)c1ccc(F)cc1 ZINC000077565338 222284667 /nfs/dbraw/zinc/28/46/67/222284667.db2.gz IPEJULNKPWGUGH-QHCPKHFHSA-N 1 1 386.511 3.903 50 0 GHAAMO OCCOc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3Cc3ccccc3)C2)c1 ZINC000082109753 222307981 /nfs/dbraw/zinc/30/79/81/222307981.db2.gz QBEPIOGNZFQILO-OAQYLSRUSA-N 1 1 391.515 3.751 50 0 GHAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)C(=O)c3cc(C)n(C)c3C)C2)cc1 ZINC000095526294 222350253 /nfs/dbraw/zinc/35/02/53/222350253.db2.gz QWOICHLEYQNIBL-OAQYLSRUSA-N 1 1 397.563 3.677 50 0 GHAAMO CCOC(=O)CCN1CCC([NH2+][C@H](c2ccccc2)c2ccccc2OC)CC1 ZINC000095986468 222369051 /nfs/dbraw/zinc/36/90/51/222369051.db2.gz FDENVDXISMMRBZ-XMMPIXPASA-N 1 1 396.531 3.792 50 0 GHAAMO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4C[N@@H+](C)CCO)cc(=O)oc2c1C ZINC000096114531 222382330 /nfs/dbraw/zinc/38/23/30/222382330.db2.gz HEBYAWDJYZVZEP-UHFFFAOYSA-N 1 1 392.455 3.951 50 0 biogenic GHAAMO CSc1ccc(C[N@H+]2CCC[C@H](c3nnc(CN4CCCC4)n3C)C2)cc1 ZINC000426514905 534206052 /nfs/dbraw/zinc/20/60/52/534206052.db2.gz SIGQABTXJQIPRI-SFHVURJKSA-N 1 1 385.581 3.512 50 0 GHAAMO CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](CNCc2cccc(O)c2)C[C@@]1(C)CO ZINC000019838663 570224318 /nfs/dbraw/zinc/22/43/18/570224318.db2.gz NYSRRDYDQNEYTH-COPCDDAFSA-N 1 1 388.939 3.969 50 0 GHAAMO CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](CNCc2cccc(O)c2)C[C@@]1(C)CO ZINC000019838663 570224319 /nfs/dbraw/zinc/22/43/19/570224319.db2.gz NYSRRDYDQNEYTH-COPCDDAFSA-N 1 1 388.939 3.969 50 0 GHAAMO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CNCCC[NH+]1CCCCCC1 ZINC000006051590 570228687 /nfs/dbraw/zinc/22/86/87/570228687.db2.gz JZHJFEGGFAIVOW-NRFANRHFSA-N 1 1 376.585 3.888 50 0 GHAAMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 ZINC000096318721 570228971 /nfs/dbraw/zinc/22/89/71/570228971.db2.gz DHNBZPCXCRPQPE-GOSISDBHSA-N 1 1 389.927 3.897 50 0 GHAAMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 ZINC000096318721 570228974 /nfs/dbraw/zinc/22/89/74/570228974.db2.gz DHNBZPCXCRPQPE-GOSISDBHSA-N 1 1 389.927 3.897 50 0 GHAAMO CCCCC[N@@H+](Cc1nnc2n1c1ccsc1c(=O)n2C)[C@H](C)CCC ZINC000048341114 570239636 /nfs/dbraw/zinc/23/96/36/570239636.db2.gz HSGNSZZZKVZKIS-CQSZACIVSA-N 1 1 375.542 3.824 50 0 GHAAMO Cc1cc(C)n(-c2ccccc2NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000048362449 570244347 /nfs/dbraw/zinc/24/43/47/570244347.db2.gz YFXKQGHFAGYWTN-FQEVSTJZSA-N 1 1 389.503 3.885 50 0 GHAAMO OCC[C@H]1CN(Cc2cnc(-c3ccccc3)s2)CC[N@@H+]1Cc1cccs1 ZINC000020351476 570252615 /nfs/dbraw/zinc/25/26/15/570252615.db2.gz QJAILLQEGIFLNU-SFHVURJKSA-N 1 1 399.585 3.940 50 0 GHAAMO OCC[C@H]1CN(Cc2cnc(-c3ccccc3)s2)CC[N@H+]1Cc1cccs1 ZINC000020351476 570252618 /nfs/dbraw/zinc/25/26/18/570252618.db2.gz QJAILLQEGIFLNU-SFHVURJKSA-N 1 1 399.585 3.940 50 0 GHAAMO Cc1ccccc1C[N@H+]1CCN(Cc2ccc3ncccc3c2)C[C@H]1CCO ZINC000104643036 570255682 /nfs/dbraw/zinc/25/56/82/570255682.db2.gz IKSRIHGBUQLPDH-HSZRJFAPSA-N 1 1 375.516 3.612 50 0 GHAAMO Cc1ccccc1CN1CC[N@H+](Cc2ccc3ncccc3c2)C[C@H]1CCO ZINC000104643036 570255686 /nfs/dbraw/zinc/25/56/86/570255686.db2.gz IKSRIHGBUQLPDH-HSZRJFAPSA-N 1 1 375.516 3.612 50 0 GHAAMO CC(C)c1cc(NCCC[NH+]2CCOCC2)n2ncc(-c3ccccc3)c2n1 ZINC000020546677 570267080 /nfs/dbraw/zinc/26/70/80/570267080.db2.gz IVZZZQSHWVPFPA-UHFFFAOYSA-N 1 1 379.508 3.654 50 0 GHAAMO CCCn1cc(C[N@@H+]2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)c(C)n1 ZINC000020781096 570280465 /nfs/dbraw/zinc/28/04/65/570280465.db2.gz IBXGIGDNXCMJOL-QHCPKHFHSA-N 1 1 399.558 3.527 50 0 GHAAMO CCCn1cc(C[N@H+]2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)c(C)n1 ZINC000020781096 570280467 /nfs/dbraw/zinc/28/04/67/570280467.db2.gz IBXGIGDNXCMJOL-QHCPKHFHSA-N 1 1 399.558 3.527 50 0 GHAAMO CN(CCc1ccccn1)C(=O)CC[C@@H]1CCC[N@@H+](C/C=C/c2ccco2)C1 ZINC000020782235 570280507 /nfs/dbraw/zinc/28/05/07/570280507.db2.gz FUVMAEHPVRWMAY-MRSBXDGLSA-N 1 1 381.520 3.881 50 0 GHAAMO CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)CC1 ZINC000020907533 570284067 /nfs/dbraw/zinc/28/40/67/570284067.db2.gz BLUWYBQSHFDBGR-HXUWFJFHSA-N 1 1 390.527 3.844 50 0 GHAAMO CC(=O)Nc1ccc2nc(C[N@H+](C)Cc3cc(-c4ccncc4)no3)ccc2c1 ZINC000215941954 570293576 /nfs/dbraw/zinc/29/35/76/570293576.db2.gz ZUKVNDAQXOKBNU-UHFFFAOYSA-N 1 1 387.443 3.875 50 0 GHAAMO CC(=O)Nc1ccc2nc(C[N@@H+](C)Cc3cc(-c4ccncc4)no3)ccc2c1 ZINC000215941954 570293578 /nfs/dbraw/zinc/29/35/78/570293578.db2.gz ZUKVNDAQXOKBNU-UHFFFAOYSA-N 1 1 387.443 3.875 50 0 GHAAMO CCOC(=O)N1CCC([N@H+]2CCc3nc(-c4ccc(Cl)cc4)[nH]c3C2)CC1 ZINC000216120132 570295863 /nfs/dbraw/zinc/29/58/63/570295863.db2.gz QRSCTAHQCNIPOQ-UHFFFAOYSA-N 1 1 388.899 3.709 50 0 GHAAMO Cc1ccc(C[N@H+]2CCN(Cc3c[nH]nc3C3CCCCC3)C[C@@H]2CCO)cc1 ZINC000022916657 570335265 /nfs/dbraw/zinc/33/52/65/570335265.db2.gz PVILFEQZHVSSPD-QHCPKHFHSA-N 1 1 396.579 3.835 50 0 GHAAMO C[C@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000022931155 570337192 /nfs/dbraw/zinc/33/71/92/570337192.db2.gz JMLCFZZJAOEPBN-RRVLBIQBSA-N 1 1 395.591 3.525 50 0 GHAAMO COc1ccc(-c2cccc(C(=O)N(C)CCCC[NH+]3CCOCC3)c2)cc1 ZINC000218940749 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CC(=O)c1ccc(C[N@H+]2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000095382559 571068727 /nfs/dbraw/zinc/06/87/27/571068727.db2.gz DRJMYYPWQAPPGY-RBZQAINGSA-N 1 1 376.500 3.657 50 0 GHAAMO CN1CC[C@@]2(CN(Cc3ccc(C4CCCC4)s3)CC[N@H+]2C)CCC1=O ZINC000095391151 571072624 /nfs/dbraw/zinc/07/26/24/571072624.db2.gz PCVAPIBHTKUIQY-OAQYLSRUSA-N 1 1 375.582 3.534 50 0 GHAAMO CN1CC[N@H+](Cc2ccc(C3CCCC3)s2)C[C@]12CCC(=O)N(C)CC2 ZINC000095391151 571072627 /nfs/dbraw/zinc/07/26/27/571072627.db2.gz PCVAPIBHTKUIQY-OAQYLSRUSA-N 1 1 375.582 3.534 50 0 GHAAMO CN1CC[N@@H+](Cc2ccc(C3CCCC3)s2)C[C@]12CCC(=O)N(C)CC2 ZINC000095391151 571072629 /nfs/dbraw/zinc/07/26/29/571072629.db2.gz PCVAPIBHTKUIQY-OAQYLSRUSA-N 1 1 375.582 3.534 50 0 GHAAMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCCc3ccccc3)nc2)C1 ZINC000178038270 837609278 /nfs/dbraw/zinc/60/92/78/837609278.db2.gz MCZILRUMAOWJNA-LJQANCHMSA-N 1 1 382.508 3.509 50 0 GHAAMO COc1ccc2c(c1)C=C(CN[C@H]1CCC[N@@H+](C3Cc4ccccc4C3)C1)CO2 ZINC000023373236 836820335 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Cc1ccncc1C(=O)N1CCC([N@H+]2C[C@H](OCC3CC3)C23CCCCC3)CC1 ZINC000257180335 838783910 /nfs/dbraw/zinc/78/39/10/838783910.db2.gz KPDLUNKVRCQARV-QFIPXVFZSA-N 1 1 397.563 3.808 50 0 GHAAMO COc1ccccc1C[N@@H+]1CCOc2ccc([C@@H](O)c3ccncc3)cc2C1 ZINC000299771154 840767013 /nfs/dbraw/zinc/76/70/13/840767013.db2.gz TXXQGOGHTBAXSL-QHCPKHFHSA-N 1 1 376.456 3.567 50 0 GHAAMO COc1ccccc1C[N@H+]1CCOc2ccc([C@@H](O)c3ccncc3)cc2C1 ZINC000299771154 840767019 /nfs/dbraw/zinc/76/70/19/840767019.db2.gz TXXQGOGHTBAXSL-QHCPKHFHSA-N 1 1 376.456 3.567 50 0 GHAAMO C[C@@H]([NH2+][C@@H](c1cccs1)c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000057452455 862103942 /nfs/dbraw/zinc/10/39/42/862103942.db2.gz RTCYGJVRJIWVLR-QVKFZJNVSA-N 1 1 391.496 3.801 50 0 GHAAMO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000003347269 862356836 /nfs/dbraw/zinc/35/68/36/862356836.db2.gz CHLZBQSOONPRIK-UHFFFAOYSA-N 1 1 380.510 3.639 50 0 GHAAMO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000003347269 862356848 /nfs/dbraw/zinc/35/68/48/862356848.db2.gz CHLZBQSOONPRIK-UHFFFAOYSA-N 1 1 380.510 3.639 50 0 GHAAMO CCOC(=O)[C@H]1CCC[N@@H+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@@H]32)C1 ZINC000004044687 862737099 /nfs/dbraw/zinc/73/70/99/862737099.db2.gz SBBCQMGYCCNVDO-DKAJDXDZSA-N 1 1 389.536 3.720 50 0 biogenic GHAAMO COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000004086922 862770493 /nfs/dbraw/zinc/77/04/93/862770493.db2.gz JSEGOQPXSMUSBX-UHFFFAOYSA-N 1 1 376.453 3.693 50 0 GHAAMO COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000004086922 862770503 /nfs/dbraw/zinc/77/05/03/862770503.db2.gz JSEGOQPXSMUSBX-UHFFFAOYSA-N 1 1 376.453 3.693 50 0 GHAAMO COc1cc2c(cc1O)[C@H](CCc1cc(OC)c(OC)c(OC)c1)[N@@H+](C)CC2 ZINC000004557441 856462700 /nfs/dbraw/zinc/46/27/00/856462700.db2.gz HQDCEIRENZLSPH-KRWDZBQOSA-N 1 1 387.476 3.588 50 0 GHAAMO CCOC(=O)C1CC[NH+](Cc2c(C)c(C)sc2NC(=O)c2ccco2)CC1 ZINC000004276333 862925786 /nfs/dbraw/zinc/92/57/86/862925786.db2.gz NMEAVLPHFWAQOT-UHFFFAOYSA-N 1 1 390.505 3.985 50 0 GHAAMO CCNC(=O)c1ccc(C)c(NC(=O)C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000823128399 862964070 /nfs/dbraw/zinc/96/40/70/862964070.db2.gz GPMANMNPDDJILA-UHFFFAOYSA-N 1 1 379.504 3.563 50 0 GHAAMO CCOCCN(CCOCC)Cc1ccccc1OCC[N@@H+]1CCC[C@@H](C)C1 ZINC000823324742 863034623 /nfs/dbraw/zinc/03/46/23/863034623.db2.gz YWSYYQCDNOGNTR-OAQYLSRUSA-N 1 1 392.584 3.672 50 0 GHAAMO CCOCCN(CCOCC)Cc1ccccc1OCC[N@H+]1CCC[C@@H](C)C1 ZINC000823324742 863034634 /nfs/dbraw/zinc/03/46/34/863034634.db2.gz YWSYYQCDNOGNTR-OAQYLSRUSA-N 1 1 392.584 3.672 50 0 GHAAMO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)CN1CCCCC1 ZINC000012200355 859279214 /nfs/dbraw/zinc/27/92/14/859279214.db2.gz IORHWLIRPQYDFR-UHFFFAOYSA-N 1 1 391.987 3.539 50 0 GHAAMO O[C@@]1(c2ccccn2)CCOC2(CC[NH+](Cc3ccc(Cl)cc3F)CC2)C1 ZINC000257174547 859342549 /nfs/dbraw/zinc/34/25/49/859342549.db2.gz ICJHTLGFONCWFW-NRFANRHFSA-N 1 1 390.886 3.907 50 0 GHAAMO CCC(=O)N[C@@H](c1nnc2n1CC[N@H+](Cc1ccc(C(C)C)cc1)CC2)C(C)C ZINC000012282089 859666766 /nfs/dbraw/zinc/66/67/66/859666766.db2.gz ONLBOJXMWWRVSI-JOCHJYFZSA-N 1 1 397.567 3.683 50 0 GHAAMO COc1cc(CCC(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)cc(OC)c1 ZINC000095460075 860592034 /nfs/dbraw/zinc/59/20/34/860592034.db2.gz MEQNVENWCMWFCT-UHFFFAOYSA-N 1 1 382.504 3.912 50 0 GHAAMO C[C@H](NC(=O)C[NH2+][C@H](C[S@](C)=O)c1ccccc1)c1cccc2ccccc21 ZINC000095462645 860593107 /nfs/dbraw/zinc/59/31/07/860593107.db2.gz FCMQYQPWECFJKK-OOFIYHFUSA-N 1 1 394.540 3.726 50 0 GHAAMO COc1ccc(C[N@@H+]2CCc3nc(Nc4ccccc4F)ncc3C2)c(OC)c1 ZINC000021038813 860702516 /nfs/dbraw/zinc/70/25/16/860702516.db2.gz KJVALLRJBZJYIA-UHFFFAOYSA-N 1 1 394.450 3.935 50 0 GHAAMO COc1ccc(C[N@H+]2CCc3nc(Nc4ccccc4F)ncc3C2)c(OC)c1 ZINC000021038813 860702523 /nfs/dbraw/zinc/70/25/23/860702523.db2.gz KJVALLRJBZJYIA-UHFFFAOYSA-N 1 1 394.450 3.935 50 0 GHAAMO Cc1cccc(CC(=O)NC[C@H](c2cccn2C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000021151749 860728253 /nfs/dbraw/zinc/72/82/53/860728253.db2.gz GHZCKBXSOCAMMW-XMMPIXPASA-N 1 1 387.527 3.792 50 0 GHAAMO Cc1cccc(CC(=O)NC[C@H](c2cccn2C)[N@H+]2CCc3ccccc3C2)c1 ZINC000021151749 860728260 /nfs/dbraw/zinc/72/82/60/860728260.db2.gz GHZCKBXSOCAMMW-XMMPIXPASA-N 1 1 387.527 3.792 50 0 GHAAMO O=S(=O)(CCC[NH+]1CCC(c2c[nH]c3ncccc23)CC1)c1ccccc1 ZINC000172349324 863499996 /nfs/dbraw/zinc/49/99/96/863499996.db2.gz FVLUPNPOVSBMJC-UHFFFAOYSA-N 1 1 383.517 3.606 50 0 GHAAMO COc1cccc(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccc(SC)c3)C2)c1 ZINC000824775235 864136734 /nfs/dbraw/zinc/13/67/34/864136734.db2.gz BXRGUWVJSUFEHJ-FQEVSTJZSA-N 1 1 398.572 3.988 50 0 GHAAMO COCc1nc(-c2ccc(O[C@@H]3CC[N@@H+](Cc4cccc(F)c4)C3)cc2)no1 ZINC000581780997 869963290 /nfs/dbraw/zinc/96/32/90/869963290.db2.gz YXADECHYDXITKD-LJQANCHMSA-N 1 1 383.423 3.675 50 0 GHAAMO Cc1c[nH+]c(C[C@H]2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)C2)n1C(C)C ZINC000581805577 870026792 /nfs/dbraw/zinc/02/67/92/870026792.db2.gz CMNYXELIRRPWSI-QGZVFWFLSA-N 1 1 387.549 3.514 50 0 GHAAMO Cc1cccc(C(=O)N2CCC(Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)c1 ZINC000581810076 870042178 /nfs/dbraw/zinc/04/21/78/870042178.db2.gz PDUYYDPJJWLAMI-UHFFFAOYSA-N 1 1 392.543 3.922 50 0 GHAAMO CC(C)Cn1c2ccccc2nc1CN1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000670461651 893674031 /nfs/dbraw/zinc/67/40/31/893674031.db2.gz YEFFDAGILCDUBZ-UHFFFAOYSA-N 1 1 377.536 3.795 50 0 GHAAMO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000585081182 897052137 /nfs/dbraw/zinc/05/21/37/897052137.db2.gz DXAROIVVGIIHCG-GOSISDBHSA-N 1 1 376.884 3.512 50 0 GHAAMO O=C(C[N@H+]1CCC[C@@H](C(=O)N2Cc3cccc(Cl)c3C2)C1)Nc1ccccc1 ZINC000585083339 897075033 /nfs/dbraw/zinc/07/50/33/897075033.db2.gz RXPGBHAMMMBDHE-QGZVFWFLSA-N 1 1 397.906 3.533 50 0 GHAAMO O=C(C[N@@H+]1CCC[C@@H](C(=O)N2Cc3cccc(Cl)c3C2)C1)Nc1ccccc1 ZINC000585083339 897075043 /nfs/dbraw/zinc/07/50/43/897075043.db2.gz RXPGBHAMMMBDHE-QGZVFWFLSA-N 1 1 397.906 3.533 50 0 GHAAMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2COCCN2C2CCCC2)c1 ZINC000192764892 904341748 /nfs/dbraw/zinc/34/17/48/904341748.db2.gz LMNXLBHJAKPGIA-OAQYLSRUSA-N 1 1 396.535 3.637 50 0 GHAAMO Cc1ccc2c(c1)c(CNC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCCCC1)nn2C ZINC000952870331 904634133 /nfs/dbraw/zinc/63/41/33/904634133.db2.gz WNWRGMDDKKTACX-QFIPXVFZSA-N 1 1 394.494 3.864 50 0 GHAAMO Cc1ccc2c(c1)c(CNC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1)nn2C ZINC000952870330 904634434 /nfs/dbraw/zinc/63/44/34/904634434.db2.gz WNWRGMDDKKTACX-JOCHJYFZSA-N 1 1 394.494 3.864 50 0 GHAAMO COCCc1noc([C@H]2CCCC[N@H+]2C2CCN(c3ccccc3C)CC2)n1 ZINC000952871784 904636006 /nfs/dbraw/zinc/63/60/06/904636006.db2.gz BBVUJHODRXSYNH-HXUWFJFHSA-N 1 1 384.524 3.763 50 0 GHAAMO Cc1nc([C@H](C)[N@H+](C)Cc2ccc(OCC(=O)N3CCCC3)cc2)c(C)s1 ZINC000952973386 904651583 /nfs/dbraw/zinc/65/15/83/904651583.db2.gz SSHMLXOEBRNCED-HNNXBMFYSA-N 1 1 387.549 3.954 50 0 GHAAMO Cc1nc([C@H](C)[N@@H+](C)Cc2ccc(OCC(=O)N3CCCC3)cc2)c(C)s1 ZINC000952973386 904651591 /nfs/dbraw/zinc/65/15/91/904651591.db2.gz SSHMLXOEBRNCED-HNNXBMFYSA-N 1 1 387.549 3.954 50 0 GHAAMO CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000952972486 904651882 /nfs/dbraw/zinc/65/18/82/904651882.db2.gz JZBBEGOZDFFENN-NRFANRHFSA-N 1 1 377.488 3.507 50 0 GHAAMO CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000952972486 904651891 /nfs/dbraw/zinc/65/18/91/904651891.db2.gz JZBBEGOZDFFENN-NRFANRHFSA-N 1 1 377.488 3.507 50 0 GHAAMO COCCN1CC[C@@H](C[N@@H+](C)C2CCN(c3ccc(C)c(Cl)c3)CC2)C1 ZINC000952982219 904668462 /nfs/dbraw/zinc/66/84/62/904668462.db2.gz QRIIULMHHBMLRC-SFHVURJKSA-N 1 1 379.976 3.517 50 0 GHAAMO CCOC(=O)/C=C\c1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000096988771 915319104 /nfs/dbraw/zinc/31/91/04/915319104.db2.gz QQZZLYRTFFZSCA-PLTPHKKDSA-N 1 1 378.472 3.821 50 0 GHAAMO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCCCC[C@H]2/C=C\c2ccccc2)o1 ZINC000254495083 916765785 /nfs/dbraw/zinc/76/57/85/916765785.db2.gz HUNHTACSSPVVDU-HSNDNRACSA-N 1 1 388.533 3.988 50 0 GHAAMO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCCCC[C@H]2/C=C\c2ccccc2)o1 ZINC000254495083 916765799 /nfs/dbraw/zinc/76/57/99/916765799.db2.gz HUNHTACSSPVVDU-HSNDNRACSA-N 1 1 388.533 3.988 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4cccc(F)c4)CC[C@@H]32)c1 ZINC000014962690 919349376 /nfs/dbraw/zinc/34/93/76/919349376.db2.gz SSCHGUBCKXPTDN-KNQAVFIVSA-N 1 1 382.479 3.961 50 0 GHAAMO COC(=O)[C@H]1CCCC[N@@H+]1C1CCN(c2nc(C)c3cc(C)c(C)cc3n2)CC1 ZINC000055074784 924035518 /nfs/dbraw/zinc/03/55/18/924035518.db2.gz BPLCLPZZGDCPFG-OAQYLSRUSA-N 1 1 396.535 3.551 50 0 GHAAMO COC(=O)[C@H]1CCCC[N@H+]1C1CCN(c2nc(C)c3cc(C)c(C)cc3n2)CC1 ZINC000055074784 924035530 /nfs/dbraw/zinc/03/55/30/924035530.db2.gz BPLCLPZZGDCPFG-OAQYLSRUSA-N 1 1 396.535 3.551 50 0 GHAAMO COc1cc(/C=C/C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC(C)C ZINC000012779945 927802794 /nfs/dbraw/zinc/80/27/94/927802794.db2.gz DIFTXIKTADBRRQ-ACUNGTFPSA-N 1 1 394.515 3.886 50 0 GHAAMO FC(F)(F)Oc1cccc(C2([NH2+]Cc3cc4n(n3)CCCC4)CCOCC2)c1 ZINC000649593775 1048999286 /nfs/dbraw/zinc/99/92/86/1048999286.db2.gz AGDGJMPCIVXCRE-UHFFFAOYSA-N 1 1 395.425 3.914 50 0 GHAAMO CSc1cccc(CNC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000426634070 231248386 /nfs/dbraw/zinc/24/83/86/231248386.db2.gz VSJNZGOXRILFDO-UHFFFAOYSA-N 1 1 387.524 3.965 50 0 GHAAMO CSc1cccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000426634070 231248390 /nfs/dbraw/zinc/24/83/90/231248390.db2.gz VSJNZGOXRILFDO-UHFFFAOYSA-N 1 1 387.524 3.965 50 0 GHAAMO O=C(NCc1ccc(O)cc1)N1CCC[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000426652120 231248835 /nfs/dbraw/zinc/24/88/35/231248835.db2.gz VXPDLGROSYFIFF-DEOSSOPVSA-N 1 1 393.531 3.980 50 0 GHAAMO CCc1cnc(C)nc1-c1cccc(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000426538364 529637551 /nfs/dbraw/zinc/63/75/51/529637551.db2.gz JSESYFVXGHGBAG-QHCPKHFHSA-N 1 1 378.520 3.572 50 0 GHAAMO CCc1[nH+]ccn1CCCNC(=O)c1cccc(-c2ccc3c(c2)OCO3)c1 ZINC000426640533 529759755 /nfs/dbraw/zinc/75/97/55/529759755.db2.gz RAJQADUTZOTOEW-UHFFFAOYSA-N 1 1 377.444 3.661 50 0 GHAAMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000000819214 212185545 /nfs/dbraw/zinc/18/55/45/212185545.db2.gz FKPSHCRYQCXQGT-HNNXBMFYSA-N 1 1 379.342 3.920 50 0 GHAAMO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000229416353 212115957 /nfs/dbraw/zinc/11/59/57/212115957.db2.gz NUONCDWWIZHTIW-WCQYABFASA-N 1 1 392.385 3.814 50 0 GHAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)NCc2cccc(Cl)c2)c1 ZINC000007718717 221007865 /nfs/dbraw/zinc/00/78/65/221007865.db2.gz WXZFNXFFBOZMMZ-LJQANCHMSA-N 1 1 388.895 3.811 50 0 GHAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)NCc2cccc(Cl)c2)c1 ZINC000007718717 221007868 /nfs/dbraw/zinc/00/78/68/221007868.db2.gz WXZFNXFFBOZMMZ-LJQANCHMSA-N 1 1 388.895 3.811 50 0 GHAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1C1CC1)NCCc1c[nH]c2ccccc12 ZINC000007880494 221014584 /nfs/dbraw/zinc/01/45/84/221014584.db2.gz LGVDHQYSCYAFEO-QFIPXVFZSA-N 1 1 379.529 3.898 50 0 GHAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1C1CC1)NCCc1c[nH]c2ccccc12 ZINC000007880494 221014585 /nfs/dbraw/zinc/01/45/85/221014585.db2.gz LGVDHQYSCYAFEO-QFIPXVFZSA-N 1 1 379.529 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GHAAMO CSc1ncccc1C(=O)N(C)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012028166 221143331 /nfs/dbraw/zinc/14/33/31/221143331.db2.gz XWTHJTPFYKJWNN-LJQANCHMSA-N 1 1 383.561 3.973 50 0 GHAAMO O=C(N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1cc(-c2ccsc2)n[nH]1 ZINC000012305391 221177290 /nfs/dbraw/zinc/17/72/90/221177290.db2.gz IEKVLXXEUUIFHF-GOSISDBHSA-N 1 1 380.517 3.575 50 0 GHAAMO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012326750 221182118 /nfs/dbraw/zinc/18/21/18/221182118.db2.gz VOILBQJDEWPWOX-NSHGMRRFSA-N 1 1 379.504 3.603 50 0 GHAAMO COc1ccc(-n2cc(C[N@H+]3CCC[C@H]3CO)c(-c3cccc(F)c3)n2)cc1 ZINC000012223665 221170829 /nfs/dbraw/zinc/17/08/29/221170829.db2.gz SJFKDBXXKBOAMI-FQEVSTJZSA-N 1 1 381.451 3.644 50 0 GHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cc(CC(C)C)n[nH]2)C1 ZINC000012433499 221192992 /nfs/dbraw/zinc/19/29/92/221192992.db2.gz CYMGLUTYFHJKAS-HXUWFJFHSA-N 1 1 396.579 3.943 50 0 GHAAMO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2cc(CC(C)C)[nH]n2)C1 ZINC000012433499 221192995 /nfs/dbraw/zinc/19/29/95/221192995.db2.gz CYMGLUTYFHJKAS-HXUWFJFHSA-N 1 1 396.579 3.943 50 0 GHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cc(CC(C)C)[nH]n2)C1 ZINC000012433499 221192997 /nfs/dbraw/zinc/19/29/97/221192997.db2.gz CYMGLUTYFHJKAS-HXUWFJFHSA-N 1 1 396.579 3.943 50 0 GHAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)[C@H]2CCOC2)c(F)c1 ZINC000012437502 221193247 /nfs/dbraw/zinc/19/32/47/221193247.db2.gz CNJHEMLEJNRCLX-SFHVURJKSA-N 1 1 381.451 3.908 50 0 GHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2n[nH]c3ccccc32)C1 ZINC000012437958 221193334 /nfs/dbraw/zinc/19/33/34/221193334.db2.gz PDEBKDSMNRTKEQ-IBGZPJMESA-N 1 1 390.531 3.898 50 0 GHAAMO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2[nH]nc3ccccc32)C1 ZINC000012437958 221193337 /nfs/dbraw/zinc/19/33/37/221193337.db2.gz PDEBKDSMNRTKEQ-IBGZPJMESA-N 1 1 390.531 3.898 50 0 GHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2[nH]nc3ccccc32)C1 ZINC000012437958 221193341 /nfs/dbraw/zinc/19/33/41/221193341.db2.gz PDEBKDSMNRTKEQ-IBGZPJMESA-N 1 1 390.531 3.898 50 0 GHAAMO CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC000012439660 221195833 /nfs/dbraw/zinc/19/58/33/221195833.db2.gz HSGLPAYHRCXBAN-LJQANCHMSA-N 1 1 392.503 3.698 50 0 GHAAMO COc1ccc(CCNC(=O)[C@H](C)Nc2ccc([NH+]3CCCCC3)cc2)cc1 ZINC000012507054 221199795 /nfs/dbraw/zinc/19/97/95/221199795.db2.gz HCXUZLRAWOAFED-SFHVURJKSA-N 1 1 381.520 3.845 50 0 GHAAMO CSCc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)o1 ZINC000012386888 221187954 /nfs/dbraw/zinc/18/79/54/221187954.db2.gz XWFJNGDBBLJCNA-GOSISDBHSA-N 1 1 384.545 3.846 50 0 GHAAMO C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)[C@H]1CCOC1 ZINC000012596742 221213554 /nfs/dbraw/zinc/21/35/54/221213554.db2.gz GFIIVVGTPBZRNW-FQEVSTJZSA-N 1 1 391.471 3.548 50 0 GHAAMO CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCC[N@@H+](Cc2cnn(C)c2C)C1 ZINC000012705407 221218995 /nfs/dbraw/zinc/21/89/95/221218995.db2.gz DMHRLNLWFHSVMF-ZRGXPQFDSA-N 1 1 381.520 3.977 50 0 GHAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(OC)c(OC)c3)C2)cc(OC)c1 ZINC000012716355 221220980 /nfs/dbraw/zinc/22/09/80/221220980.db2.gz KDBNLRTYARXGHV-SFHVURJKSA-N 1 1 399.487 3.816 50 0 GHAAMO Cc1nc(CC(C)C)cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)n1 ZINC000012748748 221224866 /nfs/dbraw/zinc/22/48/66/221224866.db2.gz XFQWKCKKZHSQKE-GOSISDBHSA-N 1 1 384.499 3.517 50 0 GHAAMO Cc1nc(CC(C)C)cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)n1 ZINC000012748748 221224868 /nfs/dbraw/zinc/22/48/68/221224868.db2.gz XFQWKCKKZHSQKE-GOSISDBHSA-N 1 1 384.499 3.517 50 0 GHAAMO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000012976820 221250918 /nfs/dbraw/zinc/25/09/18/221250918.db2.gz XLJRWYJSYDZHKH-KBXCAEBGSA-N 1 1 388.533 3.952 50 0 GHAAMO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000012976820 221250920 /nfs/dbraw/zinc/25/09/20/221250920.db2.gz XLJRWYJSYDZHKH-KBXCAEBGSA-N 1 1 388.533 3.952 50 0 GHAAMO COc1ccc2cc(C(=O)N3CC[NH+](Cc4ccccc4C)CC3)c(C)nc2c1 ZINC000012996395 221254582 /nfs/dbraw/zinc/25/45/82/221254582.db2.gz LKOAYGAPVDQDLW-UHFFFAOYSA-N 1 1 389.499 3.818 50 0 GHAAMO CCC(CC)[C@H](CNC(=O)c1cc(SC)ccc1Cl)[NH+]1CCOCC1 ZINC000013013110 221257547 /nfs/dbraw/zinc/25/75/47/221257547.db2.gz NTLDQBPKDMCDEQ-SFHVURJKSA-N 1 1 384.973 3.929 50 0 GHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000013015635 221258072 /nfs/dbraw/zinc/25/80/72/221258072.db2.gz WCTAMDCGENHYLW-CYBMUJFWSA-N 1 1 387.846 3.691 50 0 GHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000013015635 221258075 /nfs/dbraw/zinc/25/80/75/221258075.db2.gz WCTAMDCGENHYLW-CYBMUJFWSA-N 1 1 387.846 3.691 50 0 GHAAMO COC(=O)c1ccc(C[N@@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2C)cc1 ZINC000013018283 221258187 /nfs/dbraw/zinc/25/81/87/221258187.db2.gz GSAJJCYSXKSZFX-NRFANRHFSA-N 1 1 399.531 3.951 50 0 GHAAMO C[C@@H]1C[N@H+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H](C)O1 ZINC000013133962 221261732 /nfs/dbraw/zinc/26/17/32/221261732.db2.gz QJIQFHNUNAUHQZ-VWKPWSFCSA-N 1 1 391.458 3.541 50 0 GHAAMO CC(=O)Nc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OCc3ccccc3)CC2)cc1 ZINC000014095578 221298535 /nfs/dbraw/zinc/29/85/35/221298535.db2.gz XRWLRPPXTUCTGI-KRWDZBQOSA-N 1 1 395.503 3.653 50 0 GHAAMO CC[N@H+](CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C)Cc1cccs1 ZINC000014109108 221298819 /nfs/dbraw/zinc/29/88/19/221298819.db2.gz NPQWJRAAZXTCIY-UHFFFAOYSA-N 1 1 396.560 3.748 50 0 GHAAMO CC[N@@H+](CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C)Cc1cccs1 ZINC000014109108 221298822 /nfs/dbraw/zinc/29/88/22/221298822.db2.gz NPQWJRAAZXTCIY-UHFFFAOYSA-N 1 1 396.560 3.748 50 0 GHAAMO CC[C@H](C(=O)NCc1ccccc1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000014124075 221300041 /nfs/dbraw/zinc/30/00/41/221300041.db2.gz PMLWUNCPERPGAA-GOSISDBHSA-N 1 1 375.310 3.976 50 0 GHAAMO CCOC(=O)c1oc2ccccc2c1C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000014246373 221306414 /nfs/dbraw/zinc/30/64/14/221306414.db2.gz RVSICNGPRUMONK-OAHLLOKOSA-N 1 1 381.428 3.881 50 0 GHAAMO CCOC(=O)c1oc2ccccc2c1C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000014246373 221306416 /nfs/dbraw/zinc/30/64/16/221306416.db2.gz RVSICNGPRUMONK-OAHLLOKOSA-N 1 1 381.428 3.881 50 0 GHAAMO COc1cccc(CN2C[C@@H]3C[C@@H](c4ccccc4F)[N@H+]4CCC[C@@]34C2=O)c1 ZINC000014969599 221322082 /nfs/dbraw/zinc/32/20/82/221322082.db2.gz JYWWRVUYPGFHHH-HYVJGQCMSA-N 1 1 380.463 3.772 50 0 GHAAMO CC[C@@H]1C[N@H+](CCNC(=O)C2(c3ccccc3)CC2)Cc2cc(OC)ccc2O1 ZINC000014882842 221317739 /nfs/dbraw/zinc/31/77/39/221317739.db2.gz ZYUXRJDEPDRJBB-HXUWFJFHSA-N 1 1 394.515 3.516 50 0 GHAAMO CC[C@@H]1C[N@@H+](CCNC(=O)C2(c3ccccc3)CC2)Cc2cc(OC)ccc2O1 ZINC000014882842 221317742 /nfs/dbraw/zinc/31/77/42/221317742.db2.gz ZYUXRJDEPDRJBB-HXUWFJFHSA-N 1 1 394.515 3.516 50 0 GHAAMO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2cnc(C)s2)C1 ZINC000014949472 221318951 /nfs/dbraw/zinc/31/89/51/221318951.db2.gz LYJNIXZMYACTSY-OAQYLSRUSA-N 1 1 388.533 3.848 50 0 GHAAMO COc1ccccc1OCC(=O)NC[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000014948880 221319558 /nfs/dbraw/zinc/31/95/58/221319558.db2.gz YVUCYBILKKUEEJ-FTUXVVSKSA-N 1 1 394.515 3.616 50 0 GHAAMO CCc1ccc2oc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cc(=O)c2c1 ZINC000015859931 221348662 /nfs/dbraw/zinc/34/86/62/221348662.db2.gz FQFQWSZAZVBBEF-KRWDZBQOSA-N 1 1 380.444 3.515 50 0 GHAAMO CCc1ccc2oc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cc(=O)c2c1 ZINC000015859930 221348928 /nfs/dbraw/zinc/34/89/28/221348928.db2.gz FQFQWSZAZVBBEF-QGZVFWFLSA-N 1 1 380.444 3.515 50 0 GHAAMO c1ccc(-c2nnc([C@H](c3ccccc3)[NH+]3CCC4(CC3)OCCO4)o2)cc1 ZINC000016493550 221365285 /nfs/dbraw/zinc/36/52/85/221365285.db2.gz ZVHBEFMMGQNEBW-IBGZPJMESA-N 1 1 377.444 3.665 50 0 GHAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3ccccc3F)CC2)[nH+]1 ZINC000064450168 136156630 /nfs/dbraw/zinc/15/66/30/136156630.db2.gz ACFCGYYPYYGAGL-UHFFFAOYSA-N 1 1 391.450 3.630 50 0 GHAAMO Clc1cccc(N2CCN([C@@H]3CCC[N@H+](C4CCSCC4)C3)CC2)c1 ZINC000020777024 136202790 /nfs/dbraw/zinc/20/27/90/136202790.db2.gz WIANNOGDISDQRX-HXUWFJFHSA-N 1 1 380.001 3.822 50 0 GHAAMO CC(C)n1nccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)cc1 ZINC000023819619 221605140 /nfs/dbraw/zinc/60/51/40/221605140.db2.gz GDRQOIUQHWVKIZ-ZDUSSCGKSA-N 1 1 379.302 3.686 50 0 GHAAMO CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000023819619 221605143 /nfs/dbraw/zinc/60/51/43/221605143.db2.gz GDRQOIUQHWVKIZ-ZDUSSCGKSA-N 1 1 379.302 3.686 50 0 GHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)/C=C/c2ccccc2OC(F)F)CC1 ZINC000036652176 221863570 /nfs/dbraw/zinc/86/35/70/221863570.db2.gz UCTJTGWJDRTYTN-ZHACJKMWSA-N 1 1 386.442 3.954 50 0 GHAAMO COc1cc(C[N@@H+](CCCn2ccnc2)Cc2ccncc2)cc(Cl)c1O ZINC000055370108 222020916 /nfs/dbraw/zinc/02/09/16/222020916.db2.gz VQRHSTXXJHDFGH-UHFFFAOYSA-N 1 1 386.883 3.738 50 0 GHAAMO O=S(=O)(Cc1ccc(F)cc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000055508880 222023024 /nfs/dbraw/zinc/02/30/24/222023024.db2.gz GJYHFADORLJIQN-UHFFFAOYSA-N 1 1 396.915 3.563 50 0 GHAAMO O=C(C[NH+]1CCC(c2nc(-c3cccc(F)c3)no2)CC1)NC1CCCCC1 ZINC000065184224 222107705 /nfs/dbraw/zinc/10/77/05/222107705.db2.gz NBHNEQIAJRIRHR-UHFFFAOYSA-N 1 1 386.471 3.504 50 0 GHAAMO C[C@H](CN1CCCC1=O)NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000058155684 222040869 /nfs/dbraw/zinc/04/08/69/222040869.db2.gz AHIJDHLGWNUWCU-QGZVFWFLSA-N 1 1 386.540 3.584 50 0 GHAAMO CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000058438880 222053825 /nfs/dbraw/zinc/05/38/25/222053825.db2.gz KPWKRKOJJYMWRN-HXUWFJFHSA-N 1 1 392.588 3.816 50 0 GHAAMO O=C(CCc1nc2ccccc2[nH]1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000062228632 222066122 /nfs/dbraw/zinc/06/61/22/222066122.db2.gz NVBRDVVXECPYII-IBGZPJMESA-N 1 1 376.504 3.666 50 0 GHAAMO Cc1ccc(NC(=O)N2CC[NH+](Cc3cn(C)c4ccccc34)CC2)cc1F ZINC000065330060 222123849 /nfs/dbraw/zinc/12/38/49/222123849.db2.gz FELKXCFTPCERLQ-UHFFFAOYSA-N 1 1 380.467 3.976 50 0 GHAAMO O=C(NC[C@H]1CCN(c2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065477728 222131358 /nfs/dbraw/zinc/13/13/58/222131358.db2.gz ADFNPENYABNUSX-NHCUHLMSSA-N 1 1 395.522 3.680 50 0 GHAAMO COc1cc2cc(C[N@H+]3CCCC[C@H]3c3cccnc3)c(=O)[nH]c2cc1OC ZINC000067804203 222159672 /nfs/dbraw/zinc/15/96/72/222159672.db2.gz KBSROSKYLRQENK-IBGZPJMESA-N 1 1 379.460 3.668 50 0 GHAAMO Nc1cc(N2CCc3onc(C(c4ccccc4)c4ccccc4)c3C2)nc[nH+]1 ZINC000067834189 222160757 /nfs/dbraw/zinc/16/07/57/222160757.db2.gz YAIRWPUCYIZLKY-UHFFFAOYSA-N 1 1 383.455 3.790 50 0 GHAAMO Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1cccc2c1CC[N@H+](C(C)C)C2 ZINC000069917986 222174918 /nfs/dbraw/zinc/17/49/18/222174918.db2.gz FGJBHMBDVXKCJN-UHFFFAOYSA-N 1 1 393.466 3.734 50 0 GHAAMO CCN(C)C(=O)C[N@@H+]1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000071403968 222184290 /nfs/dbraw/zinc/18/42/90/222184290.db2.gz MEZLUNJHEHZRDG-IBGZPJMESA-N 1 1 380.488 3.852 50 0 GHAAMO CCN(C)C(=O)C[N@H+]1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000071403968 222184294 /nfs/dbraw/zinc/18/42/94/222184294.db2.gz MEZLUNJHEHZRDG-IBGZPJMESA-N 1 1 380.488 3.852 50 0 GHAAMO CCc1[nH]c2c(cc(C)cc2CNc2nc(N3CCC(O)CC3)cc[nH+]2)c1C ZINC000071753991 222192114 /nfs/dbraw/zinc/19/21/14/222192114.db2.gz UJOCZYDLQXFVQZ-UHFFFAOYSA-N 1 1 379.508 3.710 50 0 GHAAMO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1c(C(=O)N2CCCC2)nc2ccccn21 ZINC000071764150 222195928 /nfs/dbraw/zinc/19/59/28/222195928.db2.gz RKDVZBGRRRUWTG-INIZCTEOSA-N 1 1 380.467 3.902 50 0 GHAAMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1c(C(=O)N2CCCC2)nc2ccccn21 ZINC000071764150 222195932 /nfs/dbraw/zinc/19/59/32/222195932.db2.gz RKDVZBGRRRUWTG-INIZCTEOSA-N 1 1 380.467 3.902 50 0 GHAAMO Cc1nc(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)cs1 ZINC000071765207 222196474 /nfs/dbraw/zinc/19/64/74/222196474.db2.gz ACKNCXFZVBVJIY-IBGZPJMESA-N 1 1 375.513 3.850 50 0 GHAAMO Cc1nc(C[N@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)cs1 ZINC000071765207 222196479 /nfs/dbraw/zinc/19/64/79/222196479.db2.gz ACKNCXFZVBVJIY-IBGZPJMESA-N 1 1 375.513 3.850 50 0 GHAAMO COc1ncccc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072140060 222211236 /nfs/dbraw/zinc/21/12/36/222211236.db2.gz SPLXCJIQEVUVDO-HXUWFJFHSA-N 1 1 385.483 3.602 50 0 GHAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(c1nc(-c3ccccc3)no1)CC2 ZINC000095501198 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378.398 3.840 50 0 GHAAMO O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000095528242 222350831 /nfs/dbraw/zinc/35/08/31/222350831.db2.gz SFGAXIFZBJBKTB-UHFFFAOYSA-N 1 1 378.398 3.840 50 0 GHAAMO Cc1ccc(C)c([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccnn3C)CC2)c1 ZINC000096183697 222397207 /nfs/dbraw/zinc/39/72/07/222397207.db2.gz VLOMVCYHNMXBHC-QHCPKHFHSA-N 1 1 388.515 3.584 50 0 GHAAMO C[N@@H+](C1CCCC1)C1CCN(c2ccc3nnc(-c4ccc(F)cc4)n3n2)CC1 ZINC000020860842 517922453 /nfs/dbraw/zinc/92/24/53/517922453.db2.gz NWZNQNGUCADWBK-UHFFFAOYSA-N 1 1 394.498 3.774 50 0 GHAAMO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4ccccc4c3)CC2)cc1OC ZINC000019787643 570218591 /nfs/dbraw/zinc/21/85/91/570218591.db2.gz DAZPUTFXNIIOFE-UHFFFAOYSA-N 1 1 390.483 3.815 50 0 GHAAMO OCC[C@@H]1CN(Cc2nc3ccccc3s2)CC[N@H+]1CCCc1ccccc1 ZINC000019787298 570218764 /nfs/dbraw/zinc/21/87/64/570218764.db2.gz JHZXMMNRKQEAAL-HXUWFJFHSA-N 1 1 395.572 3.798 50 0 GHAAMO CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000048272961 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/nfs/dbraw/zinc/28/39/73/570283973.db2.gz XOGUNZUECKJEAR-GULCCPCXSA-N 1 1 391.559 3.995 50 0 GHAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C/C=C/c3ccccc3)C2)CC1 ZINC000020910466 570283975 /nfs/dbraw/zinc/28/39/75/570283975.db2.gz XOGUNZUECKJEAR-GULCCPCXSA-N 1 1 391.559 3.995 50 0 GHAAMO C[C@@H]1CCc2nc(NC(=O)C[NH+]3CCC(Cc4ccccc4)CC3)sc2C1 ZINC000006851972 570291070 /nfs/dbraw/zinc/29/10/70/570291070.db2.gz ZOOWQPAMZIZYIE-MRXNPFEDSA-N 1 1 383.561 3.583 50 0 GHAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccco3)CC2)nc1)c1ccc(F)cc1 ZINC000034681660 570299844 /nfs/dbraw/zinc/29/98/44/570299844.db2.gz IEOKSZMKJSLTCO-UHFFFAOYSA-N 1 1 394.450 3.778 50 0 GHAAMO CCN1CC[NH+](C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000022465855 570317954 /nfs/dbraw/zinc/31/79/54/570317954.db2.gz LUUBGZUTYPIZOR-ZFDSFTMVSA-N 1 1 398.591 3.532 50 0 GHAAMO CCNC(=O)[C@H]1C[C@H](c2ccc(F)c(C)c2)C[N@@H+](Cc2cccc(OC)c2)C1 ZINC000034716719 570319460 /nfs/dbraw/zinc/31/94/60/570319460.db2.gz AFCZZFHJOPTTMO-PMACEKPBSA-N 1 1 384.495 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ZINC000248020917 570435771 /nfs/dbraw/zinc/43/57/71/570435771.db2.gz HRWLGHWLDGDWNR-OFNKIYASSA-N 1 1 379.548 3.675 50 0 GHAAMO C[C@H](CC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000248020917 570435777 /nfs/dbraw/zinc/43/57/77/570435777.db2.gz HRWLGHWLDGDWNR-OFNKIYASSA-N 1 1 379.548 3.675 50 0 GHAAMO CSCc1ccc(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000029999999 570483755 /nfs/dbraw/zinc/48/37/55/570483755.db2.gz AEQKBCSBMRTWMM-JOCHJYFZSA-N 1 1 397.588 3.658 50 0 GHAAMO CSCc1ccc(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000029999999 570483758 /nfs/dbraw/zinc/48/37/58/570483758.db2.gz AEQKBCSBMRTWMM-JOCHJYFZSA-N 1 1 397.588 3.658 50 0 GHAAMO CSCc1ccc(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000029999999 570483762 /nfs/dbraw/zinc/48/37/62/570483762.db2.gz AEQKBCSBMRTWMM-JOCHJYFZSA-N 1 1 397.588 3.658 50 0 GHAAMO CSc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](C(C)C)C3)cc1 ZINC000005222824 570516723 /nfs/dbraw/zinc/51/67/23/570516723.db2.gz LIMVGMLHERLGAP-UHFFFAOYSA-N 1 1 389.546 3.588 50 0 GHAAMO CSc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](C(C)C)C3)cc1 ZINC000005222824 570516726 /nfs/dbraw/zinc/51/67/26/570516726.db2.gz LIMVGMLHERLGAP-UHFFFAOYSA-N 1 1 389.546 3.588 50 0 GHAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036031427 570517806 /nfs/dbraw/zinc/51/78/06/570517806.db2.gz SDQXCUHUOQFDAY-NRFANRHFSA-N 1 1 391.467 3.857 50 0 GHAAMO Cc1ccc(C)c(NC(=O)[C@H](Sc2nc(N)cc(N)[nH+]2)c2ccccc2)c1 ZINC000005229201 570518358 /nfs/dbraw/zinc/51/83/58/570518358.db2.gz SLYNOTZWNXIJST-GOSISDBHSA-N 1 1 379.489 3.730 50 0 GHAAMO Cc1ccccc1C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COCC(C)C ZINC000036104620 570541734 /nfs/dbraw/zinc/54/17/34/570541734.db2.gz PRQKWJAUHGKCDI-OAQYLSRUSA-N 1 1 385.504 3.759 50 0 GHAAMO CC[NH+]1CCC(CNC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000555936501 570550364 /nfs/dbraw/zinc/55/03/64/570550364.db2.gz NKCPEBGYIAEPOQ-GOSISDBHSA-N 1 1 389.931 3.795 50 0 GHAAMO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+](C3CCSCC3)C2)cc1 ZINC000039542139 570593428 /nfs/dbraw/zinc/59/34/28/570593428.db2.gz LLXVNFKQPQYLKJ-QGZVFWFLSA-N 1 1 384.549 3.727 50 0 GHAAMO CCOc1ccccc1N1CC[NH+](Cc2c[nH]nc2-c2ccc(OC)cc2)CC1 ZINC000042751593 570622129 /nfs/dbraw/zinc/62/21/29/570622129.db2.gz RUXDIEQSZSAVOS-UHFFFAOYSA-N 1 1 392.503 3.806 50 0 GHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000036385885 570656340 /nfs/dbraw/zinc/65/63/40/570656340.db2.gz AFEGMHVVRFRZAW-JKSUJKDBSA-N 1 1 397.910 3.791 50 0 GHAAMO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000229716220 570666280 /nfs/dbraw/zinc/66/62/80/570666280.db2.gz SUUXLLBBSOHMBH-ZWKOTPCHSA-N 1 1 381.524 3.655 50 0 GHAAMO CSCc1ccc(C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000036389952 570671508 /nfs/dbraw/zinc/67/15/08/570671508.db2.gz AEQKBCSBMRTWMM-QFIPXVFZSA-N 1 1 397.588 3.658 50 0 GHAAMO CSCc1ccc(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000036389952 570671511 /nfs/dbraw/zinc/67/15/11/570671511.db2.gz AEQKBCSBMRTWMM-QFIPXVFZSA-N 1 1 397.588 3.658 50 0 GHAAMO CSCc1ccc(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000036389952 570671514 /nfs/dbraw/zinc/67/15/14/570671514.db2.gz AEQKBCSBMRTWMM-QFIPXVFZSA-N 1 1 397.588 3.658 50 0 GHAAMO COc1ccccc1OCC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000036392050 570675104 /nfs/dbraw/zinc/67/51/04/570675104.db2.gz XTZWYRBNZYDXRP-GOSISDBHSA-N 1 1 382.504 3.765 50 0 GHAAMO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000242191436 570688554 /nfs/dbraw/zinc/68/85/54/570688554.db2.gz XFMHUZCWHGQBTM-AWEZNQCLSA-N 1 1 385.455 3.618 50 0 GHAAMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000242191436 570688559 /nfs/dbraw/zinc/68/85/59/570688559.db2.gz XFMHUZCWHGQBTM-AWEZNQCLSA-N 1 1 385.455 3.618 50 0 GHAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1C1CC1)N1CCN(c2ccccc2F)CC1 ZINC000007255669 570821287 /nfs/dbraw/zinc/82/12/87/570821287.db2.gz NZKACKSGISITKF-QFIPXVFZSA-N 1 1 399.535 3.545 50 0 GHAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1C1CC1)N1CCN(c2ccccc2F)CC1 ZINC000007255669 570821288 /nfs/dbraw/zinc/82/12/88/570821288.db2.gz NZKACKSGISITKF-QFIPXVFZSA-N 1 1 399.535 3.545 50 0 GHAAMO O=C1NCCN1c1ccc(C[N@@H+]2CCCC[C@H]2CCc2cccc(O)c2)cc1 ZINC000072143678 570870663 /nfs/dbraw/zinc/87/06/63/570870663.db2.gz DERQALRWFPISKW-FQEVSTJZSA-N 1 1 379.504 3.909 50 0 GHAAMO C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@H](O)COc1ccccc1C(C)(C)C ZINC000032888202 570885472 /nfs/dbraw/zinc/88/54/72/570885472.db2.gz KGKYSNUXHWRPCH-SFHVURJKSA-N 1 1 385.504 3.627 50 0 GHAAMO CCc1c(-c2cccc(C(=O)N3CC[N@H+](C)[C@@H](c4ccccc4)C3)c2)cnn1C ZINC000299766990 570893263 /nfs/dbraw/zinc/89/32/63/570893263.db2.gz GKJDKRMLZLOYMK-HSZRJFAPSA-N 1 1 388.515 3.778 50 0 GHAAMO CCc1c(-c2cccc(C(=O)N3CC[N@@H+](C)[C@@H](c4ccccc4)C3)c2)cnn1C ZINC000299766990 570893266 /nfs/dbraw/zinc/89/32/66/570893266.db2.gz GKJDKRMLZLOYMK-HSZRJFAPSA-N 1 1 388.515 3.778 50 0 GHAAMO CC1(C)C[C@@]1(C(=O)N1CCC[N@H+](Cc2ccncc2)CC1)c1ccccc1F ZINC000299798731 570897506 /nfs/dbraw/zinc/89/75/06/570897506.db2.gz SAJWSKCBPBULQI-QHCPKHFHSA-N 1 1 381.495 3.623 50 0 GHAAMO CC1(C)C[C@@]1(C(=O)N1CCC[N@@H+](Cc2ccncc2)CC1)c1ccccc1F ZINC000299798731 570897509 /nfs/dbraw/zinc/89/75/09/570897509.db2.gz SAJWSKCBPBULQI-QHCPKHFHSA-N 1 1 381.495 3.623 50 0 GHAAMO CCC(=O)N[C@@H](C)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023181383 570944067 /nfs/dbraw/zinc/94/40/67/570944067.db2.gz CRQIUZLKARJIEF-MGPUTAFESA-N 1 1 375.513 3.665 50 0 GHAAMO CCOC(=O)c1ccc(NC(=O)O[C@@H]2CCN3Cc4ccccc4[NH+]=C23)cc1 ZINC000002139642 570963637 /nfs/dbraw/zinc/96/36/37/570963637.db2.gz ZMKUFSXTFSGVLJ-GOSISDBHSA-N 1 1 379.416 3.730 50 0 biogenic GHAAMO OCC[C@@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CC[N@H+]1C1CCCCC1 ZINC000019229338 570965050 /nfs/dbraw/zinc/96/50/50/570965050.db2.gz VTTDLLXXBBHRNP-OAQYLSRUSA-N 1 1 390.955 3.817 50 0 GHAAMO Cc1cccc(N2CCC(NC(=O)c3cnc(-c4ccsc4)s3)CC2)[nH+]1 ZINC000116669803 570985244 /nfs/dbraw/zinc/98/52/44/570985244.db2.gz RLZJRQRCGUXSDV-UHFFFAOYSA-N 1 1 384.530 3.974 50 0 GHAAMO COCCN1C[C@@]2(CCC[N@@H+](Cc3cccc4c(C)c(C)[nH]c43)C2)CCC1=O ZINC000092061751 571042800 /nfs/dbraw/zinc/04/28/00/571042800.db2.gz HVWQMTDFRYLRRH-QHCPKHFHSA-N 1 1 383.536 3.636 50 0 GHAAMO O=C(Cc1cc(F)c(F)c(F)c1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095355382 571051895 /nfs/dbraw/zinc/05/18/95/571051895.db2.gz LWTWNLRMUVHXIS-SJLPKXTDSA-N 1 1 388.433 3.769 50 0 GHAAMO O=c1[nH]c2ccccc2cc1C[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 ZINC000095370699 571060651 /nfs/dbraw/zinc/06/06/51/571060651.db2.gz IRKXYFKDIVIUJH-PGRDOPGGSA-N 1 1 391.490 3.764 50 0 GHAAMO O=c1[nH]c2ccccc2cc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095370699 571060656 /nfs/dbraw/zinc/06/06/56/571060656.db2.gz IRKXYFKDIVIUJH-PGRDOPGGSA-N 1 1 391.490 3.764 50 0 GHAAMO O=c1[nH]c2ccccc2cc1CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000095370699 571060661 /nfs/dbraw/zinc/06/06/61/571060661.db2.gz IRKXYFKDIVIUJH-PGRDOPGGSA-N 1 1 391.490 3.764 50 0 GHAAMO Cc1nn(C)cc1CN1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095378919 571066038 /nfs/dbraw/zinc/06/60/38/571066038.db2.gz SETWYODBOYNLBY-NRFANRHFSA-N 1 1 378.564 3.963 50 0 GHAAMO Cc1nn(C)cc1CN1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095378919 571066043 /nfs/dbraw/zinc/06/60/43/571066043.db2.gz SETWYODBOYNLBY-NRFANRHFSA-N 1 1 378.564 3.963 50 0 GHAAMO CCc1ccc(C[N@@H+](C)Cc2ccccc2-c2nc(C(F)F)cc(=O)[nH]2)nc1 ZINC000023430421 837075300 /nfs/dbraw/zinc/07/53/00/837075300.db2.gz CZDATOXKUUVVIM-UHFFFAOYSA-N 1 1 384.430 3.964 50 0 GHAAMO COc1ccc2[nH]c3c(c2c1)CC[N@H+](C)C31CCN(C(=O)c2ccsc2)CC1 ZINC000257194895 839001809 /nfs/dbraw/zinc/00/18/09/839001809.db2.gz UWZQVPOOYZQTMD-UHFFFAOYSA-N 1 1 395.528 3.857 50 0 GHAAMO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](C)C31CCN(C(=O)c2ccsc2)CC1 ZINC000257194895 839001828 /nfs/dbraw/zinc/00/18/28/839001828.db2.gz UWZQVPOOYZQTMD-UHFFFAOYSA-N 1 1 395.528 3.857 50 0 GHAAMO Cc1ccc(NC(=O)N2CCCC[C@@H]2CC[NH+]2CCOCC2)c2cccnc12 ZINC000299789076 840782024 /nfs/dbraw/zinc/78/20/24/840782024.db2.gz WPTUMLSCOSOQGO-GOSISDBHSA-N 1 1 382.508 3.652 50 0 GHAAMO COc1cccc(C[N@H+]2CC[C@@H](Cc3nnc(-c4ccccc4)o3)C2)c1OC ZINC000675011974 840863200 /nfs/dbraw/zinc/86/32/00/840863200.db2.gz ZUPQZHOPZJWZJW-INIZCTEOSA-N 1 1 379.460 3.818 50 0 GHAAMO Cc1ccc(N2CCC(C(=O)Nc3cccc(N4CCCCC4=O)c3)CC2)[nH+]c1 ZINC000194144190 843760246 /nfs/dbraw/zinc/76/02/46/843760246.db2.gz MNMMXXVCVRTCCC-UHFFFAOYSA-N 1 1 392.503 3.762 50 0 GHAAMO Cc1c(Cl)cccc1NC(=S)N1CCC([N@@H+](C)C[C@@H]2CCCO2)CC1 ZINC000003058109 862152827 /nfs/dbraw/zinc/15/28/27/862152827.db2.gz BYSFEEMCOUSFBD-INIZCTEOSA-N 1 1 381.973 3.920 50 0 GHAAMO COc1ccc(NC(=S)N2CCC([N@@H+](C)C[C@@H]3CCCO3)CC2)cc1Cl ZINC000003058261 862152997 /nfs/dbraw/zinc/15/29/97/862152997.db2.gz CRWKWBYNLHFIFG-INIZCTEOSA-N 1 1 397.972 3.621 50 0 GHAAMO Cc1cc(Nc2nc3ccccc3nc2N2CC[NH+](C)CC2)n(-c2ccccc2)n1 ZINC000003289872 862310174 /nfs/dbraw/zinc/31/01/74/862310174.db2.gz MNUPJHMAWLZZRT-UHFFFAOYSA-N 1 1 399.502 3.619 50 0 GHAAMO O=C(Cc1ccc(C(F)(F)F)cc1)NCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000670469567 856026244 /nfs/dbraw/zinc/02/62/44/856026244.db2.gz HVVAAJTYZDCHIC-SFHVURJKSA-N 1 1 376.422 3.854 50 0 GHAAMO CN1CC[NH+](Cc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000040089744 856655129 /nfs/dbraw/zinc/65/51/29/856655129.db2.gz JOVAUVBWAHXLRI-UHFFFAOYSA-N 1 1 378.303 3.993 50 0 GHAAMO COc1ccccc1[C@@H](CNC(=O)c1cc(Br)ccc1F)[NH+](C)C ZINC000042670283 857419784 /nfs/dbraw/zinc/41/97/84/857419784.db2.gz JQJZDYBANSWXPF-MRXNPFEDSA-N 1 1 395.272 3.630 50 0 GHAAMO CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCC(Oc2ccccc2OC)CC1 ZINC000823118872 862934284 /nfs/dbraw/zinc/93/42/84/862934284.db2.gz RWJBVDBVTKUNES-OAQYLSRUSA-N 1 1 394.515 3.512 50 0 GHAAMO CCC(=O)N(C1CCOCC1)C1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000169760500 859730828 /nfs/dbraw/zinc/73/08/28/859730828.db2.gz VTSJVJNNMKAKDO-UHFFFAOYSA-N 1 1 382.907 3.861 50 0 GHAAMO Cc1ncsc1C[N@@H+]1CCC[C@H](COc2ccccc2C(=O)NC(C)C)C1 ZINC000169765107 859745726 /nfs/dbraw/zinc/74/57/26/859745726.db2.gz FUVQBZACIHAASG-KRWDZBQOSA-N 1 1 387.549 3.881 50 0 GHAAMO Fc1ccc(CN2CCC[C@]3(CC[N@@H+](Cc4ccc5nonc5c4)C3)C2)cc1 ZINC000012315070 859886790 /nfs/dbraw/zinc/88/67/90/859886790.db2.gz MAMBECPBBFABTG-QFIPXVFZSA-N 1 1 380.467 3.850 50 0 GHAAMO Fc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccc5nonc5c4)C3)C2)cc1 ZINC000012315070 859886802 /nfs/dbraw/zinc/88/68/02/859886802.db2.gz MAMBECPBBFABTG-QFIPXVFZSA-N 1 1 380.467 3.850 50 0 GHAAMO Fc1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4ccc5nonc5c4)C3)C2)cc1 ZINC000012315070 859886812 /nfs/dbraw/zinc/88/68/12/859886812.db2.gz MAMBECPBBFABTG-QFIPXVFZSA-N 1 1 380.467 3.850 50 0 GHAAMO Fc1ccc(CN2CCC[C@@]3(CC[N@@H+](Cc4ccc5nonc5c4)C3)C2)cc1 ZINC000012315069 859886922 /nfs/dbraw/zinc/88/69/22/859886922.db2.gz MAMBECPBBFABTG-JOCHJYFZSA-N 1 1 380.467 3.850 50 0 GHAAMO Fc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccc5nonc5c4)C3)C2)cc1 ZINC000012315069 859886932 /nfs/dbraw/zinc/88/69/32/859886932.db2.gz MAMBECPBBFABTG-JOCHJYFZSA-N 1 1 380.467 3.850 50 0 GHAAMO Fc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4ccc5nonc5c4)C3)C2)cc1 ZINC000012315069 859886946 /nfs/dbraw/zinc/88/69/46/859886946.db2.gz MAMBECPBBFABTG-JOCHJYFZSA-N 1 1 380.467 3.850 50 0 GHAAMO CCc1ccc2[nH]c(C)c(C[NH+]3CCN(Cc4ccccc4)CC3)c(=O)c2c1 ZINC000019792182 860369341 /nfs/dbraw/zinc/36/93/41/860369341.db2.gz HSUQHEFCSPSHPL-UHFFFAOYSA-N 1 1 375.516 3.717 50 0 GHAAMO CCc1ccc2[nH]c(C)c(CN3CC[NH+](Cc4ccccc4)CC3)c(=O)c2c1 ZINC000019792182 860369351 /nfs/dbraw/zinc/36/93/51/860369351.db2.gz HSUQHEFCSPSHPL-UHFFFAOYSA-N 1 1 375.516 3.717 50 0 GHAAMO CC(C)[C@@H]1C[C@@](CC(=O)N2CC[NH+](C)CC2)(Cc2ccccc2Cl)CCO1 ZINC000020625268 860622213 /nfs/dbraw/zinc/62/22/13/860622213.db2.gz CWBQNELCQASBAE-UNMCSNQZSA-N 1 1 392.971 3.868 50 0 GHAAMO O=C(C[C@@H](c1cccc(F)c1)n1cccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020998141 860692627 /nfs/dbraw/zinc/69/26/27/860692627.db2.gz RNFFXDPUOMYHJJ-QHCPKHFHSA-N 1 1 391.490 3.951 50 0 GHAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C2c3ccccc3Oc3ccccc32)C[C@@H](C)O1 ZINC000021055759 860705308 /nfs/dbraw/zinc/70/53/08/860705308.db2.gz NSBSZOGEGJQLOO-IAGOWNOFSA-N 1 1 394.515 3.928 50 0 GHAAMO O=C(NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000021487197 860806148 /nfs/dbraw/zinc/80/61/48/860806148.db2.gz CAXJOVGIZORJDI-UHFFFAOYSA-N 1 1 399.494 3.944 50 0 GHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)COCc1cc(-c2cccs2)on1 ZINC000021528137 860821872 /nfs/dbraw/zinc/82/18/72/860821872.db2.gz BMIRNQGNIYVWKN-QGZVFWFLSA-N 1 1 391.537 3.691 50 0 GHAAMO COC(=O)c1ccc(NC(=O)N2CCC(C[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000021718240 860923724 /nfs/dbraw/zinc/92/37/24/860923724.db2.gz YCJZALWNAHHSPX-CALCHBBNSA-N 1 1 387.524 3.695 50 0 GHAAMO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@@H+](Cc4cccc(C)n4)C3)C2=O)c1 ZINC000012387726 861101380 /nfs/dbraw/zinc/10/13/80/861101380.db2.gz AYHUBPCJBPFKSV-QHCPKHFHSA-N 1 1 397.494 3.552 50 0 GHAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=O)c2ccc(C)c(C)c2)CC1 ZINC000022460130 861126791 /nfs/dbraw/zinc/12/67/91/861126791.db2.gz CZMIZBYRPHMXEY-RXVVDRJESA-N 1 1 385.577 3.862 50 0 GHAAMO Clc1ccc2c(c1)C=C(C[N@H+](CCN1CCOCC1)Cc1ccco1)CO2 ZINC000825569593 864459861 /nfs/dbraw/zinc/45/98/61/864459861.db2.gz MFHURISDNIPBKY-UHFFFAOYSA-N 1 1 388.895 3.543 50 0 GHAAMO Clc1ccc2c(c1)C=C(C[N@@H+](CCN1CCOCC1)Cc1ccco1)CO2 ZINC000825569593 864459865 /nfs/dbraw/zinc/45/98/65/864459865.db2.gz MFHURISDNIPBKY-UHFFFAOYSA-N 1 1 388.895 3.543 50 0 GHAAMO Clc1ccc(-n2ccc(C[NH+]3CCC(OC[C@H]4CCCO4)CC3)n2)cc1 ZINC000184609872 864759274 /nfs/dbraw/zinc/75/92/74/864759274.db2.gz SSGIPXSZMXZHSQ-HXUWFJFHSA-N 1 1 375.900 3.686 50 0 GHAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2cnc(C3CCCCC3)nc2)C1)c1ccco1 ZINC000828189060 865232521 /nfs/dbraw/zinc/23/25/21/865232521.db2.gz WIMARUHVNXSJDT-QGZVFWFLSA-N 1 1 382.508 3.759 50 0 GHAAMO Cn1ccnc1-c1ccccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000828184295 865232587 /nfs/dbraw/zinc/23/25/87/865232587.db2.gz XHOFPYIFVSPCKW-SFHVURJKSA-N 1 1 392.478 3.621 50 0 GHAAMO Cn1ccnc1-c1ccccc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000828184295 865232601 /nfs/dbraw/zinc/23/26/01/865232601.db2.gz XHOFPYIFVSPCKW-SFHVURJKSA-N 1 1 392.478 3.621 50 0 GHAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cnc(C3CCCCC3)nc2)C1)c1ccco1 ZINC000828189059 865233117 /nfs/dbraw/zinc/23/31/17/865233117.db2.gz WIMARUHVNXSJDT-KRWDZBQOSA-N 1 1 382.508 3.759 50 0 GHAAMO CC[C@@H](C)[N@@H+](CCc1ccc2c(c1)CCO2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000173433534 865506966 /nfs/dbraw/zinc/50/69/66/865506966.db2.gz FUGHLUQCZAQFMT-MRXNPFEDSA-N 1 1 377.488 3.701 50 0 GHAAMO COc1cccc(C[N@H+]2CC[C@@H](n3c(C)cnc3-c3cccnc3)C2)c1OC ZINC000575549575 866190120 /nfs/dbraw/zinc/19/01/20/866190120.db2.gz NWQXDTZMRLGOKV-LJQANCHMSA-N 1 1 378.476 3.718 50 0 GHAAMO CN(C)C(=O)CCc1ccc2c(c1)C[N@H+](Cc1ccc3cc[nH]c3c1)CCO2 ZINC000581799866 869998199 /nfs/dbraw/zinc/99/81/99/869998199.db2.gz FDTUUQOSUXNGNR-UHFFFAOYSA-N 1 1 377.488 3.583 50 0 GHAAMO C[NH+]1CCN(Cc2ccc(CC3CCN(C(=O)c4ccsc4)CC3)cc2)CC1 ZINC000581810397 870043254 /nfs/dbraw/zinc/04/32/54/870043254.db2.gz QSFMAUVPHXVJAR-UHFFFAOYSA-N 1 1 397.588 3.590 50 0 GHAAMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)C1 ZINC000180154985 878571861 /nfs/dbraw/zinc/57/18/61/878571861.db2.gz QUEZNTRXUKZIER-OAHLLOKOSA-N 1 1 375.904 3.640 50 0 GHAAMO Cc1oc2nc(C[N@@H+](CC(C)C)C[C@H](O)c3ccc(F)cc3)nc(N)c2c1C ZINC000153960632 888962259 /nfs/dbraw/zinc/96/22/59/888962259.db2.gz XFOMVFUMFHDKRF-KRWDZBQOSA-N 1 1 386.471 3.753 50 0 GHAAMO COc1cc(-c2nc(C[N@@H+]3CC[C@H](Oc4cccnc4)C3)cs2)ccc1O ZINC000154662396 893325550 /nfs/dbraw/zinc/32/55/50/893325550.db2.gz QGSRTSQQXVDQAX-KRWDZBQOSA-N 1 1 383.473 3.573 50 0 GHAAMO COc1cc(-c2nc(C[N@H+]3CC[C@H](Oc4cccnc4)C3)cs2)ccc1O ZINC000154662396 893325568 /nfs/dbraw/zinc/32/55/68/893325568.db2.gz QGSRTSQQXVDQAX-KRWDZBQOSA-N 1 1 383.473 3.573 50 0 GHAAMO COc1cc2c(cc1OC)C[N@H+](Cc1ccc3cc(NC(C)=O)ccc3n1)CC2 ZINC000670444977 893383413 /nfs/dbraw/zinc/38/34/13/893383413.db2.gz DTVYHMBOZQUEMP-UHFFFAOYSA-N 1 1 391.471 3.769 50 0 GHAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc3cc(NC(C)=O)ccc3n1)CC2 ZINC000670444977 893383432 /nfs/dbraw/zinc/38/34/32/893383432.db2.gz DTVYHMBOZQUEMP-UHFFFAOYSA-N 1 1 391.471 3.769 50 0 GHAAMO COc1cc(-c2noc(C[N@H+]3CCCCC[C@@H]3CCO)n2)cc(Cl)c1OC ZINC000585081323 897052266 /nfs/dbraw/zinc/05/22/66/897052266.db2.gz DFRZYGBJXFAACH-CQSZACIVSA-N 1 1 395.887 3.534 50 0 GHAAMO Cc1cc2[nH]c(C(=O)Nc3ccc(F)c(F)c3)c(C[NH+]3CCOCC3)c2s1 ZINC000096363812 914434722 /nfs/dbraw/zinc/43/47/22/914434722.db2.gz ZSOHTKNOISPLQC-UHFFFAOYSA-N 1 1 391.443 3.901 50 0 GHAAMO CC(C)(CNC(=O)/C=C\c1ccc(Cl)c(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000096545187 914750160 /nfs/dbraw/zinc/75/01/60/914750160.db2.gz YYMRWPVXGFIMMO-XQRVVYSFSA-N 1 1 390.833 3.599 50 0 GHAAMO C[N@@H+](Cc1ccc(OCC(=O)NC(C)(C)C)cc1)[C@@H](c1ccccn1)C1CC1 ZINC000952966187 904644536 /nfs/dbraw/zinc/64/45/36/904644536.db2.gz DQVHAGIBDFGNGX-JOCHJYFZSA-N 1 1 381.520 3.958 50 0 GHAAMO Cc1cccc(N2CCC([N@H+]3CCCN(Cc4cccnc4)CC3)CC2)c1C ZINC000952979468 904659671 /nfs/dbraw/zinc/65/96/71/904659671.db2.gz TWJDQVMHTOOMMI-UHFFFAOYSA-N 1 1 378.564 3.875 50 0 GHAAMO Cc1cc2cccc(C(=O)NCC3CCN(c4[nH+]cnc5[nH]ccc54)CC3)c2o1 ZINC000952987989 904674793 /nfs/dbraw/zinc/67/47/93/904674793.db2.gz MVKOJSQKSUWFPD-UHFFFAOYSA-N 1 1 389.459 3.659 50 0 GHAAMO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000112350104 909234269 /nfs/dbraw/zinc/23/42/69/909234269.db2.gz GIDCAQXAXAPKHT-UHFFFAOYSA-N 1 1 398.894 3.507 50 0 GHAAMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000112350104 909234285 /nfs/dbraw/zinc/23/42/85/909234285.db2.gz GIDCAQXAXAPKHT-UHFFFAOYSA-N 1 1 398.894 3.507 50 0 GHAAMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)CC1 ZINC000126170024 916147554 /nfs/dbraw/zinc/14/75/54/916147554.db2.gz VBXJAWVEJYPJSM-IBGZPJMESA-N 1 1 399.560 3.979 50 0 GHAAMO COc1ccc(CN2C[C@@H]3C[C@@H](c4ccccc4OC)[N@H+]4CCC[C@@]34C2=O)cc1 ZINC000012757587 919302219 /nfs/dbraw/zinc/30/22/19/919302219.db2.gz LIYOJGLPDXRMGL-XZOYJPPVSA-N 1 1 392.499 3.642 50 0 GHAAMO COc1ccc(C[N@H+]2CCC(=O)N(CC3CCCCC3)CC2)c(Cl)c1OC ZINC000014958954 919349088 /nfs/dbraw/zinc/34/90/88/919349088.db2.gz FMFYKYWNOFUIBN-UHFFFAOYSA-N 1 1 394.943 3.972 50 0 GHAAMO COc1ccc(C[N@@H+]2CCC(=O)N(CC3CCCCC3)CC2)c(Cl)c1OC ZINC000014958954 919349109 /nfs/dbraw/zinc/34/91/09/919349109.db2.gz FMFYKYWNOFUIBN-UHFFFAOYSA-N 1 1 394.943 3.972 50 0 GHAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+]2C2CCN(C)CC2)cc1 ZINC000015071897 919360196 /nfs/dbraw/zinc/36/01/96/919360196.db2.gz UYHKAZPLZAVPQJ-QHCPKHFHSA-N 1 1 393.531 3.859 50 0 GHAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+]2C2CCN(C)CC2)cc1 ZINC000015071897 919360214 /nfs/dbraw/zinc/36/02/14/919360214.db2.gz UYHKAZPLZAVPQJ-QHCPKHFHSA-N 1 1 393.531 3.859 50 0 GHAAMO CCN1CCN(c2ccc(C[NH2+][C@@H](C)c3cc4ccncc4s3)cn2)CC1 ZINC000657839686 930489866 /nfs/dbraw/zinc/48/98/66/930489866.db2.gz YWFCBJJWVKWHKX-INIZCTEOSA-N 1 1 381.549 3.684 50 0 GHAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1sc(C)nc1C ZINC000409413817 231203680 /nfs/dbraw/zinc/20/36/80/231203680.db2.gz DWQGTRBCLFLDME-ZWKOTPCHSA-N 1 1 379.570 3.503 50 0 biogenic GHAAMO Cc1[nH+]ccn1CC1(CNC(=O)c2cccc(-c3ccc(F)cc3O)c2)CC1 ZINC000426510614 231232353 /nfs/dbraw/zinc/23/23/53/231232353.db2.gz KPUWQXFIDNAKEU-UHFFFAOYSA-N 1 1 379.435 3.913 50 0 GHAAMO CCOC(=O)c1c2cc(OC)c(Br)cc2n(C)c1C[NH+]1CCCC1 ZINC000000862844 212189924 /nfs/dbraw/zinc/18/99/24/212189924.db2.gz YXXWJBPMOQLGCR-UHFFFAOYSA-N 1 1 395.297 3.722 50 0 GHAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)NCc1ccc(Cl)cc1 ZINC000008318932 221037126 /nfs/dbraw/zinc/03/71/26/221037126.db2.gz VRSDZQLZPFIKBZ-GOSISDBHSA-N 1 1 386.879 3.565 50 0 GHAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)NCc1ccc(Cl)cc1 ZINC000008318932 221037128 /nfs/dbraw/zinc/03/71/28/221037128.db2.gz VRSDZQLZPFIKBZ-GOSISDBHSA-N 1 1 386.879 3.565 50 0 GHAAMO Cc1noc(C)c1COc1cccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000008351317 221038695 /nfs/dbraw/zinc/03/86/95/221038695.db2.gz BXNVZWPIKRJIIG-MRXNPFEDSA-N 1 1 385.508 3.865 50 0 GHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1c(C)c2c3occ(C)c3c(C)cc2oc1=O ZINC000008764873 221056724 /nfs/dbraw/zinc/05/67/24/221056724.db2.gz BKJHJRTVDZQRLQ-MRXNPFEDSA-N 1 1 396.487 3.607 50 0 biogenic GHAAMO COC(=O)c1ccccc1N(C)C(=O)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC000011286421 221113704 /nfs/dbraw/zinc/11/37/04/221113704.db2.gz LOVBXVSNEZXKHG-UHFFFAOYSA-N 1 1 376.456 3.721 50 0 GHAAMO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000011286421 221113708 /nfs/dbraw/zinc/11/37/08/221113708.db2.gz LOVBXVSNEZXKHG-UHFFFAOYSA-N 1 1 376.456 3.721 50 0 GHAAMO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CN1CCCCC1 ZINC000011661668 221118334 /nfs/dbraw/zinc/11/83/34/221118334.db2.gz CLOHCXZHBOTHMM-FQEVSTJZSA-N 1 1 391.987 3.539 50 0 GHAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)CN1CCCCC1 ZINC000011661668 221118336 /nfs/dbraw/zinc/11/83/36/221118336.db2.gz CLOHCXZHBOTHMM-FQEVSTJZSA-N 1 1 391.987 3.539 50 0 GHAAMO Cc1cc(C)c(CN2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)cc1C ZINC000011997511 221142541 /nfs/dbraw/zinc/14/25/41/221142541.db2.gz IWMIKGMQHIBEPT-DEOSSOPVSA-N 1 1 382.548 3.776 50 0 GHAAMO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(OC)cc3OC)C2)c1 ZINC000012074027 221147032 /nfs/dbraw/zinc/14/70/32/221147032.db2.gz DJZFXLIBNGLPRC-MRXNPFEDSA-N 1 1 399.487 3.816 50 0 GHAAMO COc1ccc(OC)c(C[N@H+]2CCC[C@@H](C(=O)c3ccc(OC)cc3OC)C2)c1 ZINC000012074027 221147034 /nfs/dbraw/zinc/14/70/34/221147034.db2.gz DJZFXLIBNGLPRC-MRXNPFEDSA-N 1 1 399.487 3.816 50 0 GHAAMO COc1cccc(C[C@]2(CO)CCC[N@@H+](Cc3c(C)nc4sccn34)C2)c1 ZINC000012300396 221177702 /nfs/dbraw/zinc/17/77/02/221177702.db2.gz UYRFGDHITYGYRV-OAQYLSRUSA-N 1 1 385.533 3.530 50 0 GHAAMO COc1cccc(C[C@@]2(CO)CCC[N@@H+](Cc3c(C)nc4sccn34)C2)c1 ZINC000012300394 221178261 /nfs/dbraw/zinc/17/82/61/221178261.db2.gz UYRFGDHITYGYRV-NRFANRHFSA-N 1 1 385.533 3.530 50 0 GHAAMO COc1ccc(C(=O)N(CCc2ccccc2)C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000012314382 221180290 /nfs/dbraw/zinc/18/02/90/221180290.db2.gz ZLSMGNWJGQHIGZ-FQEVSTJZSA-N 1 1 396.531 3.731 50 0 GHAAMO CCc1[nH+]ccn1CCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 ZINC000012317886 221181099 /nfs/dbraw/zinc/18/10/99/221181099.db2.gz OZVCSKUKXXOFQM-IBGZPJMESA-N 1 1 391.519 3.851 50 0 GHAAMO CCN(C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1C ZINC000012328536 221183132 /nfs/dbraw/zinc/18/31/32/221183132.db2.gz HOTKLRVKWZOWKP-LJQANCHMSA-N 1 1 379.504 3.699 50 0 GHAAMO CC(C)(C)C(=O)Nc1ccnn1C1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000012442692 221194730 /nfs/dbraw/zinc/19/47/30/221194730.db2.gz IPXKERCCHZYKKR-UHFFFAOYSA-N 1 1 376.451 3.983 50 0 GHAAMO CC[N@@H+](CCCn1cccn1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000012706036 221219063 /nfs/dbraw/zinc/21/90/63/221219063.db2.gz CLHLUBHFBMEXNC-QFIPXVFZSA-N 1 1 384.568 3.558 50 0 GHAAMO Cn1cc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000012707903 221219647 /nfs/dbraw/zinc/21/96/47/221219647.db2.gz QGKOONUBCIDEQG-GOSISDBHSA-N 1 1 390.487 3.577 50 0 GHAAMO Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(F)c2F)C3)cn1 ZINC000012709479 221219948 /nfs/dbraw/zinc/21/99/48/221219948.db2.gz MSVVNWLJJAIMKR-JOCHJYFZSA-N 1 1 385.458 3.797 50 0 GHAAMO Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(F)c2F)C3)cn1 ZINC000012709479 221219950 /nfs/dbraw/zinc/21/99/50/221219950.db2.gz MSVVNWLJJAIMKR-JOCHJYFZSA-N 1 1 385.458 3.797 50 0 GHAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1Cl ZINC000012745398 221224122 /nfs/dbraw/zinc/22/41/22/221224122.db2.gz XTMXYLYLPIFSMT-DLBZAZTESA-N 1 1 399.922 3.868 50 0 GHAAMO C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000012758233 221227292 /nfs/dbraw/zinc/22/72/92/221227292.db2.gz LXKJLXRGLOWAKI-CQSZACIVSA-N 1 1 391.874 3.569 50 0 GHAAMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000012758233 221227294 /nfs/dbraw/zinc/22/72/94/221227294.db2.gz LXKJLXRGLOWAKI-CQSZACIVSA-N 1 1 391.874 3.569 50 0 GHAAMO Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1C ZINC000012772413 221229290 /nfs/dbraw/zinc/22/92/90/221229290.db2.gz XIXNYMLXDHIEDG-TZIWHRDSSA-N 1 1 393.531 3.831 50 0 GHAAMO C[N@H+](CCC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1C(F)(F)F 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GHAAMO CC[N@@H+]1CCc2nc(NC(=O)Cc3nc(-c4ccccc4)oc3C)sc2C1 ZINC000032900019 221745383 /nfs/dbraw/zinc/74/53/83/221745383.db2.gz IZAYZQDEIGDRPK-UHFFFAOYSA-N 1 1 382.489 3.666 50 0 GHAAMO CC[N@H+]1CCc2nc(NC(=O)Cc3nc(-c4ccccc4)oc3C)sc2C1 ZINC000032900019 221745387 /nfs/dbraw/zinc/74/53/87/221745387.db2.gz IZAYZQDEIGDRPK-UHFFFAOYSA-N 1 1 382.489 3.666 50 0 GHAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000057421397 222031294 /nfs/dbraw/zinc/03/12/94/222031294.db2.gz QEBZYWQOUDPXSM-JKSUJKDBSA-N 1 1 387.911 3.751 50 0 GHAAMO Cc1ccc([C@H]([NH2+]CC(=O)Nc2sccc2C(N)=O)c2cccs2)cc1 ZINC000057471040 222033404 /nfs/dbraw/zinc/03/34/04/222033404.db2.gz DMSSMTMVNBACSC-KRWDZBQOSA-N 1 1 385.514 3.535 50 0 GHAAMO Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2Cl)cc1 ZINC000057452192 222033927 /nfs/dbraw/zinc/03/39/27/222033927.db2.gz KHNJKTJMNOHDCV-CVEARBPZSA-N 1 1 387.911 3.785 50 0 GHAAMO Cc1ccc([C@H](NC(=O)N2CC[NH+](C)CC2)C(Cl)(Cl)Cl)cc1F ZINC000057531543 222035591 /nfs/dbraw/zinc/03/55/91/222035591.db2.gz MNCYCMKREROVDB-ZDUSSCGKSA-N 1 1 382.694 3.502 50 0 GHAAMO COc1cc2nc(C[NH2+][C@H](C)c3ccc4c(c3)CCCC4)[nH]c(=O)c2cc1OC ZINC000049581080 222000694 /nfs/dbraw/zinc/00/06/94/222000694.db2.gz ABYBALSPIOXTJY-CQSZACIVSA-N 1 1 393.487 3.670 50 0 GHAAMO COc1cc2nc(C[NH2+][C@@H](C)c3ccc4ccccc4c3)[nH]c(=O)c2cc1OC ZINC000049609453 222000994 /nfs/dbraw/zinc/00/09/94/222000994.db2.gz BNVQFDTZSHFSHY-AWEZNQCLSA-N 1 1 389.455 3.944 50 0 GHAAMO C[C@@H](CCc1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000054967112 222014902 /nfs/dbraw/zinc/01/49/02/222014902.db2.gz SBELNCDVOOOJFD-KRWDZBQOSA-N 1 1 392.952 3.668 50 0 GHAAMO Cc1c(C[N@H+]2CCC[C@H](Nc3cccc(F)c3)C2)c(=O)n(-c2ccccc2)n1C ZINC000055368583 222019985 /nfs/dbraw/zinc/01/99/85/222019985.db2.gz CUUDTGYJVQWHMY-FQEVSTJZSA-N 1 1 394.494 3.700 50 0 GHAAMO Cc1occc1C(=O)Nc1ccc(C(=O)N(C)CC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000055309125 222020022 /nfs/dbraw/zinc/02/00/22/222020022.db2.gz WKMBXRSVERCTMP-MRXNPFEDSA-N 1 1 383.492 3.787 50 0 GHAAMO C[N@@H+](Cc1ccc(C(=O)Nc2ccc3c(c2)CCC3=O)cc1)C1CCOCC1 ZINC000065366178 222125815 /nfs/dbraw/zinc/12/58/15/222125815.db2.gz RYJWLTQMMULJAE-UHFFFAOYSA-N 1 1 378.472 3.679 50 0 GHAAMO O=c1oc2ccccc2n1CC[N@H+]1CC[C@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065380241 222127183 /nfs/dbraw/zinc/12/71/83/222127183.db2.gz SIXXJIZDEFSWCG-IBGZPJMESA-N 1 1 386.455 3.541 50 0 GHAAMO CCN(CC)C(=O)C[N@@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067675977 222153682 /nfs/dbraw/zinc/15/36/82/222153682.db2.gz WFQPEQDJTYVCSV-UHFFFAOYSA-N 1 1 388.515 3.970 50 0 GHAAMO CCN(CC)C(=O)C[N@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067675977 222153685 /nfs/dbraw/zinc/15/36/85/222153685.db2.gz WFQPEQDJTYVCSV-UHFFFAOYSA-N 1 1 388.515 3.970 50 0 GHAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCCO)cc2)C1 ZINC000067934657 222169694 /nfs/dbraw/zinc/16/96/94/222169694.db2.gz CJECDXUNPNLIQM-SFHVURJKSA-N 1 1 385.529 3.875 50 0 GHAAMO O=C([C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4s3)CC2)C1)N1CCCC1 ZINC000071551840 222184972 /nfs/dbraw/zinc/18/49/72/222184972.db2.gz XRYYXSJKCBNJDA-QGZVFWFLSA-N 1 1 398.576 3.600 50 0 GHAAMO CC(C)[C@@H]1CN(C(=O)c2cnn(C(C)C)c2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000072157672 222213448 /nfs/dbraw/zinc/21/34/48/222213448.db2.gz ZRGFLQZCBIPGOD-NRFANRHFSA-N 1 1 386.515 3.976 50 0 GHAAMO Cc1ccc(-n2cc(C[N@@H+]3CCC(=O)NC[C@H]3C)c(-c3cccc(C)c3)n2)cc1 ZINC000072480335 222266450 /nfs/dbraw/zinc/26/64/50/222266450.db2.gz GPJLYARKIQMWNH-LJQANCHMSA-N 1 1 388.515 3.867 50 0 GHAAMO Cc1cc2nc(-c3ccccc3)cc(N3CCC[N@@H+](Cc4ccccn4)CC3)n2n1 ZINC000072481607 222266756 /nfs/dbraw/zinc/26/67/56/222266756.db2.gz VIHXXNTYMRCTHQ-UHFFFAOYSA-N 1 1 398.514 3.812 50 0 GHAAMO Cc1ccccc1-c1nc2cc3c(cc2cc1C[N@H+]1CCC[C@H]1CO)OCO3 ZINC000072428533 222258925 /nfs/dbraw/zinc/25/89/25/222258925.db2.gz NZRQZQXWFPBDQT-SFHVURJKSA-N 1 1 376.456 3.896 50 0 GHAAMO CC(=O)N[C@H]1CC[N@@H+](Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000072431635 222260611 /nfs/dbraw/zinc/26/06/11/222260611.db2.gz ASVKWCOLCSOXFU-NRFANRHFSA-N 1 1 392.478 3.697 50 0 GHAAMO CCc1ncc(C[N@H+]2CCCC23CCN(c2nc4ccccc4o2)CC3)cn1 ZINC000072473997 222265205 /nfs/dbraw/zinc/26/52/05/222265205.db2.gz UOFFVPBLLIQVPQ-UHFFFAOYSA-N 1 1 377.492 3.815 50 0 GHAAMO COc1ccc(CCNC(=O)C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000089442314 222326742 /nfs/dbraw/zinc/32/67/42/222326742.db2.gz KWAIVHFJFWKZHR-UHFFFAOYSA-N 1 1 389.499 3.625 50 0 GHAAMO COc1ccc(CCNC(=O)C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000089442314 222326748 /nfs/dbraw/zinc/32/67/48/222326748.db2.gz KWAIVHFJFWKZHR-UHFFFAOYSA-N 1 1 389.499 3.625 50 0 GHAAMO CCCCOC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000095502004 222334669 /nfs/dbraw/zinc/33/46/69/222334669.db2.gz QDSFZTVGBXXQOR-QGZVFWFLSA-N 1 1 384.480 3.768 50 0 GHAAMO COc1ccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](CCCc2ccccc2)C3)cc1O ZINC000095512218 222341685 /nfs/dbraw/zinc/34/16/85/222341685.db2.gz QZGVFCWYKNKQDQ-FCHUYYIVSA-N 1 1 380.532 3.930 50 0 GHAAMO O=C(c1ccccc1Cl)N1CC[NH+](CCn2ccnc2-c2ccccc2)CC1 ZINC000077158876 222274357 /nfs/dbraw/zinc/27/43/57/222274357.db2.gz DVIKHQQQRCVOSA-UHFFFAOYSA-N 1 1 394.906 3.662 50 0 GHAAMO CC(=O)N[C@@H]1C[N@@H+](Cc2cncn2C2CCCCC2)C[C@H]1c1ccc(C)cc1 ZINC000077471792 222283647 /nfs/dbraw/zinc/28/36/47/222283647.db2.gz XWHOUZFBQVYPEX-XZOQPEGZSA-N 1 1 380.536 3.801 50 0 GHAAMO CC[NH+]1CCC([NH+]2CCC(Oc3ccc4ccccc4c3)(C(=O)[O-])CC2)CC1 ZINC000082109367 222308814 /nfs/dbraw/zinc/30/88/14/222308814.db2.gz WJHNFQZCYCECJD-UHFFFAOYSA-N 1 1 382.504 3.622 50 0 GHAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc3nonc32)C1)c1ccccc1Cl ZINC000095529994 222352348 /nfs/dbraw/zinc/35/23/48/222352348.db2.gz LDXIRLUHHCBEQB-AWEZNQCLSA-N 1 1 384.867 3.518 50 0 GHAAMO CCCC[C@@H]1C[N@@H+](CCC(=O)N[C@H](C)Cc2ccccn2)Cc2ccccc2O1 ZINC000104512664 222501560 /nfs/dbraw/zinc/50/15/60/222501560.db2.gz ILDGQHAYDOUUGC-DENIHFKCSA-N 1 1 395.547 3.972 50 0 GHAAMO C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000008185976 524287831 /nfs/dbraw/zinc/28/78/31/524287831.db2.gz BZRACGCDWLJXBO-WCQYABFASA-N 1 1 389.546 3.561 50 0 GHAAMO C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000008185976 524287841 /nfs/dbraw/zinc/28/78/41/524287841.db2.gz BZRACGCDWLJXBO-WCQYABFASA-N 1 1 389.546 3.561 50 0 GHAAMO O=C([C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCCCCCC1 ZINC000082098946 526467385 /nfs/dbraw/zinc/46/73/85/526467385.db2.gz NNARMSWJVHMLGQ-JOCHJYFZSA-N 1 1 398.595 3.551 50 0 GHAAMO O=C(c1cc(F)ccc1F)[C@H]1CCC[N@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000019758840 570216340 /nfs/dbraw/zinc/21/63/40/570216340.db2.gz NCCHJIFOUINBBT-INIZCTEOSA-N 1 1 399.441 3.589 50 0 GHAAMO O=C(c1cc(F)ccc1F)[C@H]1CCC[N@@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000019758840 570216343 /nfs/dbraw/zinc/21/63/43/570216343.db2.gz NCCHJIFOUINBBT-INIZCTEOSA-N 1 1 399.441 3.589 50 0 GHAAMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000047938069 570217258 /nfs/dbraw/zinc/21/72/58/570217258.db2.gz GJKHVAPVJQARJD-MRXNPFEDSA-N 1 1 385.471 3.868 50 0 GHAAMO COc1cc(OC)cc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000019832006 570223641 /nfs/dbraw/zinc/22/36/41/570223641.db2.gz COKZLQIGQOVNOJ-UHFFFAOYSA-N 1 1 390.483 3.815 50 0 GHAAMO COc1cccc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1OC ZINC000019880260 570226952 /nfs/dbraw/zinc/22/69/52/570226952.db2.gz VDYPKRLYURVQLL-UHFFFAOYSA-N 1 1 390.483 3.815 50 0 GHAAMO Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H](CC(C)(C)C)c2ccccc2)CC1 ZINC000048303217 570231585 /nfs/dbraw/zinc/23/15/85/570231585.db2.gz PRPQNTUWWUCYKZ-HXUWFJFHSA-N 1 1 382.552 3.926 50 0 GHAAMO COc1cc(C[NH2+]Cc2ccc(Br)cc2F)cc(OC)c1OC ZINC000048301160 570234480 /nfs/dbraw/zinc/23/44/80/570234480.db2.gz VZJSCSHYUYYNDE-UHFFFAOYSA-N 1 1 384.245 3.904 50 0 GHAAMO O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1C[NH+]1CCOCC1 ZINC000019997746 570234641 /nfs/dbraw/zinc/23/46/41/570234641.db2.gz MFMXUKBZTRUKOS-UHFFFAOYSA-N 1 1 399.288 3.790 50 0 GHAAMO CC(C)[N@@H+](C)Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000048312795 570236558 /nfs/dbraw/zinc/23/65/58/570236558.db2.gz LYRISIVGIWUVLU-UHFFFAOYSA-N 1 1 384.904 3.798 50 0 GHAAMO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2F)cc1 ZINC000048341522 570239621 /nfs/dbraw/zinc/23/96/21/570239621.db2.gz SOEORXYEYNMNLX-AWEZNQCLSA-N 1 1 382.476 3.846 50 0 GHAAMO Clc1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCOCC4)c3n2)cc1 ZINC000020149333 570244272 /nfs/dbraw/zinc/24/42/72/570244272.db2.gz FPFANVIOIURNGI-UHFFFAOYSA-N 1 1 380.879 3.942 50 0 GHAAMO C[N@@H+]1CCN(C(=O)c2cc(-c3cn[nH]c3)nc3ccccc32)[C@@H](c2ccccc2)C1 ZINC000020203559 570247325 /nfs/dbraw/zinc/24/73/25/570247325.db2.gz QTJOIPSTHQILSM-HSZRJFAPSA-N 1 1 397.482 3.754 50 0 GHAAMO C[N@H+]1CCN(C(=O)c2cc(-c3cn[nH]c3)nc3ccccc32)[C@@H](c2ccccc2)C1 ZINC000020203559 570247328 /nfs/dbraw/zinc/24/73/28/570247328.db2.gz QTJOIPSTHQILSM-HSZRJFAPSA-N 1 1 397.482 3.754 50 0 GHAAMO COCC[NH+]1CCN(C(=O)C[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020204674 570247651 /nfs/dbraw/zinc/24/76/51/570247651.db2.gz MMWZHKIMFFNQGD-OAQYLSRUSA-N 1 1 386.923 3.653 50 0 GHAAMO CC(C)(C)C[N@H+]1CCN(Cc2nc(-c3ccc(F)cc3)cs2)C[C@H]1CCO ZINC000104414154 570257684 /nfs/dbraw/zinc/25/76/84/570257684.db2.gz GOUYUKOYEGKQEP-GOSISDBHSA-N 1 1 391.556 3.864 50 0 GHAAMO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1Cl ZINC000012850476 570265876 /nfs/dbraw/zinc/26/58/76/570265876.db2.gz RQQIJQVHUHBMMC-OAHLLOKOSA-N 1 1 383.883 3.861 50 0 GHAAMO Cc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1Cl ZINC000012850476 570265880 /nfs/dbraw/zinc/26/58/80/570265880.db2.gz RQQIJQVHUHBMMC-OAHLLOKOSA-N 1 1 383.883 3.861 50 0 GHAAMO Fc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3c(F)cccc3F)C2)CC1 ZINC000020536543 570266181 /nfs/dbraw/zinc/26/61/81/570266181.db2.gz YKWHFRURSCTLOK-KRWDZBQOSA-N 1 1 389.465 3.891 50 0 GHAAMO CCCn1ncc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)c1C ZINC000020540911 570266778 /nfs/dbraw/zinc/26/67/78/570266778.db2.gz MLSSBZGGQDKQLM-HSZRJFAPSA-N 1 1 395.595 3.697 50 0 GHAAMO CCCn1ncc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)c1C ZINC000020540911 570266781 /nfs/dbraw/zinc/26/67/81/570266781.db2.gz MLSSBZGGQDKQLM-HSZRJFAPSA-N 1 1 395.595 3.697 50 0 GHAAMO CCOc1ccc(C(=O)c2cnc3ccccc3c2N2CC[NH+](C)CC2)cc1 ZINC000005997219 570275164 /nfs/dbraw/zinc/27/51/64/570275164.db2.gz MMTCZUUMVNTLSO-UHFFFAOYSA-N 1 1 375.472 3.616 50 0 GHAAMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1F ZINC000035271201 570280194 /nfs/dbraw/zinc/28/01/94/570280194.db2.gz SGWOTDFKCFXPOJ-IRXDYDNUSA-N 1 1 383.467 3.812 50 0 GHAAMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1F ZINC000035271201 570280195 /nfs/dbraw/zinc/28/01/95/570280195.db2.gz SGWOTDFKCFXPOJ-IRXDYDNUSA-N 1 1 383.467 3.812 50 0 GHAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(Cc3cnc(C)s3)C2)cc1OC ZINC000020785781 570280342 /nfs/dbraw/zinc/28/03/42/570280342.db2.gz PPGGVLVOBBABKC-GOSISDBHSA-N 1 1 389.565 3.608 50 0 GHAAMO CC(=O)c1ccc(N2C(=O)C[C@H](Nc3ccc([NH+]4CCCCC4)cc3)C2=O)cc1 ZINC000101129607 570281150 /nfs/dbraw/zinc/28/11/50/570281150.db2.gz YOYZPLSWEKQZSV-NRFANRHFSA-N 1 1 391.471 3.624 50 0 GHAAMO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1ccco1 ZINC000021309209 570290045 /nfs/dbraw/zinc/29/00/45/570290045.db2.gz LPFLEVTVOBMQPO-OAQYLSRUSA-N 1 1 386.455 3.923 50 0 GHAAMO Cc1ccc(C)c(NC(=O)[C@H]([NH2+]CCC(=O)N2CCCC2)c2ccccc2)c1 ZINC000021793582 570295833 /nfs/dbraw/zinc/29/58/33/570295833.db2.gz YRORMOKWBOMJQA-JOCHJYFZSA-N 1 1 379.504 3.585 50 0 GHAAMO COc1cccc([C@H]2CC[N@@H+](Cc3cnc(-c4ccccn4)nc3)C2)c1OC ZINC000216221303 570297258 /nfs/dbraw/zinc/29/72/58/570297258.db2.gz IEUJWVYNWAOFEC-KRWDZBQOSA-N 1 1 376.460 3.545 50 0 GHAAMO C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000022436625 570317089 /nfs/dbraw/zinc/31/70/89/570317089.db2.gz OYFGXGIKTPHNAL-MRXNPFEDSA-N 1 1 387.911 3.733 50 0 GHAAMO Cc1sc2ncnc(NC[C@@H](c3cccs3)[NH+]3CCN(C)CC3)c2c1C ZINC000022804244 570328994 /nfs/dbraw/zinc/32/89/94/570328994.db2.gz PSHMRZGAYJGECQ-HNNXBMFYSA-N 1 1 387.578 3.770 50 0 GHAAMO Cc1sc2ncnc(NC[C@@H](c3cccs3)N3CC[NH+](C)CC3)c2c1C ZINC000022804244 570328998 /nfs/dbraw/zinc/32/89/98/570328998.db2.gz PSHMRZGAYJGECQ-HNNXBMFYSA-N 1 1 387.578 3.770 50 0 GHAAMO COc1ccc2[nH]c(CN3CC[N@H+](C4CCCCC4)[C@@H](CCO)C3)c(C)c2c1 ZINC000023146152 570347062 /nfs/dbraw/zinc/34/70/62/570347062.db2.gz CIMMBEIVEKZECO-IBGZPJMESA-N 1 1 385.552 3.686 50 0 GHAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000023373098 570357933 /nfs/dbraw/zinc/35/79/33/570357933.db2.gz WJSUFDDYUIGIBG-OAQYLSRUSA-N 1 1 383.511 3.621 50 0 GHAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000023373098 570357935 /nfs/dbraw/zinc/35/79/35/570357935.db2.gz WJSUFDDYUIGIBG-OAQYLSRUSA-N 1 1 383.511 3.621 50 0 GHAAMO Cc1nc2ccc(C(=O)N3CC[C@@]4(C3)CCC[N@@H+](CC3CC3)C4)cc2nc1C ZINC000023380056 570359584 /nfs/dbraw/zinc/35/95/84/570359584.db2.gz CBPAACAGJIOGLD-QHCPKHFHSA-N 1 1 378.520 3.585 50 0 GHAAMO COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000004302300 570366846 /nfs/dbraw/zinc/36/68/46/570366846.db2.gz UEFCNZQFBKWAOH-LJQANCHMSA-N 1 1 383.517 3.920 50 0 GHAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)C[C@H](C)O1 ZINC000024965410 570400331 /nfs/dbraw/zinc/40/03/31/570400331.db2.gz DXSKAWFPOUMWHN-HDICACEKSA-N 1 1 391.515 3.750 50 0 GHAAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)C[C@H](C)O1 ZINC000024965410 570400335 /nfs/dbraw/zinc/40/03/35/570400335.db2.gz DXSKAWFPOUMWHN-HDICACEKSA-N 1 1 391.515 3.750 50 0 GHAAMO c1cc(C[NH+]2CCOCC2)ccc1CNc1ncnc2sc3c(c21)CCC3 ZINC000025539700 570415721 /nfs/dbraw/zinc/41/57/21/570415721.db2.gz YRMZNBKSGQZSDC-UHFFFAOYSA-N 1 1 380.517 3.624 50 0 GHAAMO O=C(CC[N@H+]1CCC[C@H]1C(=O)NCc1ccco1)Nc1cccc2ccccc21 ZINC000026134690 570422597 /nfs/dbraw/zinc/42/25/97/570422597.db2.gz HSDADUFUCQDMNY-NRFANRHFSA-N 1 1 391.471 3.542 50 0 GHAAMO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000243914716 570432755 /nfs/dbraw/zinc/43/27/55/570432755.db2.gz BJWLIQNCLGRWFV-GNLZIIPMSA-N 1 1 388.596 3.643 50 0 GHAAMO Nc1ccc(-c2nc(NCCC[NH+]3CCOCC3)cc(-c3cccs3)n2)cc1 ZINC000028359304 570458689 /nfs/dbraw/zinc/45/86/89/570458689.db2.gz ZQMLFIAYPDEONI-UHFFFAOYSA-N 1 1 395.532 3.589 50 0 GHAAMO COc1cc(OC)c(OC)cc1CN1CC[N@H+]2CCC[C@@H]2[C@H]1C1CCCCC1 ZINC000584904400 570504984 /nfs/dbraw/zinc/50/49/84/570504984.db2.gz DWGVCDGPCJUNBN-AUSIDOKSSA-N 1 1 388.552 3.941 50 0 GHAAMO CC[N@@H+](CC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C)C[C@H](O)c1ccc(C)cc1 ZINC000072304970 570515100 /nfs/dbraw/zinc/51/51/00/570515100.db2.gz PYIYUMSDBPBNDI-LADGPHEKSA-N 1 1 398.547 3.872 50 0 GHAAMO CC[N@H+](CC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C)C[C@H](O)c1ccc(C)cc1 ZINC000072304970 570515103 /nfs/dbraw/zinc/51/51/03/570515103.db2.gz PYIYUMSDBPBNDI-LADGPHEKSA-N 1 1 398.547 3.872 50 0 GHAAMO CC[C@H]1c2ccsc2CC[N@H+]1C[C@H](O)COc1ccc(C(C)=O)cc1OC ZINC000034889306 570546624 /nfs/dbraw/zinc/54/66/24/570546624.db2.gz WKIHARWFHLFMAR-WMZOPIPTSA-N 1 1 389.517 3.708 50 0 GHAAMO CC[C@H]1c2ccsc2CC[N@@H+]1C[C@H](O)COc1ccc(C(C)=O)cc1OC ZINC000034889306 570546628 /nfs/dbraw/zinc/54/66/28/570546628.db2.gz WKIHARWFHLFMAR-WMZOPIPTSA-N 1 1 389.517 3.708 50 0 GHAAMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Br)cc1F ZINC000097592195 570554618 /nfs/dbraw/zinc/55/46/18/570554618.db2.gz MFYVTLNLZCCDNB-AWEZNQCLSA-N 1 1 391.284 3.935 50 0 GHAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Br)cc1F ZINC000097592195 570554619 /nfs/dbraw/zinc/55/46/19/570554619.db2.gz MFYVTLNLZCCDNB-AWEZNQCLSA-N 1 1 391.284 3.935 50 0 GHAAMO C[C@@H](c1ccsc1)[NH+]1CCN([C@@H](C)c2ncc(Br)cn2)CC1 ZINC000225521560 570583272 /nfs/dbraw/zinc/58/32/72/570583272.db2.gz LILQXJIADQAFFK-STQMWFEESA-N 1 1 381.343 3.740 50 0 GHAAMO CC[C@H](C)[N@H+](Cc1cc(OC)cc(OC)c1)C[C@@H](O)COCc1ccccc1 ZINC000169679475 570600733 /nfs/dbraw/zinc/60/07/33/570600733.db2.gz COKNMSMXURZPFI-GHTZIAJQSA-N 1 1 387.520 3.882 50 0 GHAAMO COc1cccc(NC(=O)N2CCC(C[N@H+]3CCc4ccccc4C3)CC2)c1 ZINC000006877302 570666523 /nfs/dbraw/zinc/66/65/23/570666523.db2.gz LJNLXFRUZQEIBF-UHFFFAOYSA-N 1 1 379.504 3.997 50 0 GHAAMO COc1ccc(C)cc1NC(=O)N1CCC[C@@H]([N@@H+](C)CCc2ccccn2)C1 ZINC000012449537 570668240 /nfs/dbraw/zinc/66/82/40/570668240.db2.gz UZJSPXITJLGFIY-LJQANCHMSA-N 1 1 382.508 3.569 50 0 GHAAMO CCCC[N@@H+](CC)CCNC(=O)c1ccc(C[S@](=O)c2ccc(F)cc2)o1 ZINC000006895673 570692984 /nfs/dbraw/zinc/69/29/84/570692984.db2.gz WBPPUGXPFWSMHA-HHHXNRCGSA-N 1 1 394.512 3.578 50 0 GHAAMO Cc1cc(Cl)ccc1N1CC[NH+](CCNC(=O)Nc2ccc(F)cc2)CC1 ZINC000055545172 570696521 /nfs/dbraw/zinc/69/65/21/570696521.db2.gz BTUKHBSXSGLVLM-UHFFFAOYSA-N 1 1 390.890 3.731 50 0 GHAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccccc2F)c1 ZINC000012795377 570715625 /nfs/dbraw/zinc/71/56/25/570715625.db2.gz SGGXWWUELLPWLD-HXUWFJFHSA-N 1 1 386.467 3.638 50 0 GHAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccccc2F)c1 ZINC000012795377 570715626 /nfs/dbraw/zinc/71/56/26/570715626.db2.gz SGGXWWUELLPWLD-HXUWFJFHSA-N 1 1 386.467 3.638 50 0 GHAAMO C[NH+]1CCN(C(=O)c2ccc(-c3ccc(N4CCCCCC4)nc3)cc2)CC1 ZINC000065178233 570723934 /nfs/dbraw/zinc/72/39/34/570723934.db2.gz GWQZJUNARUOMNU-UHFFFAOYSA-N 1 1 378.520 3.517 50 0 GHAAMO C[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1ccccc1N1CCCCC1 ZINC000032806094 570822718 /nfs/dbraw/zinc/82/27/18/570822718.db2.gz QBCKCQUWTCEZPR-UHFFFAOYSA-N 1 1 396.922 3.970 50 0 GHAAMO CCCc1ncc(C[N@H+]2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000072145451 570871165 /nfs/dbraw/zinc/87/11/65/570871165.db2.gz ZSNPXPBFXIRAGX-YMPZKCBVSA-N 1 1 380.511 3.630 50 0 GHAAMO CCCc1ncc(CN2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000072145451 570871167 /nfs/dbraw/zinc/87/11/67/570871167.db2.gz ZSNPXPBFXIRAGX-YMPZKCBVSA-N 1 1 380.511 3.630 50 0 GHAAMO O=C1[C@H]2[C@H]3CCC[N@H+]3[C@@H](c3ccc4ccccc4n3)[C@H]2C(=O)N1c1ccccc1 ZINC000103020479 570873551 /nfs/dbraw/zinc/87/35/51/570873551.db2.gz RKOONEMLJYTHIL-MLNNCEHLSA-N 1 1 383.451 3.560 50 0 GHAAMO C[C@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015044210 570873751 /nfs/dbraw/zinc/87/37/51/570873751.db2.gz BCOZCHIFQIFKFD-OAHLLOKOSA-N 1 1 391.471 3.795 50 0 GHAAMO COc1cccc(-c2cccc(C(=O)NC[C@H]3CC[N@H+](C4CCCC4)C3)c2)n1 ZINC000299779033 570894934 /nfs/dbraw/zinc/89/49/34/570894934.db2.gz RMVZNQXMCCEKSA-QGZVFWFLSA-N 1 1 379.504 3.752 50 0 GHAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=S)Nc2ccccc2)CC1 ZINC000022457019 570896510 /nfs/dbraw/zinc/89/65/10/570896510.db2.gz KRADHUQCGOYLCW-LPHOPBHVSA-N 1 1 388.606 3.802 50 0 GHAAMO CC(=O)N[C@@H](CC(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2)c1ccccc1 ZINC000089840215 570916762 /nfs/dbraw/zinc/91/67/62/570916762.db2.gz KXCTVGMPJBMFPW-QFIPXVFZSA-N 1 1 379.504 3.864 50 0 GHAAMO CC[NH+](CC)[C@@H](C(=O)NCCCn1ccnc1)c1cc(Cl)cc(Cl)c1 ZINC000089967853 570921870 /nfs/dbraw/zinc/92/18/70/570921870.db2.gz GOKJCOIBBIYEIK-QGZVFWFLSA-N 1 1 383.323 3.779 50 0 GHAAMO COc1ccc(OCCOC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000032936225 570948440 /nfs/dbraw/zinc/94/84/40/570948440.db2.gz GVFKVSVFOKHKSM-HDICACEKSA-N 1 1 399.487 3.540 50 0 GHAAMO COc1ccc(OCCOC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000032936225 570948445 /nfs/dbraw/zinc/94/84/45/570948445.db2.gz GVFKVSVFOKHKSM-HDICACEKSA-N 1 1 399.487 3.540 50 0 GHAAMO CC1=C(CC[N@@H+]2CC[C@@H](N(C)CCc3ccccn3)[C@H](O)C2)C(C)(C)CCC1 ZINC000019227770 570964507 /nfs/dbraw/zinc/96/45/07/570964507.db2.gz TZRBFSXMMIPFDZ-DHIUTWEWSA-N 1 1 385.596 3.908 50 0 GHAAMO Cc1oc(-c2ccccc2)nc1CC(=O)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000091255304 571001858 /nfs/dbraw/zinc/00/18/58/571001858.db2.gz FMVLDLHKNZEAIC-UYAOXDASSA-N 1 1 379.504 3.525 50 0 GHAAMO COc1ccc2[nH]c(C(=O)N3C[C@H]4CC[C@H](C[N@@H+]4CC4CCC4)C3)c(C)c2c1 ZINC000091518908 571012273 /nfs/dbraw/zinc/01/22/73/571012273.db2.gz PHELPSKHWGFVCX-QZTJIDSGSA-N 1 1 381.520 3.821 50 0 GHAAMO Cc1nc(C(C)C)sc1C(=O)NCC1([NH+]2CCOCC2)CCCCCC1 ZINC000091536398 571013003 /nfs/dbraw/zinc/01/30/03/571013003.db2.gz CNVPFZQYXDONLW-UHFFFAOYSA-N 1 1 379.570 3.730 50 0 GHAAMO C[N@H+](Cc1cc(-c2ccccn2)no1)Cc1cc(=O)c2cccc(Cl)c2[nH]1 ZINC000091595694 571016755 /nfs/dbraw/zinc/01/67/55/571016755.db2.gz MHHLIZLIHLDCJD-UHFFFAOYSA-N 1 1 380.835 3.864 50 0 GHAAMO C[N@@H+](Cc1cc(-c2ccccn2)no1)Cc1cc(=O)c2cccc(Cl)c2[nH]1 ZINC000091595694 571016760 /nfs/dbraw/zinc/01/67/60/571016760.db2.gz MHHLIZLIHLDCJD-UHFFFAOYSA-N 1 1 380.835 3.864 50 0 GHAAMO c1ccc(OCCN2CC[NH+](CCOc3ccc4ccccc4c3)CC2)cc1 ZINC000084556844 571023264 /nfs/dbraw/zinc/02/32/64/571023264.db2.gz PSGYBYMJKZHYQT-UHFFFAOYSA-N 1 1 376.500 3.915 50 0 GHAAMO c1ccc(OCC[NH+]2CCN(CCOc3ccc4ccccc4c3)CC2)cc1 ZINC000084556844 571023266 /nfs/dbraw/zinc/02/32/66/571023266.db2.gz PSGYBYMJKZHYQT-UHFFFAOYSA-N 1 1 376.500 3.915 50 0 GHAAMO Cc1[nH]c2c(c1CC(=O)NC[C@H]1Cc3ccccc3C[N@@H+]1C)c(C)ccc2C ZINC000091665738 571025345 /nfs/dbraw/zinc/02/53/45/571025345.db2.gz HJXABWDYJVUPGX-HXUWFJFHSA-N 1 1 375.516 3.809 50 0 GHAAMO COc1cccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C3)c1OC ZINC000095359112 571054280 /nfs/dbraw/zinc/05/42/80/571054280.db2.gz MPHXHTVYVVEPLI-GHTZIAJQSA-N 1 1 384.495 3.939 50 0 GHAAMO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000095367227 571058938 /nfs/dbraw/zinc/05/89/38/571058938.db2.gz BWGRKROHDYZFFV-QFBILLFUSA-N 1 1 389.421 3.837 50 0 GHAAMO O=C(c1ccc(-n2ccnc2)cc1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000095369097 571060474 /nfs/dbraw/zinc/06/04/74/571060474.db2.gz ZCBAKUVBEROGPN-NZQKXSOJSA-N 1 1 386.499 3.609 50 0 GHAAMO O=C(c1cccc2cccnc21)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000095375323 571063592 /nfs/dbraw/zinc/06/35/92/571063592.db2.gz HLKCYGCWOSKYNH-PGRDOPGGSA-N 1 1 397.522 3.939 50 0 GHAAMO OC[C@@]12C[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@@H]1c1ccccc1OC2 ZINC000095388374 571071291 /nfs/dbraw/zinc/07/12/91/571071291.db2.gz RYEQUNHTCPUJSV-IEBWSBKVSA-N 1 1 379.378 3.556 50 0 GHAAMO CN(Cc1csc(-c2ccccc2)n1)C(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000095390625 571072657 /nfs/dbraw/zinc/07/26/57/571072657.db2.gz DXBCUPVGJGQZSB-FQEVSTJZSA-N 1 1 377.513 3.825 50 0 GHAAMO CN(Cc1csc(-c2ccccc2)n1)C(=O)[C@@H]1Cc2ccccc2C[N@H+]1C ZINC000095390625 571072660 /nfs/dbraw/zinc/07/26/60/571072660.db2.gz DXBCUPVGJGQZSB-FQEVSTJZSA-N 1 1 377.513 3.825 50 0 GHAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)Nc1ccccc1-c1ccncc1 ZINC000111776507 834544171 /nfs/dbraw/zinc/54/41/71/834544171.db2.gz XNZOCLOXIFYDKZ-UHFFFAOYSA-N 1 1 394.519 3.905 50 0 GHAAMO Cc1cc(C[N@H+](C)Cc2ccccc2-c2nc([C@@H]3CCCO3)cc(=O)[nH]2)ccn1 ZINC000023430551 837075271 /nfs/dbraw/zinc/07/52/71/837075271.db2.gz HOZFJEDSJKJUPS-NRFANRHFSA-N 1 1 390.487 3.624 50 0 GHAAMO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCCCC[C@H]2/C=C/c2ccccc2)o1 ZINC000079058702 846000980 /nfs/dbraw/zinc/00/09/80/846000980.db2.gz HUNHTACSSPVVDU-HYSAVQALSA-N 1 1 388.533 3.988 50 0 GHAAMO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCCCC[C@H]2/C=C/c2ccccc2)o1 ZINC000079058702 846000988 /nfs/dbraw/zinc/00/09/88/846000988.db2.gz HUNHTACSSPVVDU-HYSAVQALSA-N 1 1 388.533 3.988 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120355227 862739998 /nfs/dbraw/zinc/73/99/98/862739998.db2.gz SRWGJUJTGYHOPW-KRWDZBQOSA-N 1 1 385.552 3.788 50 0 GHAAMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)C1 ZINC000040107901 856665293 /nfs/dbraw/zinc/66/52/93/856665293.db2.gz NXQVTXDZHCPVEX-INIZCTEOSA-N 1 1 386.517 3.574 50 0 GHAAMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(F)cc1)NCc1ccccc1 ZINC000002425491 858780801 /nfs/dbraw/zinc/78/08/01/858780801.db2.gz MIALHLQCIHKELS-GMKZXUHWSA-N 1 1 396.506 3.810 50 0 GHAAMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(F)cc1)NCc1ccccc1 ZINC000002425491 858780810 /nfs/dbraw/zinc/78/08/10/858780810.db2.gz MIALHLQCIHKELS-GMKZXUHWSA-N 1 1 396.506 3.810 50 0 GHAAMO Cc1noc(C)c1C[N@@H+]1CCC[C@H](COc2ccccc2C(=O)NC(C)C)C1 ZINC000169749161 859714155 /nfs/dbraw/zinc/71/41/55/859714155.db2.gz RIYCKVGRSWBYDP-SFHVURJKSA-N 1 1 385.508 3.721 50 0 GHAAMO COC[C@@H]1C[N@H+](C2CCC2)CC12CCN(C(=O)c1nccc3ccccc31)CC2 ZINC000169786861 859782967 /nfs/dbraw/zinc/78/29/67/859782967.db2.gz RRPNCLLHPKAUTI-IBGZPJMESA-N 1 1 393.531 3.588 50 0 GHAAMO Cc1ccc(C)c2c(=O)c(CN3CC[NH+](Cc4ccccc4)CC3)c(C)[nH]c12 ZINC000019793599 860370062 /nfs/dbraw/zinc/37/00/62/860370062.db2.gz YRHZCGAIYRDFOV-UHFFFAOYSA-N 1 1 375.516 3.771 50 0 GHAAMO Cc1ccc(C)c2c(=O)c(C[NH+]3CCN(Cc4ccccc4)CC3)c(C)[nH]c12 ZINC000019793599 860370067 /nfs/dbraw/zinc/37/00/67/860370067.db2.gz YRHZCGAIYRDFOV-UHFFFAOYSA-N 1 1 375.516 3.771 50 0 GHAAMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cnc(-c4ccncc4)s3)cc2)CC1 ZINC000172776284 860435205 /nfs/dbraw/zinc/43/52/05/860435205.db2.gz QGRBDHUSFOKZEL-UHFFFAOYSA-N 1 1 393.516 3.599 50 0 GHAAMO Cc1ccc(C[N@@H+]2CCc3nc(N4CCN(c5ccccc5)CC4)ncc3C2)cc1 ZINC000021640325 860870442 /nfs/dbraw/zinc/87/04/42/860870442.db2.gz JSNRZHDQKRVZQJ-UHFFFAOYSA-N 1 1 399.542 3.670 50 0 GHAAMO Cc1ccc(C[N@H+]2CCc3nc(N4CCN(c5ccccc5)CC4)ncc3C2)cc1 ZINC000021640325 860870449 /nfs/dbraw/zinc/87/04/49/860870449.db2.gz JSNRZHDQKRVZQJ-UHFFFAOYSA-N 1 1 399.542 3.670 50 0 GHAAMO Cc1c2cc(C)ccc2oc1-c1nnc(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000096324155 860880257 /nfs/dbraw/zinc/88/02/57/860880257.db2.gz SLURUQMULTVTKC-OAHLLOKOSA-N 1 1 396.491 3.951 50 0 GHAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)c4cccs4)CC3)nc(C)[nH+]2)cc1 ZINC000021793981 860941888 /nfs/dbraw/zinc/94/18/88/860941888.db2.gz NHKCGXXTJNAJAU-UHFFFAOYSA-N 1 1 393.516 3.861 50 0 GHAAMO Cc1ccc(NC(=O)C[NH+](C)C)cc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000823676184 863156143 /nfs/dbraw/zinc/15/61/43/863156143.db2.gz QWIVJBMWBHUTAE-UHFFFAOYSA-N 1 1 379.382 3.766 50 0 GHAAMO COc1cc2c(cc1C[N@H+]1CCC[C@@H](CNC(=O)c3scnc3C)C1)CCC2 ZINC000824616720 864102577 /nfs/dbraw/zinc/10/25/77/864102577.db2.gz KJKZWGHKEVQOKK-INIZCTEOSA-N 1 1 399.560 3.591 50 0 GHAAMO C[N@@H+](Cc1ccccc1)[C@@H]1CCOC2(CCN(C(=O)Cc3cccs3)CC2)C1 ZINC000581784084 869983064 /nfs/dbraw/zinc/98/30/64/869983064.db2.gz BXQVXAYVTODCJR-HXUWFJFHSA-N 1 1 398.572 3.963 50 0 GHAAMO CN(C)C(=O)CCc1ccc2c(c1)C[N@H+](Cc1cccc3[nH]ccc31)CCO2 ZINC000581800195 869998353 /nfs/dbraw/zinc/99/83/53/869998353.db2.gz QHSMDEPUEROFIY-UHFFFAOYSA-N 1 1 377.488 3.583 50 0 GHAAMO Cc1ccc(C(=O)N2CCC(Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)s1 ZINC000581810103 870041574 /nfs/dbraw/zinc/04/15/74/870041574.db2.gz VTXAWZQUMKXWOD-UHFFFAOYSA-N 1 1 398.572 3.984 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000153116714 882594973 /nfs/dbraw/zinc/59/49/73/882594973.db2.gz MZANMVCNRRMCQY-ZDUSSCGKSA-N 1 1 398.334 3.797 50 0 GHAAMO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CC[N@H+]1CCC[C@@H](C)C1 ZINC000002219001 882983878 /nfs/dbraw/zinc/98/38/78/882983878.db2.gz MOSKJPPFBGVAKB-CYBMUJFWSA-N 1 1 375.444 3.544 50 0 GHAAMO Cc1ccc(N2CCC(NC(=O)N(C)Cc3cc4ccccc4o3)CC2)[nH+]c1 ZINC000175564039 877353763 /nfs/dbraw/zinc/35/37/63/877353763.db2.gz PBDMHBJMFGQGQC-UHFFFAOYSA-N 1 1 378.476 3.947 50 0 GHAAMO CN(C(=O)c1ccc(NC(=O)c2cc3sccc3[nH]2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000192134729 897809809 /nfs/dbraw/zinc/80/98/09/897809809.db2.gz VUAICHGUJCNWLM-MRXNPFEDSA-N 1 1 396.516 3.648 50 0 GHAAMO COc1ccccc1-c1ncc(C[N@@H+]2CCC[C@@H](C(=O)c3ccccn3)C2)cn1 ZINC000952963419 904643245 /nfs/dbraw/zinc/64/32/45/904643245.db2.gz KDENYUAWOSVGKH-GOSISDBHSA-N 1 1 388.471 3.642 50 0 GHAAMO COc1ccccc1-c1ncc(C[N@H+]2CCC[C@@H](C(=O)c3ccccn3)C2)cn1 ZINC000952963419 904643252 /nfs/dbraw/zinc/64/32/52/904643252.db2.gz KDENYUAWOSVGKH-GOSISDBHSA-N 1 1 388.471 3.642 50 0 GHAAMO Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)c(C)c2)cc1C ZINC000952974340 904653023 /nfs/dbraw/zinc/65/30/23/904653023.db2.gz CXENSCBAERJPIV-KRWDZBQOSA-N 1 1 383.492 3.518 50 0 GHAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)c1 ZINC000952989363 904675636 /nfs/dbraw/zinc/67/56/36/904675636.db2.gz QQNYFEMZMXVIJV-UHFFFAOYSA-N 1 1 378.476 3.635 50 0 GHAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCCN(C(=O)c3ccco3)CC2)c1 ZINC000952989363 904675643 /nfs/dbraw/zinc/67/56/43/904675643.db2.gz QQNYFEMZMXVIJV-UHFFFAOYSA-N 1 1 378.476 3.635 50 0 GHAAMO O=C(Nc1cc2c(cc1F)NC(=O)CC2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000121975730 911639234 /nfs/dbraw/zinc/63/92/34/911639234.db2.gz XHNIJOPIDQLNQE-KRWDZBQOSA-N 1 1 381.451 3.561 50 0 GHAAMO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)o1 ZINC000098056474 916134491 /nfs/dbraw/zinc/13/44/91/916134491.db2.gz HUNHTACSSPVVDU-SYGIOELKSA-N 1 1 388.533 3.988 50 0 GHAAMO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)o1 ZINC000098056474 916134496 /nfs/dbraw/zinc/13/44/96/916134496.db2.gz HUNHTACSSPVVDU-SYGIOELKSA-N 1 1 388.533 3.988 50 0 GHAAMO O=C([C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1)N1CCCCCC1 ZINC000014980448 919351457 /nfs/dbraw/zinc/35/14/57/919351457.db2.gz RMNYKUUDABEDQM-QHCPKHFHSA-N 1 1 397.607 3.808 50 0 GHAAMO c1cnc2c(c1)cccc2C[N@H+]1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 ZINC000020912840 919670645 /nfs/dbraw/zinc/67/06/45/919670645.db2.gz YJLOALKJGAFLDM-UHFFFAOYSA-N 1 1 384.439 3.912 50 0 GHAAMO CO[C@@H](C(=O)N1CCC[C@@H]2C[N@@H+](Cc3cccs3)CC[C@H]21)c1ccccc1 ZINC000020909102 919670751 /nfs/dbraw/zinc/67/07/51/919670751.db2.gz ZOTRYUACXUTLDV-HMXCVIKNSA-N 1 1 384.545 3.949 50 0 GHAAMO COc1ccccc1C[NH+]1CCN(Cc2[nH]c(-c3ccccc3)nc2C)CC1 ZINC000020906187 919671130 /nfs/dbraw/zinc/67/11/30/919671130.db2.gz XCVLPCOHDYKQHU-UHFFFAOYSA-N 1 1 376.504 3.712 50 0 GHAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(OC)c(Br)c2)C1 ZINC000000755704 212180093 /nfs/dbraw/zinc/18/00/93/212180093.db2.gz VIXBZZNPSOXWLW-HNNXBMFYSA-N 1 1 383.330 3.538 50 0 GHAAMO CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000247848796 212134641 /nfs/dbraw/zinc/13/46/41/212134641.db2.gz QHRYYIWWVCYYGL-IYWMVGAKSA-N 1 1 378.497 3.733 50 0 GHAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)NCc1ccc(Cl)cc1 ZINC000008318936 221037025 /nfs/dbraw/zinc/03/70/25/221037025.db2.gz VRSDZQLZPFIKBZ-SFHVURJKSA-N 1 1 386.879 3.565 50 0 GHAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)NCc1ccc(Cl)cc1 ZINC000008318936 221037029 /nfs/dbraw/zinc/03/70/29/221037029.db2.gz VRSDZQLZPFIKBZ-SFHVURJKSA-N 1 1 386.879 3.565 50 0 GHAAMO CCOc1cc(C[NH2+]Cc2ccco2)ccc1Oc1nnnn1-c1ccccc1 ZINC000009356197 221079072 /nfs/dbraw/zinc/07/90/72/221079072.db2.gz POZURJQYMAGWTM-UHFFFAOYSA-N 1 1 391.431 3.736 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4occc4C)C3)C2)c1OC ZINC000011843825 221132850 /nfs/dbraw/zinc/13/28/50/221132850.db2.gz PLCZERUZGKMDQO-QHCPKHFHSA-N 1 1 398.503 3.734 50 0 GHAAMO CCN(Cc1cnn(CC)c1C)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000011878325 221134504 /nfs/dbraw/zinc/13/45/04/221134504.db2.gz HHYIQVDEDBQOKS-QFIPXVFZSA-N 1 1 398.595 3.997 50 0 GHAAMO CCn1ncc(C[N@H+](CC)C[C@@H]2CCCN(CCc3cccc(OC)c3)C2)c1C ZINC000011878325 221134516 /nfs/dbraw/zinc/13/45/16/221134516.db2.gz HHYIQVDEDBQOKS-QFIPXVFZSA-N 1 1 398.595 3.997 50 0 GHAAMO CCn1ncc(C[N@@H+](CC)C[C@@H]2CCCN(CCc3cccc(OC)c3)C2)c1C ZINC000011878325 221134518 /nfs/dbraw/zinc/13/45/18/221134518.db2.gz HHYIQVDEDBQOKS-QFIPXVFZSA-N 1 1 398.595 3.997 50 0 GHAAMO O=C(CC[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1)NCc1ccc(F)c(F)c1 ZINC000011957010 221140182 /nfs/dbraw/zinc/14/01/82/221140182.db2.gz YYHHNZKKCSDIIV-MRXNPFEDSA-N 1 1 388.458 3.979 50 0 GHAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)NCc2ccccc2)C1 ZINC000012049113 221144514 /nfs/dbraw/zinc/14/45/14/221144514.db2.gz VIKAETQAYAIWGA-NRFANRHFSA-N 1 1 395.547 3.791 50 0 GHAAMO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2[nH]c(CC)nc2C)CC1 ZINC000012299700 221175352 /nfs/dbraw/zinc/17/53/52/221175352.db2.gz QKOOATWKHBHDCW-UHFFFAOYSA-N 1 1 399.535 3.895 50 0 GHAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccco3)C2)c(OC)c1 ZINC000012298844 221176312 /nfs/dbraw/zinc/17/63/12/221176312.db2.gz CQYQFGJDNSHDKM-KRWDZBQOSA-N 1 1 386.492 3.605 50 0 GHAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](C(=O)c3cc(F)ccc3OC)C2)cc1 ZINC000012191854 221164859 /nfs/dbraw/zinc/16/48/59/221164859.db2.gz OPIYUUSVGUTSEK-QGZVFWFLSA-N 1 1 385.435 3.716 50 0 GHAAMO O=C(CSc1ccccn1)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000012436027 221193364 /nfs/dbraw/zinc/19/33/64/221193364.db2.gz CNAQPTTUSARUED-QGZVFWFLSA-N 1 1 375.925 3.608 50 0 GHAAMO O=C(CSc1ccccn1)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000012436027 221193366 /nfs/dbraw/zinc/19/33/66/221193366.db2.gz CNAQPTTUSARUED-QGZVFWFLSA-N 1 1 375.925 3.608 50 0 GHAAMO CCCn1cc([C@@H]2C[C@H]3CN(Cc4ccccc4C)C(=O)[C@]34CCC[N@@H+]24)c(C)n1 ZINC000012439196 221195073 /nfs/dbraw/zinc/19/50/73/221195073.db2.gz VWLZSCZGWKVLDH-SSPYTLHUSA-N 1 1 392.547 3.848 50 0 GHAAMO C[C@H](NC(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1)C1CC1 ZINC000012469298 221197938 /nfs/dbraw/zinc/19/79/38/221197938.db2.gz UHYZRWDLDAJZMO-FQEVSTJZSA-N 1 1 397.607 3.710 50 0 GHAAMO CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCC[N@@H+](Cc2cnn(CC)c2)C1 ZINC000012579463 221210054 /nfs/dbraw/zinc/21/00/54/221210054.db2.gz WVAMUFPAQCTYQG-OAQYLSRUSA-N 1 1 389.927 3.944 50 0 GHAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc3nonc3c2)C1)Nc1ccccc1F ZINC000012708849 221218899 /nfs/dbraw/zinc/21/88/99/221218899.db2.gz ZXQGKYNBYBLWCF-OAHLLOKOSA-N 1 1 382.439 3.993 50 0 GHAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](CC(C)(C)C)C2)c(OC)c1 ZINC000012703099 221219137 /nfs/dbraw/zinc/21/91/37/221219137.db2.gz ICAAZJMXCJBRPS-QGZVFWFLSA-N 1 1 376.541 3.858 50 0 GHAAMO Cc1cc(=O)oc(C)c1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012717643 221220494 /nfs/dbraw/zinc/22/04/94/221220494.db2.gz QJOYBVZGRXIIME-QHCPKHFHSA-N 1 1 398.478 3.524 50 0 GHAAMO COc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2F)C3)c1O ZINC000012716398 221220504 /nfs/dbraw/zinc/22/05/04/221220504.db2.gz ROMJPACZPBSQJP-HSZRJFAPSA-N 1 1 398.478 3.668 50 0 GHAAMO C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012800626 221233599 /nfs/dbraw/zinc/23/35/99/221233599.db2.gz ZJVIZTCUNMPFNQ-MRXNPFEDSA-N 1 1 399.922 3.695 50 0 GHAAMO Cc1ccc(NC(=O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012866399 221239958 /nfs/dbraw/zinc/23/99/58/221239958.db2.gz POHBUZVMFNFKOV-UHFFFAOYSA-N 1 1 392.425 3.560 50 0 GHAAMO Cc1ccc(NC(=O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012866399 221239961 /nfs/dbraw/zinc/23/99/61/221239961.db2.gz POHBUZVMFNFKOV-UHFFFAOYSA-N 1 1 392.425 3.560 50 0 GHAAMO CSc1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000012867227 221240556 /nfs/dbraw/zinc/24/05/56/221240556.db2.gz HXQHIVRBKMRUQR-OAHLLOKOSA-N 1 1 381.505 3.621 50 0 GHAAMO CSc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000012867227 221240558 /nfs/dbraw/zinc/24/05/58/221240558.db2.gz HXQHIVRBKMRUQR-OAHLLOKOSA-N 1 1 381.505 3.621 50 0 GHAAMO Cc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012981036 221251887 /nfs/dbraw/zinc/25/18/87/221251887.db2.gz NFUUATVHEZXGDN-FQEVSTJZSA-N 1 1 380.488 3.562 50 0 GHAAMO Cc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012981036 221251891 /nfs/dbraw/zinc/25/18/91/221251891.db2.gz NFUUATVHEZXGDN-FQEVSTJZSA-N 1 1 380.488 3.562 50 0 GHAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000012993856 221254118 /nfs/dbraw/zinc/25/41/18/221254118.db2.gz DCXOQSWDPMTFHA-UHFFFAOYSA-N 1 1 379.287 3.756 50 0 GHAAMO OCCOc1cccc(C[N@H+]2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)c1 ZINC000014961593 221322172 /nfs/dbraw/zinc/32/21/72/221322172.db2.gz KTKIQRHALVZUAF-QFIPXVFZSA-N 1 1 389.923 3.528 50 0 GHAAMO CC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000015064755 221327658 /nfs/dbraw/zinc/32/76/58/221327658.db2.gz CXEJOYDLCSDQSG-INIZCTEOSA-N 1 1 382.426 3.611 50 0 GHAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CSc3ncccn3)C2)cc1 ZINC000015071326 221331825 /nfs/dbraw/zinc/33/18/25/221331825.db2.gz MVBWVLDTADFTCY-HXUWFJFHSA-N 1 1 398.576 3.548 50 0 GHAAMO Cc1ccn2c(=O)cc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCCO4)nc2c1 ZINC000016343893 221360646 /nfs/dbraw/zinc/36/06/46/221360646.db2.gz COFKJUAAVYDUAJ-LJQANCHMSA-N 1 1 391.471 3.501 50 0 GHAAMO CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000016396243 221361730 /nfs/dbraw/zinc/36/17/30/221361730.db2.gz WJDWZATZHVWLLY-SFHVURJKSA-N 1 1 393.531 3.604 50 0 GHAAMO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)c(C)c1 ZINC000018935210 221393135 /nfs/dbraw/zinc/39/31/35/221393135.db2.gz GAKFBLCCXGCIII-OAQYLSRUSA-N 1 1 393.531 3.676 50 0 GHAAMO c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1C[NH+]1CCN(c2ncccn2)CC1 ZINC000055072185 132443302 /nfs/dbraw/zinc/44/33/02/132443302.db2.gz QOUMTFUDVFCQQJ-UHFFFAOYSA-N 1 1 396.498 3.856 50 0 GHAAMO Clc1cccc(N2CCN([C@H]3CCC[N@@H+](CCc4ccccn4)C3)CC2)c1 ZINC000072170226 136167387 /nfs/dbraw/zinc/16/73/87/136167387.db2.gz RNIOXMGSBXGLAN-QFIPXVFZSA-N 1 1 384.955 3.564 50 0 GHAAMO Clc1cccc(N2CC[NH+]([C@H]3CCCN(CCc4ccccn4)C3)CC2)c1 ZINC000072170226 136167388 /nfs/dbraw/zinc/16/73/88/136167388.db2.gz RNIOXMGSBXGLAN-QFIPXVFZSA-N 1 1 384.955 3.564 50 0 GHAAMO Cc1nc(-c2cccc(N3CCC([N@H+](C)Cc4nonc4C)CC3)c2)cs1 ZINC000082039356 136173255 /nfs/dbraw/zinc/17/32/55/136173255.db2.gz QQPPAWFREYHKBF-UHFFFAOYSA-N 1 1 383.521 3.911 50 0 GHAAMO Cc1nc(-c2cccc(N3CCC([N@@H+](C)Cc4nonc4C)CC3)c2)cs1 ZINC000082039356 136173256 /nfs/dbraw/zinc/17/32/56/136173256.db2.gz QQPPAWFREYHKBF-UHFFFAOYSA-N 1 1 383.521 3.911 50 0 GHAAMO O=C(NCCCc1nc2ccccc2[nH]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057152996 222030312 /nfs/dbraw/zinc/03/03/12/222030312.db2.gz RMALHTRSFYJERQ-IBGZPJMESA-N 1 1 376.504 3.524 50 0 GHAAMO CSc1ncc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cn1 ZINC000055358241 222020318 /nfs/dbraw/zinc/02/03/18/222020318.db2.gz UDVYQWBLXOHWSW-LLVKDONJSA-N 1 1 375.448 3.822 50 0 GHAAMO C[C@@H]([NH2+]Cc1cn(CCOc2ccccc2F)c2ccccc12)c1nncn1C ZINC000055325319 222020820 /nfs/dbraw/zinc/02/08/20/222020820.db2.gz DIQXPBDVNGEYMW-MRXNPFEDSA-N 1 1 393.466 3.839 50 0 GHAAMO C[C@H]([NH2+]Cc1cn(CCOc2ccccc2F)c2ccccc12)c1nncn1C ZINC000055325317 222021196 /nfs/dbraw/zinc/02/11/96/222021196.db2.gz DIQXPBDVNGEYMW-INIZCTEOSA-N 1 1 393.466 3.839 50 0 GHAAMO COc1ccc(CC[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000058061072 222038653 /nfs/dbraw/zinc/03/86/53/222038653.db2.gz PJUFDLVVPJFZRI-UHFFFAOYSA-N 1 1 379.426 3.864 50 0 GHAAMO CCNC(=O)NC(=O)[C@H](c1ccccc1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000058158052 222040854 /nfs/dbraw/zinc/04/08/54/222040854.db2.gz QQBJPSBUSRFCTE-NRFANRHFSA-N 1 1 375.472 3.859 50 0 GHAAMO CCNC(=O)NC(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000058158052 222040859 /nfs/dbraw/zinc/04/08/59/222040859.db2.gz QQBJPSBUSRFCTE-NRFANRHFSA-N 1 1 375.472 3.859 50 0 GHAAMO CC[C@@H](CO)[N@@H+](Cc1cccs1)Cc1cc(=O)n2c3c(cccc13)CCC2 ZINC000063855294 222068842 /nfs/dbraw/zinc/06/88/42/222068842.db2.gz FPPJKCUGWGXMOY-SFHVURJKSA-N 1 1 382.529 3.782 50 0 GHAAMO O=C1CC[N@H+](Cc2ccccc2OC(F)F)CCN1Cc1ccccc1F ZINC000064152235 222070541 /nfs/dbraw/zinc/07/05/41/222070541.db2.gz KMZJCILLXJPKKM-UHFFFAOYSA-N 1 1 378.394 3.662 50 0 GHAAMO O=C1CC[N@@H+](Cc2ccccc2OC(F)F)CCN1Cc1ccccc1F ZINC000064152235 222070545 /nfs/dbraw/zinc/07/05/45/222070545.db2.gz KMZJCILLXJPKKM-UHFFFAOYSA-N 1 1 378.394 3.662 50 0 GHAAMO Cc1ccc(-c2nc(N(C)C[C@@]3(C)CC[N@@H+](C)C3)ncc2-c2cncnc2)cc1 ZINC000065398359 222128691 /nfs/dbraw/zinc/12/86/91/222128691.db2.gz WHKZJAIIEHSBOR-QHCPKHFHSA-N 1 1 388.519 3.687 50 0 GHAAMO C[N@H+]1CCC[C@H]1CCN1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 ZINC000067432427 222147439 /nfs/dbraw/zinc/14/74/39/222147439.db2.gz AZXPXRKXCBFDLH-SFHVURJKSA-N 1 1 387.911 3.786 50 0 GHAAMO Cc1cc(C)n([C@@H]2CC[N@@H+](Cc3cccc(C(=O)Nc4ccncc4)c3)C2)n1 ZINC000067678913 222154345 /nfs/dbraw/zinc/15/43/45/222154345.db2.gz LMXGJHRUUCZQEW-OAQYLSRUSA-N 1 1 375.476 3.594 50 0 GHAAMO CCc1[nH+]ccn1CC(=O)N1CCC(c2n[nH]cc2-c2cccc(C)c2)CC1 ZINC000067786939 222160122 /nfs/dbraw/zinc/16/01/22/222160122.db2.gz UJEOQYWPSYGECH-UHFFFAOYSA-N 1 1 377.492 3.550 50 0 GHAAMO CC[N@H+]1CC[C@H](CN2CCOc3c(O)cc(-c4ccc(Cl)cn4)cc3C2)C1 ZINC000067805051 222160605 /nfs/dbraw/zinc/16/06/05/222160605.db2.gz HVPJQLIWWLRDJR-HNNXBMFYSA-N 1 1 387.911 3.644 50 0 GHAAMO CC[N@H+]1CC[C@@H](CN2CCOc3c(O)cc(-c4ccc(Cl)cn4)cc3C2)C1 ZINC000067805052 222161284 /nfs/dbraw/zinc/16/12/84/222161284.db2.gz HVPJQLIWWLRDJR-OAHLLOKOSA-N 1 1 387.911 3.644 50 0 GHAAMO CC(C)[C@H]1CN(C(=O)CCCc2cn[nH]c2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071479439 222186329 /nfs/dbraw/zinc/18/63/29/222186329.db2.gz VDPTVTJOUJQSFV-OAQYLSRUSA-N 1 1 386.515 3.631 50 0 GHAAMO COc1ccc2cc([C@H]3C[N@H+](Cc4ccccc4OCCO)CCO3)ccc2c1 ZINC000071736282 222187361 /nfs/dbraw/zinc/18/73/61/222187361.db2.gz VIJGWXHAKACVAV-XMMPIXPASA-N 1 1 393.483 3.793 50 0 GHAAMO COc1ccc2cc([C@H]3C[N@@H+](Cc4ccccc4OCCO)CCO3)ccc2c1 ZINC000071736282 222187363 /nfs/dbraw/zinc/18/73/63/222187363.db2.gz VIJGWXHAKACVAV-XMMPIXPASA-N 1 1 393.483 3.793 50 0 GHAAMO Cc1nc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)cs1 ZINC000071759198 222194287 /nfs/dbraw/zinc/19/42/87/222194287.db2.gz BEHOQKWHICJVTB-LJQANCHMSA-N 1 1 375.513 3.963 50 0 GHAAMO COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CC[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000072141996 222210375 /nfs/dbraw/zinc/21/03/75/222210375.db2.gz BAMVAKMJSNYOSX-FCEUIQTBSA-N 1 1 392.971 3.679 50 0 GHAAMO COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000072141996 222210378 /nfs/dbraw/zinc/21/03/78/222210378.db2.gz BAMVAKMJSNYOSX-FCEUIQTBSA-N 1 1 392.971 3.679 50 0 GHAAMO CC(=O)c1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)s1 ZINC000072134632 222211193 /nfs/dbraw/zinc/21/11/93/222211193.db2.gz BHQLQNVDVSLIDI-DUXKGJEZSA-N 1 1 380.513 3.653 50 0 GHAAMO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2=O)c1OC ZINC000072422952 222256409 /nfs/dbraw/zinc/25/64/09/222256409.db2.gz CVNIRVXZAVZGAU-DEOSSOPVSA-N 1 1 394.515 3.719 50 0 GHAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@H+]1CCC[C@@H](c2cc(=O)[nH]cn2)C1 ZINC000072422787 222257061 /nfs/dbraw/zinc/25/70/61/222257061.db2.gz YMCTYFVBZKPNTK-CQSZACIVSA-N 1 1 384.867 3.766 50 0 GHAAMO Cc1nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)cs1 ZINC000072411906 222257157 /nfs/dbraw/zinc/25/71/57/222257157.db2.gz NRPBVTPHKWHQSS-MAUKXSAKSA-N 1 1 375.563 3.569 50 0 GHAAMO Cc1nc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)cs1 ZINC000072411906 222257160 /nfs/dbraw/zinc/25/71/60/222257160.db2.gz NRPBVTPHKWHQSS-MAUKXSAKSA-N 1 1 375.563 3.569 50 0 GHAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CCC(=O)NC[C@@H]2C)cc1 ZINC000072422125 222258116 /nfs/dbraw/zinc/25/81/16/222258116.db2.gz FBCFNJVLJOJDPY-KRWDZBQOSA-N 1 1 389.499 3.929 50 0 GHAAMO COc1ccc(OC)c(-c2nc3c(C)cccc3cc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000072473468 222264648 /nfs/dbraw/zinc/26/46/48/222264648.db2.gz OFVSKKDTMWYJOJ-GOSISDBHSA-N 1 1 378.472 3.794 50 0 GHAAMO COC(=O)CC[N@@H+](Cc1cn(-c2ccccc2)nc1C(C)C)C1CCOCC1 ZINC000093734562 222329371 /nfs/dbraw/zinc/32/93/71/222329371.db2.gz SHSKKVLJCGNHTE-UHFFFAOYSA-N 1 1 385.508 3.540 50 0 GHAAMO COc1ccc([C@@H]2C[N@@H+](Cc3cccc4c(C)c(C)[nH]c43)C[C@H]2NC(C)=O)cc1 ZINC000095503140 222336510 /nfs/dbraw/zinc/33/65/10/222336510.db2.gz FWXRZDUVVYMACT-XZOQPEGZSA-N 1 1 391.515 3.897 50 0 GHAAMO Cc1cc2[nH]c(C(=O)NC3CCCCCC3)c(C[NH+]3CCOCC3)c2s1 ZINC000075487756 222273001 /nfs/dbraw/zinc/27/30/01/222273001.db2.gz RFXUJWHZLZEMKZ-UHFFFAOYSA-N 1 1 375.538 3.823 50 0 GHAAMO O=C(c1ccc2ncsc2c1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000077472629 222283206 /nfs/dbraw/zinc/28/32/06/222283206.db2.gz LEYBHMDKVRQFIT-UHFFFAOYSA-N 1 1 377.513 3.612 50 0 GHAAMO CC(C)Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc2c1=O ZINC000079189053 222304735 /nfs/dbraw/zinc/30/47/35/222304735.db2.gz QIDMHIBBVBTTAK-PGRDOPGGSA-N 1 1 395.547 3.652 50 0 biogenic GHAAMO Cc1cccc(C)c1NC(=O)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2 ZINC000082120800 222310321 /nfs/dbraw/zinc/31/03/21/222310321.db2.gz DGUKFVHWHPQECQ-UHFFFAOYSA-N 1 1 381.524 3.970 50 0 GHAAMO COc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)Cc3cccs3)C2)c(F)c1 ZINC000082139198 222311029 /nfs/dbraw/zinc/31/10/29/222311029.db2.gz QMUOOEWVRMICKN-INIZCTEOSA-N 1 1 376.497 3.609 50 0 GHAAMO COc1ccc(C[N@H+]2CCCC[C@H](NC(=O)Cc3cccs3)C2)c(F)c1 ZINC000082139198 222311031 /nfs/dbraw/zinc/31/10/31/222311031.db2.gz QMUOOEWVRMICKN-INIZCTEOSA-N 1 1 376.497 3.609 50 0 GHAAMO CC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3cccs3)oc2C)C[C@H]1c1ccc(C)o1 ZINC000095519942 222346832 /nfs/dbraw/zinc/34/68/32/222346832.db2.gz POGXRVAODQMGCW-NVXWUHKLSA-N 1 1 385.489 3.717 50 0 GHAAMO CC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3cccs3)oc2C)C[C@H]1c1ccc(C)o1 ZINC000095519942 222346834 /nfs/dbraw/zinc/34/68/34/222346834.db2.gz POGXRVAODQMGCW-NVXWUHKLSA-N 1 1 385.489 3.717 50 0 GHAAMO CN(Cc1cncn1C)C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000095524902 222349244 /nfs/dbraw/zinc/34/92/44/222349244.db2.gz AOMSUXCDESICKJ-GOSISDBHSA-N 1 1 394.485 3.825 50 0 GHAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2ccc(Cl)o2)CC1 ZINC000095528788 222353724 /nfs/dbraw/zinc/35/37/24/222353724.db2.gz OVINNXCUSYBSPL-KRWDZBQOSA-N 1 1 381.948 3.526 50 0 GHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2ccc(Cl)o2)CC1 ZINC000095528788 222353727 /nfs/dbraw/zinc/35/37/27/222353727.db2.gz OVINNXCUSYBSPL-KRWDZBQOSA-N 1 1 381.948 3.526 50 0 GHAAMO COc1cc(Br)c(C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1OC ZINC000095997185 222368982 /nfs/dbraw/zinc/36/89/82/222368982.db2.gz QTVSEPITZHHBAR-ZFWWWQNUSA-N 1 1 386.330 3.695 50 0 GHAAMO COc1cc(Br)c(C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1OC ZINC000095997185 222368987 /nfs/dbraw/zinc/36/89/87/222368987.db2.gz QTVSEPITZHHBAR-ZFWWWQNUSA-N 1 1 386.330 3.695 50 0 GHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O ZINC000096114404 222381635 /nfs/dbraw/zinc/38/16/35/222381635.db2.gz VEIYYDIBKOCFJA-INIZCTEOSA-N 1 1 396.487 3.607 50 0 biogenic GHAAMO CC[NH+]1CCN(C(=O)c2c(C3CC3)nn(-c3cccc(C)c3)c2C(C)C)CC1 ZINC000096207146 222398878 /nfs/dbraw/zinc/39/88/78/222398878.db2.gz PDHGHKRMPLDJAU-UHFFFAOYSA-N 1 1 380.536 3.959 50 0 GHAAMO COc1cc(C[N@H+]2CC[C@]3(OC)CC[C@H](Oc4ccccn4)C[C@H]23)ccc1C ZINC000426618337 533826985 /nfs/dbraw/zinc/82/69/85/533826985.db2.gz MWYYCFFXRYBRIG-IEIRFRATSA-N 1 1 382.504 3.990 50 0 GHAAMO O=C(NCC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c[nH]nc1-c1cccc(F)c1 ZINC000091859685 534429567 /nfs/dbraw/zinc/42/95/67/534429567.db2.gz SAKNKWMBZRFWFW-SFHVURJKSA-N 1 1 392.478 3.858 50 0 GHAAMO O=C([C@H](c1ccccc1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCCC1 ZINC000241588402 534624885 /nfs/dbraw/zinc/62/48/85/534624885.db2.gz PCWMSKBMADUVAS-REWPJTCUSA-N 1 1 392.499 3.958 50 0 GHAAMO COc1cc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc2c1OCO2 ZINC000000753244 522387195 /nfs/dbraw/zinc/38/71/95/522387195.db2.gz PPJZPPZDOBHXQZ-UHFFFAOYSA-N 1 1 394.393 3.765 50 0 GHAAMO CCc1cc(=O)[nH]c(-c2ccccc2C[N@H+]2CCCC[C@H]2CCn2ccnc2)n1 ZINC000023505406 523738139 /nfs/dbraw/zinc/73/81/39/523738139.db2.gz ANQYVXHZYLRICN-FQEVSTJZSA-N 1 1 391.519 3.641 50 0 GHAAMO CCNC(=O)c1ccnc(N2CCC[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000095391858 535450800 /nfs/dbraw/zinc/45/08/00/535450800.db2.gz XRCYLAMTRCUUGV-DEOSSOPVSA-N 1 1 392.547 3.714 50 0 GHAAMO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cc(C(C)C)n[nH]3)C2)c1 ZINC000019731139 570211276 /nfs/dbraw/zinc/21/12/76/570211276.db2.gz WMTWVHBZVBVRSV-SFHVURJKSA-N 1 1 398.551 3.850 50 0 GHAAMO OCC[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[N@H+]1Cc1cccs1 ZINC000019742950 570212759 /nfs/dbraw/zinc/21/27/59/570212759.db2.gz XHSFORFUJLZROR-QGZVFWFLSA-N 1 1 384.467 3.836 50 0 GHAAMO CCOC(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000047946194 570217377 /nfs/dbraw/zinc/21/73/77/570217377.db2.gz BOIQIPQRXFRXPS-IBGZPJMESA-N 1 1 382.464 3.651 50 0 GHAAMO O=C(c1ccc2c(c1)OCO2)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000019835166 570223846 /nfs/dbraw/zinc/22/38/46/570223846.db2.gz NZLFDFOANXWLQM-UHFFFAOYSA-N 1 1 398.462 3.943 50 0 GHAAMO S=C(c1ccc(Br)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019842039 570225225 /nfs/dbraw/zinc/22/52/25/570225225.db2.gz JLPIWKNGEVSKFT-UHFFFAOYSA-N 1 1 375.335 3.942 50 0 GHAAMO O=C(c1ccc(COCC(F)(F)F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020028486 570236033 /nfs/dbraw/zinc/23/60/33/570236033.db2.gz FSUASPYZJXBRIQ-UHFFFAOYSA-N 1 1 392.421 3.724 50 0 GHAAMO CCOc1ccccc1OCCCC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000048325822 570236451 /nfs/dbraw/zinc/23/64/51/570236451.db2.gz QBDDEYSZXQOSJG-FQEVSTJZSA-N 1 1 382.504 3.760 50 0 GHAAMO CCOc1ccccc1OCCCC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000048325822 570236456 /nfs/dbraw/zinc/23/64/56/570236456.db2.gz QBDDEYSZXQOSJG-FQEVSTJZSA-N 1 1 382.504 3.760 50 0 GHAAMO C[N@@H+](Cc1ccccc1NC(=O)N1CCN(C(=O)C2CC2)CC1)C1CCCCC1 ZINC000048325913 570236607 /nfs/dbraw/zinc/23/66/07/570236607.db2.gz UXVJWBOUOPRGHQ-UHFFFAOYSA-N 1 1 398.551 3.537 50 0 GHAAMO COc1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1F ZINC000048345353 570240632 /nfs/dbraw/zinc/24/06/32/570240632.db2.gz WNCLBBYSCDEHJG-UHFFFAOYSA-N 1 1 398.400 3.944 50 0 GHAAMO COc1ccc(CN(C)C(=O)C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1F ZINC000048345353 570240636 /nfs/dbraw/zinc/24/06/36/570240636.db2.gz WNCLBBYSCDEHJG-UHFFFAOYSA-N 1 1 398.400 3.944 50 0 GHAAMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000048363541 570245165 /nfs/dbraw/zinc/24/51/65/570245165.db2.gz PFVLTIFQZXMNRL-UHFFFAOYSA-N 1 1 394.519 3.741 50 0 GHAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(Cc3ccccc3F)C2)cc1OC ZINC000020234096 570249435 /nfs/dbraw/zinc/24/94/35/570249435.db2.gz NLHPMQBVELRGJV-HXUWFJFHSA-N 1 1 386.511 3.982 50 0 GHAAMO CCOc1ccc(CN2CC[N@@H+](CCCc3ccccc3)C[C@@H]2CCO)cc1 ZINC000020271025 570250726 /nfs/dbraw/zinc/25/07/26/570250726.db2.gz AMQJNBHHEAKFIA-QHCPKHFHSA-N 1 1 382.548 3.587 50 0 GHAAMO COc1ccc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cc1 ZINC000020453383 570257902 /nfs/dbraw/zinc/25/79/02/570257902.db2.gz KSGZTMKWKGZLMM-FQEVSTJZSA-N 1 1 383.511 3.621 50 0 GHAAMO Cc1cc(Nc2ccc(NC(=O)c3cnccn3)cc2)nc(N2CCCCC2)[nH+]1 ZINC000049028142 570259932 /nfs/dbraw/zinc/25/99/32/570259932.db2.gz ITAKPWSJPSVFNF-UHFFFAOYSA-N 1 1 389.463 3.561 50 0 GHAAMO C[NH+]1CCN(c2ccc(C(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2)CC1 ZINC000001399796 570261871 /nfs/dbraw/zinc/26/18/71/570261871.db2.gz OPRHFMIJAVJXCA-UHFFFAOYSA-N 1 1 375.447 3.871 50 0 GHAAMO CSc1cccc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)c1 ZINC000020775687 570279940 /nfs/dbraw/zinc/27/99/40/570279940.db2.gz DMKFDILIAYEBIW-SFHVURJKSA-N 1 1 392.515 3.756 50 0 GHAAMO CSc1cccc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)c1 ZINC000020775687 570279942 /nfs/dbraw/zinc/27/99/42/570279942.db2.gz DMKFDILIAYEBIW-SFHVURJKSA-N 1 1 392.515 3.756 50 0 GHAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc(C2CC2)nc2ccccc21 ZINC000020937970 570285335 /nfs/dbraw/zinc/28/53/35/570285335.db2.gz NNKCSIOWCHFNJN-UHFFFAOYSA-N 1 1 393.531 3.877 50 0 GHAAMO CC[N@@H+]1CCc2nc(NC(=O)CCc3c(C)nn(CC(C)C)c3C)sc2C1 ZINC000021296170 570289933 /nfs/dbraw/zinc/28/99/33/570289933.db2.gz BBAMZQPYVSKIBY-UHFFFAOYSA-N 1 1 389.569 3.562 50 0 GHAAMO CC[N@H+]1CCc2nc(NC(=O)CCc3c(C)nn(CC(C)C)c3C)sc2C1 ZINC000021296170 570289935 /nfs/dbraw/zinc/28/99/35/570289935.db2.gz BBAMZQPYVSKIBY-UHFFFAOYSA-N 1 1 389.569 3.562 50 0 GHAAMO Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)[nH+]1 ZINC000021794105 570296266 /nfs/dbraw/zinc/29/62/66/570296266.db2.gz AVECIOJFOOSHBG-UHFFFAOYSA-N 1 1 391.431 3.576 50 0 GHAAMO Cc1nc(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)cc(N(C)C)[nH+]1 ZINC000021794105 570296267 /nfs/dbraw/zinc/29/62/67/570296267.db2.gz AVECIOJFOOSHBG-UHFFFAOYSA-N 1 1 391.431 3.576 50 0 GHAAMO COc1cccc([C@@H]2CC[N@@H+](Cc3cnc(-c4ccccn4)nc3)C2)c1OC ZINC000216221260 570297366 /nfs/dbraw/zinc/29/73/66/570297366.db2.gz IEUJWVYNWAOFEC-QGZVFWFLSA-N 1 1 376.460 3.545 50 0 GHAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccoc3)CC2)nc1)c1ccc(F)cc1 ZINC000034681669 570299734 /nfs/dbraw/zinc/29/97/34/570299734.db2.gz SICNKTZDBKYDID-UHFFFAOYSA-N 1 1 394.450 3.778 50 0 GHAAMO c1n[nH]nc1SCC[NH2+]C1CCN(c2cccc(-c3ccccc3)c2)CC1 ZINC000023337936 570354855 /nfs/dbraw/zinc/35/48/55/570354855.db2.gz ITHZMTKYPFYWFS-UHFFFAOYSA-N 1 1 379.533 3.822 50 0 GHAAMO COc1ccc(COC[C@H](O)C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1OC ZINC000023356017 570356349 /nfs/dbraw/zinc/35/63/49/570356349.db2.gz RKWYQOQBMDMBII-WMLDXEAASA-N 1 1 395.446 3.553 50 0 GHAAMO Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1csc2ccccc21)[NH+](C)C ZINC000575620053 570368907 /nfs/dbraw/zinc/36/89/07/570368907.db2.gz IFRQOJGLMDFCCG-QGZVFWFLSA-N 1 1 392.521 3.930 50 0 GHAAMO C[N@@H+](CCNC(=O)c1cc2c(s1)c1ccccc1[nH]c2=O)Cc1ccccc1 ZINC000004929536 570371721 /nfs/dbraw/zinc/37/17/21/570371721.db2.gz DBMKUXLYJJWFSH-UHFFFAOYSA-N 1 1 391.496 3.605 50 0 GHAAMO O=C(NC1CCCCC1)[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000229703948 570378200 /nfs/dbraw/zinc/37/82/00/570378200.db2.gz ZTCZIXZBNSDFHI-VQIMIIECSA-N 1 1 398.469 3.900 50 0 GHAAMO Cc1ccnc(Nc2cc(NCCNC(=O)c3ccccc3Cl)[nH+]c(C)n2)c1 ZINC000090607949 570384007 /nfs/dbraw/zinc/38/40/07/570384007.db2.gz FJJATOQWZMOCIE-UHFFFAOYSA-N 1 1 396.882 3.727 50 0 GHAAMO COc1cc(OC)c(OC)cc1CN1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000004597854 570386721 /nfs/dbraw/zinc/38/67/21/570386721.db2.gz FLVTWJGYSSIUJY-UHFFFAOYSA-N 1 1 396.531 3.735 50 0 GHAAMO CC[NH+]1CCN(C(=S)c2ccc(OCc3ccc(C)cc3)c(OC)c2)CC1 ZINC000004739988 570400700 /nfs/dbraw/zinc/40/07/00/570400700.db2.gz BZMJFSRAWHGDGS-UHFFFAOYSA-N 1 1 384.545 3.896 50 0 GHAAMO Cc1nc2cc(NC(=O)c3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)ccc2o1 ZINC000025075063 570405461 /nfs/dbraw/zinc/40/54/61/570405461.db2.gz XOHXLRKMYAGWGM-GJZGRUSLSA-N 1 1 379.460 3.998 50 0 GHAAMO Cc1nc2cc(NC(=O)c3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)ccc2o1 ZINC000025075048 570405475 /nfs/dbraw/zinc/40/54/75/570405475.db2.gz XOHXLRKMYAGWGM-HUUCEWRRSA-N 1 1 379.460 3.998 50 0 GHAAMO C[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1Cl ZINC000026299437 570424536 /nfs/dbraw/zinc/42/45/36/570424536.db2.gz AFEGMHVVRFRZAW-HOTGVXAUSA-N 1 1 397.910 3.791 50 0 GHAAMO Cc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000240551655 570431010 /nfs/dbraw/zinc/43/10/10/570431010.db2.gz GVFQOUWSXDNRNO-PXNSSMCTSA-N 1 1 380.488 3.781 50 0 GHAAMO Cc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000240551655 570431015 /nfs/dbraw/zinc/43/10/15/570431015.db2.gz GVFQOUWSXDNRNO-PXNSSMCTSA-N 1 1 380.488 3.781 50 0 GHAAMO Cc1cc(O[C@@H](C)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)ccc1Cl ZINC000027992496 570448714 /nfs/dbraw/zinc/44/87/14/570448714.db2.gz LETNZFLEMRHWAW-KRWDZBQOSA-N 1 1 394.943 3.567 50 0 GHAAMO O=C(CC[N@H+]1CC[C@H](CSc2ccccc2)C1)NC(=O)NCc1ccccc1 ZINC000072304962 570514759 /nfs/dbraw/zinc/51/47/59/570514759.db2.gz QILGSFGSWGHLOK-IBGZPJMESA-N 1 1 397.544 3.517 50 0 GHAAMO COc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)COC(C)(C)C)cc1OC ZINC000036095776 570534841 /nfs/dbraw/zinc/53/48/41/570534841.db2.gz GSNJKAWHVWWGKZ-FQEVSTJZSA-N 1 1 387.520 3.882 50 0 GHAAMO COc1cccc(C[N@H+](Cc2ccco2)C[C@H](O)COCc2ccccc2)c1 ZINC000036098194 570536721 /nfs/dbraw/zinc/53/67/21/570536721.db2.gz IZHLPRWVXAHHJC-NRFANRHFSA-N 1 1 381.472 3.868 50 0 GHAAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)COc2ccc(Br)cc2)C1 ZINC000040150221 570558399 /nfs/dbraw/zinc/55/83/99/570558399.db2.gz XBSSSFIVOMMIFY-HLLBOEOZSA-N 1 1 395.341 3.692 50 0 GHAAMO CSc1cccc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)c1 ZINC000038149502 570578741 /nfs/dbraw/zinc/57/87/41/570578741.db2.gz DMKFDILIAYEBIW-GOSISDBHSA-N 1 1 392.515 3.756 50 0 GHAAMO CSc1cccc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)c1 ZINC000038149502 570578744 /nfs/dbraw/zinc/57/87/44/570578744.db2.gz DMKFDILIAYEBIW-GOSISDBHSA-N 1 1 392.515 3.756 50 0 GHAAMO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000229629943 570665645 /nfs/dbraw/zinc/66/56/45/570665645.db2.gz YXWHAUKPJBUSEA-ZIAGYGMSSA-N 1 1 392.906 3.823 50 0 GHAAMO CCCC[N@@H+](CC)CCNC(=O)c1ccc(C[S@@](=O)c2ccccc2C)o1 ZINC000006895400 570692873 /nfs/dbraw/zinc/69/28/73/570692873.db2.gz SISKGHOXVDGTLG-MHZLTWQESA-N 1 1 390.549 3.748 50 0 GHAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)NCc1cccc(Cl)c1 ZINC000032665148 570731250 /nfs/dbraw/zinc/73/12/50/570731250.db2.gz SOMOIPBKYQKUMC-SFHVURJKSA-N 1 1 386.879 3.565 50 0 GHAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)NCc1cccc(Cl)c1 ZINC000032665148 570731254 /nfs/dbraw/zinc/73/12/54/570731254.db2.gz SOMOIPBKYQKUMC-SFHVURJKSA-N 1 1 386.879 3.565 50 0 GHAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000007457310 570845350 /nfs/dbraw/zinc/84/53/50/570845350.db2.gz MNVMCMMKYHXJTB-KRWDZBQOSA-N 1 1 375.472 3.540 50 0 GHAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000007457310 570845352 /nfs/dbraw/zinc/84/53/52/570845352.db2.gz MNVMCMMKYHXJTB-KRWDZBQOSA-N 1 1 375.472 3.540 50 0 GHAAMO C[C@@H](C(=O)Nc1ccccc1)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000003426516 570867027 /nfs/dbraw/zinc/86/70/27/570867027.db2.gz BAFGJGITHRQTCJ-AWEZNQCLSA-N 1 1 377.282 3.787 50 0 GHAAMO C[C@@H](C(=O)Nc1ccccc1)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000003426516 570867029 /nfs/dbraw/zinc/86/70/29/570867029.db2.gz BAFGJGITHRQTCJ-AWEZNQCLSA-N 1 1 377.282 3.787 50 0 GHAAMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015038422 570873128 /nfs/dbraw/zinc/87/31/28/570873128.db2.gz PROMZUQWTVVZIS-MRXNPFEDSA-N 1 1 387.911 3.636 50 0 GHAAMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015038422 570873131 /nfs/dbraw/zinc/87/31/31/570873131.db2.gz PROMZUQWTVVZIS-MRXNPFEDSA-N 1 1 387.911 3.636 50 0 GHAAMO CCC[N@@H+](C)Cc1cc2n(n1)CCN(Cc1ccc(-c3cccnc3)cc1)C2 ZINC000072150092 570873278 /nfs/dbraw/zinc/87/32/78/570873278.db2.gz VDCWDARGWCKILM-UHFFFAOYSA-N 1 1 375.520 3.803 50 0 GHAAMO O=C1CCCCN1CCCc1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299775734 570894455 /nfs/dbraw/zinc/89/44/55/570894455.db2.gz IEAYLRMTHLXJLH-ZCNNSNEGSA-N 1 1 394.519 3.708 50 0 GHAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1)c1cccc(-c2ccncc2)c1 ZINC000299792050 570896628 /nfs/dbraw/zinc/89/66/28/570896628.db2.gz GKYIXVPHTBTWBV-JOCHJYFZSA-N 1 1 387.483 3.849 50 0 GHAAMO O=C(N[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1)c1cccc(-c2ccncc2)c1 ZINC000299792050 570896630 /nfs/dbraw/zinc/89/66/30/570896630.db2.gz GKYIXVPHTBTWBV-JOCHJYFZSA-N 1 1 387.483 3.849 50 0 GHAAMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(OC)cc1F ZINC000089977230 570922772 /nfs/dbraw/zinc/92/27/72/570922772.db2.gz RLASQNUKLWHPLS-KRWDZBQOSA-N 1 1 386.467 3.667 50 0 GHAAMO C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(C[N@@H+]2CCC[C@H]2c2ccccc2)C1=O ZINC000252444219 570957538 /nfs/dbraw/zinc/95/75/38/570957538.db2.gz UCAWZUYTWHUKIA-GHTZIAJQSA-N 1 1 385.414 3.526 50 0 GHAAMO C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(C[N@H+]2CCC[C@H]2c2ccccc2)C1=O ZINC000252444219 570957541 /nfs/dbraw/zinc/95/75/41/570957541.db2.gz UCAWZUYTWHUKIA-GHTZIAJQSA-N 1 1 385.414 3.526 50 0 GHAAMO COc1cc(CC[N@H+]2CCN(c3cccc(C)c3)[C@@H](C)C2)cc(OC)c1OC ZINC000002572956 570965761 /nfs/dbraw/zinc/96/57/61/570965761.db2.gz UGNDODWSHUWAMN-SFHVURJKSA-N 1 1 384.520 3.774 50 0 GHAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(C)=O)[N@@H+](Cc1ccccc1C)CC2 ZINC000107372762 570973517 /nfs/dbraw/zinc/97/35/17/570973517.db2.gz JELXTBQTVQDFGD-HJPURHCSSA-N 1 1 382.504 3.636 50 0 GHAAMO C[C@H](CC(=O)O[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC(=O)C1CCCC1 ZINC000252511245 570981080 /nfs/dbraw/zinc/98/10/80/570981080.db2.gz FIOKYDCEBMZPJI-OPYAIIAOSA-N 1 1 386.536 3.525 50 0 GHAAMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3noc4c3CCCC4)C2)cc1 ZINC000108858899 570992582 /nfs/dbraw/zinc/99/25/82/570992582.db2.gz VOQSMVJGWLAJOP-KRWDZBQOSA-N 1 1 382.508 3.896 50 0 GHAAMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3noc4c3CCCC4)C2)cc1 ZINC000108858899 570992586 /nfs/dbraw/zinc/99/25/86/570992586.db2.gz VOQSMVJGWLAJOP-KRWDZBQOSA-N 1 1 382.508 3.896 50 0 GHAAMO C[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032366 571014052 /nfs/dbraw/zinc/01/40/52/571014052.db2.gz BBXDVJWOHLVOKD-UHFFFAOYSA-N 1 1 386.496 3.970 50 0 GHAAMO C[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032366 571014057 /nfs/dbraw/zinc/01/40/57/571014057.db2.gz BBXDVJWOHLVOKD-UHFFFAOYSA-N 1 1 386.496 3.970 50 0 GHAAMO CC(=O)N1CCc2nc[nH]c2C12CC[NH+](Cc1cc3ccccc3s1)CC2 ZINC000091746353 571028784 /nfs/dbraw/zinc/02/87/84/571028784.db2.gz SGZRJCLINOZROO-UHFFFAOYSA-N 1 1 380.517 3.520 50 0 GHAAMO O=C(c1ccc(F)cc1)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095357307 571052842 /nfs/dbraw/zinc/05/28/42/571052842.db2.gz MDPDGDYBZZDNAK-IOMROCGXSA-N 1 1 386.417 3.806 50 0 GHAAMO CC(=O)c1cc(C[N@H+]2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cs1 ZINC000095360051 571054556 /nfs/dbraw/zinc/05/45/56/571054556.db2.gz PSZTYPOMRGXUOH-KSEOMHKRSA-N 1 1 382.529 3.719 50 0 GHAAMO CC(=O)c1cc(CN2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cs1 ZINC000095360051 571054560 /nfs/dbraw/zinc/05/45/60/571054560.db2.gz PSZTYPOMRGXUOH-KSEOMHKRSA-N 1 1 382.529 3.719 50 0 GHAAMO Cc1nc2ccccc2nc1C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 ZINC000095371235 571061323 /nfs/dbraw/zinc/06/13/23/571061323.db2.gz RUIMPQXVJZAIAH-UYAOXDASSA-N 1 1 386.499 3.675 50 0 GHAAMO Cc1ccccc1C(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095383196 571069081 /nfs/dbraw/zinc/06/90/81/571069081.db2.gz ILGFIIVBESXBFI-VLCRHTCISA-N 1 1 382.454 3.976 50 0 GHAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(Cc3cccc(C)n3)C2)cc1OC ZINC000020539960 839953332 /nfs/dbraw/zinc/95/33/32/839953332.db2.gz SZZXTIMATUOOAR-NRFANRHFSA-N 1 1 383.536 3.546 50 0 GHAAMO CC[N@H+]1CCC[C@H](n2cnc3scc(-c4ccc(OC)cc4OC)c3c2=O)C1 ZINC000584895343 841187868 /nfs/dbraw/zinc/18/78/68/841187868.db2.gz PQBLTLXWGWVCTC-AWEZNQCLSA-N 1 1 399.516 3.799 50 0 GHAAMO C[C@@H]1C[NH+](CCNC(=O)/C=C\c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000229838561 862366985 /nfs/dbraw/zinc/36/69/85/862366985.db2.gz YXLWCBXPBUWEQS-FSMZVQOTSA-N 1 1 390.833 3.597 50 0 GHAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1c2cc(Cl)ccc2[nH]c1C(=O)OC ZINC000002292637 855121479 /nfs/dbraw/zinc/12/14/79/855121479.db2.gz BLANWFMYOGXJSG-CYBMUJFWSA-N 1 1 377.872 3.811 50 0 GHAAMO COC(=O)c1c2c(sc1NC(=O)c1ccc(OC)cc1)C[N@H+](C(C)C)CC2 ZINC000004086925 862770193 /nfs/dbraw/zinc/77/01/93/862770193.db2.gz KSMJVHHISZPZFP-UHFFFAOYSA-N 1 1 388.489 3.562 50 0 GHAAMO COC(=O)c1c2c(sc1NC(=O)c1ccc(OC)cc1)C[N@@H+](C(C)C)CC2 ZINC000004086925 862770206 /nfs/dbraw/zinc/77/02/06/862770206.db2.gz KSMJVHHISZPZFP-UHFFFAOYSA-N 1 1 388.489 3.562 50 0 GHAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)CCCc2cccs2)CC1 ZINC000040089841 856655155 /nfs/dbraw/zinc/65/51/55/856655155.db2.gz GAXIBFJYVLWLOU-UHFFFAOYSA-N 1 1 385.577 3.525 50 0 GHAAMO O=C(CCn1c(-c2ccccc2)cc2ccccc21)NCCC[NH+]1CCOCC1 ZINC000040286920 856724657 /nfs/dbraw/zinc/72/46/57/856724657.db2.gz PNCVPFBVERDPSW-UHFFFAOYSA-N 1 1 391.515 3.537 50 0 GHAAMO COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000002402919 858286789 /nfs/dbraw/zinc/28/67/89/858286789.db2.gz AXXGZSOONKNHJA-TXEJJXNPSA-N 1 1 377.872 3.524 50 0 GHAAMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)[C@H]2CCC(=O)c3ccccc32)C1 ZINC000376047343 859571279 /nfs/dbraw/zinc/57/12/79/859571279.db2.gz XMIQJYIWRADFSB-FQEVSTJZSA-N 1 1 392.499 3.514 50 0 GHAAMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)[C@@H]2CCC(=O)c3ccccc32)C1 ZINC000376047346 859571414 /nfs/dbraw/zinc/57/14/14/859571414.db2.gz XMIQJYIWRADFSB-HXUWFJFHSA-N 1 1 392.499 3.514 50 0 GHAAMO O=C(c1ccc(-c2cccs2)[nH]c1=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000095389930 860562940 /nfs/dbraw/zinc/56/29/40/860562940.db2.gz CGNIHCLLQFKYJW-UHFFFAOYSA-N 1 1 399.560 3.832 50 0 GHAAMO COC(=O)[C@@]1(NCc2nc3ccccc3s2)CCC[N@H+](Cc2ccccc2)C1 ZINC000095454701 860588719 /nfs/dbraw/zinc/58/87/19/860588719.db2.gz ATASUDSGLCGHQS-JOCHJYFZSA-N 1 1 395.528 3.594 50 0 GHAAMO COC(=O)[C@@]1(NCc2nc3ccccc3s2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000095454701 860588725 /nfs/dbraw/zinc/58/87/25/860588725.db2.gz ATASUDSGLCGHQS-JOCHJYFZSA-N 1 1 395.528 3.594 50 0 GHAAMO Cc1nc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)oc1C ZINC000096000071 860742566 /nfs/dbraw/zinc/74/25/66/860742566.db2.gz DSJHNWWHZZBXJY-KRWDZBQOSA-N 1 1 379.464 3.646 50 0 GHAAMO Cc1nc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)oc1C ZINC000096000071 860742569 /nfs/dbraw/zinc/74/25/69/860742569.db2.gz DSJHNWWHZZBXJY-KRWDZBQOSA-N 1 1 379.464 3.646 50 0 GHAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)c3cccs3)cc2)[nH+]1 ZINC000021794511 860942359 /nfs/dbraw/zinc/94/23/59/860942359.db2.gz LYJMSGKHVBTASM-UHFFFAOYSA-N 1 1 395.488 3.679 50 0 GHAAMO C[C@@H](NC(=O)Nc1cccc(Cl)c1)[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000022460621 861127819 /nfs/dbraw/zinc/12/78/19/861127819.db2.gz HFZBCRBVOKBVCC-RDTXWAMCSA-N 1 1 392.956 3.900 50 0 GHAAMO O=C(NCc1ccccc1-n1cccn1)[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000826583319 864711497 /nfs/dbraw/zinc/71/14/97/864711497.db2.gz GYTNUPMSMUDCPI-QFIPXVFZSA-N 1 1 392.478 3.855 50 0 GHAAMO OC[C@@H]1CCC[N@H+]1C[C@H]1CCCN1c1ncnc2scc(-c3ccccc3)c21 ZINC000252673646 864947747 /nfs/dbraw/zinc/94/77/47/864947747.db2.gz RHGCYRYBGZAZFQ-MSOLQXFVSA-N 1 1 394.544 3.784 50 0 GHAAMO O=C(NC[C@H](c1ccc(F)cc1)N1CCCC1)C1CC[NH+](Cc2ccco2)CC1 ZINC000827758273 865089597 /nfs/dbraw/zinc/08/95/97/865089597.db2.gz GWOOYWPADKOYEY-JOCHJYFZSA-N 1 1 399.510 3.584 50 0 GHAAMO c1ccc(-c2nc(-c3cnccn3)no2)c(O[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000581790165 870005628 /nfs/dbraw/zinc/00/56/28/870005628.db2.gz MFEVASXDXBMMFD-INIZCTEOSA-N 1 1 377.448 3.589 50 0 GHAAMO Cc1[nH+]ccn1CCCCNC(=O)c1ccccc1NC(=O)c1cccc(C)c1 ZINC000130176515 875627232 /nfs/dbraw/zinc/62/72/32/875627232.db2.gz DSSGUBGQTUVPAN-UHFFFAOYSA-N 1 1 390.487 3.962 50 0 GHAAMO Fc1cc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1OC(F)F ZINC000192356830 904335954 /nfs/dbraw/zinc/33/59/54/904335954.db2.gz MCPNGHGUAHQWKF-SFHVURJKSA-N 1 1 394.437 3.808 50 0 GHAAMO Fc1cc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)ccc1OC(F)F ZINC000192356830 904335967 /nfs/dbraw/zinc/33/59/67/904335967.db2.gz MCPNGHGUAHQWKF-SFHVURJKSA-N 1 1 394.437 3.808 50 0 GHAAMO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(OCc2cscn2)cc1 ZINC000952845764 904628052 /nfs/dbraw/zinc/62/80/52/904628052.db2.gz QPUSEGOCCWWQLQ-GOSISDBHSA-N 1 1 389.521 3.823 50 0 GHAAMO Cc1csc(SCC(=O)NC[C@H](c2ccccc2F)[NH+]2CCCC2)n1 ZINC000952870288 904634525 /nfs/dbraw/zinc/63/45/25/904634525.db2.gz ZPWAPRZXFYEIFY-MRXNPFEDSA-N 1 1 379.526 3.636 50 0 GHAAMO Cc1ccc(NC(=O)C[NH+](C)C)c(NC(=O)c2cc(C)nc3cc(F)ccc32)c1 ZINC000952965450 904644271 /nfs/dbraw/zinc/64/42/71/904644271.db2.gz UJIFPIVBPSVTEZ-UHFFFAOYSA-N 1 1 394.450 3.743 50 0 GHAAMO CN(C)c1ccc(C(=O)Nc2cccc(NC(=O)C[NH+](C)C)c2)c2ccccc21 ZINC000952970218 904647454 /nfs/dbraw/zinc/64/74/54/904647454.db2.gz LMTYHIDJRZWYCD-UHFFFAOYSA-N 1 1 390.487 3.658 50 0 GHAAMO COc1cccc([C@@H]2CC[N@H+](C3CCN(C(=O)c4ccccc4)CC3)C2)c1OC ZINC000952980677 904660975 /nfs/dbraw/zinc/66/09/75/904660975.db2.gz HQYDQEMFFZMBAJ-LJQANCHMSA-N 1 1 394.515 3.798 50 0 GHAAMO Cc1ccc(Cc2ccccc2C(=O)N2CC[N@H+](CC(C)C)[C@H](CCO)C2)cc1 ZINC000952985374 904671420 /nfs/dbraw/zinc/67/14/20/904671420.db2.gz VLWYQNIBYHJDCL-HSZRJFAPSA-N 1 1 394.559 3.751 50 0 GHAAMO Cc1cc(C)cc(CNC(=O)[C@@H]2C[C@H](CN3CCCC3)C[N@@H+](CC(C)C)C2)c1 ZINC000014747783 919338420 /nfs/dbraw/zinc/33/84/20/919338420.db2.gz PIENOLBUMRPFOD-DHIUTWEWSA-N 1 1 385.596 3.610 50 0 GHAAMO Cc1cc(C)cc(CNC(=O)[C@@H]2C[C@H](CN3CCCC3)C[N@H+](CC(C)C)C2)c1 ZINC000014747783 919338435 /nfs/dbraw/zinc/33/84/35/919338435.db2.gz PIENOLBUMRPFOD-DHIUTWEWSA-N 1 1 385.596 3.610 50 0 GHAAMO COc1ccc(C[NH+]2CCC(O)(Cc3cc(-c4ccccc4)no3)CC2)cc1O ZINC000014960705 919348548 /nfs/dbraw/zinc/34/85/48/919348548.db2.gz RGJZRIHCOJFVER-UHFFFAOYSA-N 1 1 394.471 3.625 50 0 GHAAMO Cc1ccccc1[C@@H](C)CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000116001813 919489887 /nfs/dbraw/zinc/48/98/87/919489887.db2.gz LSDQOHAEOPJGBW-LAUBAEHRSA-N 1 1 379.504 3.577 50 0 GHAAMO Cc1ccccc1[C@@H](C)CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000116001813 919489891 /nfs/dbraw/zinc/48/98/91/919489891.db2.gz LSDQOHAEOPJGBW-LAUBAEHRSA-N 1 1 379.504 3.577 50 0 GHAAMO C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2coc3ccccc3c2=O)C1 ZINC000019771164 919597942 /nfs/dbraw/zinc/59/79/42/919597942.db2.gz SJKCWYZNWXVTEM-OAQYLSRUSA-N 1 1 376.500 3.932 50 0 GHAAMO O=C1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CCN1CCOc1ccccc1 ZINC000020256611 919623868 /nfs/dbraw/zinc/62/38/68/919623868.db2.gz WETHKRDJYKGOJE-UHFFFAOYSA-N 1 1 392.421 3.819 50 0 GHAAMO C[N@H+]1CCC[C@H](CNC(=O)Cc2cscn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000668877652 930496793 /nfs/dbraw/zinc/49/67/93/930496793.db2.gz STBKYAPYOCLMBM-RDTXWAMCSA-N 1 1 397.466 3.904 50 0 GHAAMO COC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000010061669 212237271 /nfs/dbraw/zinc/23/72/71/212237271.db2.gz ICEZXEHXWJAXGP-UHFFFAOYSA-N 1 1 378.519 3.544 50 0 GHAAMO COC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CC[N@H+](C(C)C)C2 ZINC000010061669 212237275 /nfs/dbraw/zinc/23/72/75/212237275.db2.gz ICEZXEHXWJAXGP-UHFFFAOYSA-N 1 1 378.519 3.544 50 0 GHAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4F)o2)N3)C1 ZINC000001249445 212232016 /nfs/dbraw/zinc/23/20/16/212232016.db2.gz JFJJDQHDOZYOSW-GOSISDBHSA-N 1 1 383.448 3.989 50 0 GHAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4F)o2)N3)C1 ZINC000001249445 212232019 /nfs/dbraw/zinc/23/20/19/212232019.db2.gz JFJJDQHDOZYOSW-GOSISDBHSA-N 1 1 383.448 3.989 50 0 GHAAMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000024775325 212113141 /nfs/dbraw/zinc/11/31/41/212113141.db2.gz VQRYHCJLMISQRB-RBUKOAKNSA-N 1 1 379.504 3.981 50 0 GHAAMO CC1CC[NH+](CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)CC1 ZINC000008212403 221031473 /nfs/dbraw/zinc/03/14/73/221031473.db2.gz NADWZPCNNPZOCA-UHFFFAOYSA-N 1 1 386.517 3.784 50 0 GHAAMO Cc1noc(C)c1COc1cccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000008351316 221038796 /nfs/dbraw/zinc/03/87/96/221038796.db2.gz BXNVZWPIKRJIIG-INIZCTEOSA-N 1 1 385.508 3.865 50 0 GHAAMO O=C1N(Cc2cccnc2)CCC[C@@]12CC[N@@H+](Cc1cc3ccccc3o1)C2 ZINC000011821559 221128712 /nfs/dbraw/zinc/12/87/12/221128712.db2.gz DJVCZDLBYRXQLT-QHCPKHFHSA-N 1 1 375.472 3.843 50 0 GHAAMO CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)c3cccc(OC)c3)C2)cc1CO ZINC000011839976 221131060 /nfs/dbraw/zinc/13/10/60/221131060.db2.gz OYVZISFDFCBTEM-IBGZPJMESA-N 1 1 383.488 3.681 50 0 GHAAMO CC(=O)c1ccc(C(=O)N(CCc2ccccc2)C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000011933347 221138205 /nfs/dbraw/zinc/13/82/05/221138205.db2.gz JDLKNGQVOQUCSV-LJQANCHMSA-N 1 1 384.545 3.977 50 0 GHAAMO c1cc(C[N@H+]2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)n(-c2cccnc2)c1 ZINC000011937396 221138977 /nfs/dbraw/zinc/13/89/77/221138977.db2.gz IJHFCIRIYGOJFV-LJQANCHMSA-N 1 1 390.487 3.720 50 0 GHAAMO CN(C)c1cccc(C(=O)N(CCc2ccccc2)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000012075063 221148631 /nfs/dbraw/zinc/14/86/31/221148631.db2.gz XKNWZDXHCSOKEQ-NRFANRHFSA-N 1 1 379.548 3.779 50 0 GHAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CCc3cccnc3)C2)cc1 ZINC000012304480 221178011 /nfs/dbraw/zinc/17/80/11/221178011.db2.gz RKIUOYAFNMHFAR-HSZRJFAPSA-N 1 1 379.548 3.994 50 0 GHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)CSc2ccncc2)C1 ZINC000012318645 221180994 /nfs/dbraw/zinc/18/09/94/221180994.db2.gz LMVAOXGUNGBLIF-HXUWFJFHSA-N 1 1 397.588 3.895 50 0 GHAAMO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)/C=C/c4cccnc4)C3)C2)c1 ZINC000012320287 221181373 /nfs/dbraw/zinc/18/13/73/221181373.db2.gz XPENTEBZYUJGEU-HCXLOTKHSA-N 1 1 375.516 3.918 50 0 GHAAMO COc1ccc([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCC[N@@H+]24)c(OC)c1 ZINC000012196574 221166316 /nfs/dbraw/zinc/16/63/16/221166316.db2.gz YCVXJONLPPXHOB-GRWTVWFQSA-N 1 1 378.472 3.646 50 0 GHAAMO Cc1cc(-n2cccn2)ccc1C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000012439460 221195371 /nfs/dbraw/zinc/19/53/71/221195371.db2.gz FISVKRIZNOJNPH-DEOSSOPVSA-N 1 1 375.516 3.998 50 0 GHAAMO CCOc1ccc(C[N@H+](CCc2ccccc2)C[C@H]2CCCN(C)C2)cc1CO ZINC000012581685 221209826 /nfs/dbraw/zinc/20/98/26/221209826.db2.gz LRRWFLPFHPFGNV-QHCPKHFHSA-N 1 1 396.575 3.964 50 0 GHAAMO CCOc1ccc(C[N@@H+](CCc2ccccc2)C[C@H]2CCCN(C)C2)cc1CO ZINC000012581685 221209829 /nfs/dbraw/zinc/20/98/29/221209829.db2.gz LRRWFLPFHPFGNV-QHCPKHFHSA-N 1 1 396.575 3.964 50 0 GHAAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)c(OC)c1 ZINC000012577776 221210477 /nfs/dbraw/zinc/21/04/77/221210477.db2.gz SPRVCXRLPAEWAM-OAHLLOKOSA-N 1 1 383.444 3.527 50 0 GHAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc4c3OCO4)C2)c(OC)c1 ZINC000012577776 221210478 /nfs/dbraw/zinc/21/04/78/221210478.db2.gz SPRVCXRLPAEWAM-OAHLLOKOSA-N 1 1 383.444 3.527 50 0 GHAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+](CCO)Cc4ccccc4)[C@H]3C=C12 ZINC000012661779 221218005 /nfs/dbraw/zinc/21/80/05/221218005.db2.gz OZOHJRMQAJVXAU-MZZCSFHOSA-N 1 1 383.532 3.795 50 0 biogenic GHAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N[C@@H]1CCCc2ccccc21 ZINC000012685810 221218124 /nfs/dbraw/zinc/21/81/24/221218124.db2.gz WGLRDWAGGIBHGS-RTWAWAEBSA-N 1 1 392.499 3.789 50 0 GHAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N[C@@H]1CCCc2ccccc21 ZINC000012685810 221218128 /nfs/dbraw/zinc/21/81/28/221218128.db2.gz WGLRDWAGGIBHGS-RTWAWAEBSA-N 1 1 392.499 3.789 50 0 GHAAMO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccc(C)[nH]c4=O)C3)C2)c1 ZINC000012707693 221220095 /nfs/dbraw/zinc/22/00/95/221220095.db2.gz YXYDOEFCVYZBBR-HSZRJFAPSA-N 1 1 379.504 3.532 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4cc(C)ccc4O)C3)C2)c1 ZINC000012714451 221220479 /nfs/dbraw/zinc/22/04/79/221220479.db2.gz UDTCUSDIUULXNP-DEOSSOPVSA-N 1 1 394.515 3.838 50 0 GHAAMO COc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3cc4c(c(OC)c3)OCO4)C2)c1 ZINC000012718800 221221496 /nfs/dbraw/zinc/22/14/96/221221496.db2.gz CUMREKKMCPEMKE-QGZVFWFLSA-N 1 1 383.444 3.527 50 0 GHAAMO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cc4c(c(OC)c3)OCO4)C2)c1 ZINC000012718800 221221500 /nfs/dbraw/zinc/22/15/00/221221500.db2.gz CUMREKKMCPEMKE-QGZVFWFLSA-N 1 1 383.444 3.527 50 0 GHAAMO Cc1cc(C)c(CN2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1C ZINC000012717951 221221665 /nfs/dbraw/zinc/22/16/65/221221665.db2.gz VSJJCYUNECWJDC-FQEVSTJZSA-N 1 1 383.580 3.567 50 0 GHAAMO COCc1cc(C[N@H+]2CCC[C@](CO)(CCOc3ccccc3)C2)ccc1OC ZINC000012586571 221211282 /nfs/dbraw/zinc/21/12/82/221211282.db2.gz WYKPLQGJIQXHMV-DEOSSOPVSA-N 1 1 399.531 3.885 50 0 GHAAMO O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCC[N@@H+](CCCn2cccn2)C1 ZINC000012588995 221211517 /nfs/dbraw/zinc/21/15/17/221211517.db2.gz OQSLIGOSLFCBSE-GOSISDBHSA-N 1 1 395.532 3.747 50 0 GHAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)COc3cccc(F)c3)n2)C1 ZINC000012780735 221230727 /nfs/dbraw/zinc/23/07/27/221230727.db2.gz XIIWZYZDMHRBJK-KBPBESRZSA-N 1 1 377.485 3.778 50 0 GHAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000013056347 221258824 /nfs/dbraw/zinc/25/88/24/221258824.db2.gz FXWQDZNUMLKKNZ-UHFFFAOYSA-N 1 1 381.476 3.618 50 0 GHAAMO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccc(Br)cn1 ZINC000014194775 221303415 /nfs/dbraw/zinc/30/34/15/221303415.db2.gz CTMFAZPHBZEQMB-UHFFFAOYSA-N 1 1 388.309 3.737 50 0 GHAAMO CCN(Cc1cnn(CC)c1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000014962178 221321699 /nfs/dbraw/zinc/32/16/99/221321699.db2.gz GQUNFKVDJKPUNO-NRFANRHFSA-N 1 1 384.568 3.688 50 0 GHAAMO COC(=O)c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccccc3OC)n2)cc1 ZINC000014956554 221320003 /nfs/dbraw/zinc/32/00/03/221320003.db2.gz UFOREDMRUQXYKP-GOSISDBHSA-N 1 1 393.443 3.869 50 0 GHAAMO COC(=O)c1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccccc3OC)n2)cc1 ZINC000014956554 221320007 /nfs/dbraw/zinc/32/00/07/221320007.db2.gz UFOREDMRUQXYKP-GOSISDBHSA-N 1 1 393.443 3.869 50 0 GHAAMO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000015301181 221333643 /nfs/dbraw/zinc/33/36/43/221333643.db2.gz FVXBVWKKYHWXLL-FQEVSTJZSA-N 1 1 398.478 3.783 50 0 GHAAMO CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000015301181 221333647 /nfs/dbraw/zinc/33/36/47/221333647.db2.gz FVXBVWKKYHWXLL-FQEVSTJZSA-N 1 1 398.478 3.783 50 0 GHAAMO O=C(/C=C/c1cccnc1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1F)C2 ZINC000015064987 221327542 /nfs/dbraw/zinc/32/75/42/221327542.db2.gz LVRUJVICZZOKKX-YVSHKSEASA-N 1 1 379.479 3.749 50 0 GHAAMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1noc2c1CSc1ccccc1-2 ZINC000015673981 221338582 /nfs/dbraw/zinc/33/85/82/221338582.db2.gz NXYFODWRFQTDIN-UHFFFAOYSA-N 1 1 391.496 3.735 50 0 GHAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1noc2c1CSc1ccccc1-2 ZINC000015673981 221338583 /nfs/dbraw/zinc/33/85/83/221338583.db2.gz NXYFODWRFQTDIN-UHFFFAOYSA-N 1 1 391.496 3.735 50 0 GHAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1noc2c1CCc1sccc1-2 ZINC000015733239 221342345 /nfs/dbraw/zinc/34/23/45/221342345.db2.gz XIDYTHKBULNLKF-UHFFFAOYSA-N 1 1 393.512 3.680 50 0 GHAAMO Cc1ccc2c(=O)cc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)oc2c1C ZINC000015859908 221349129 /nfs/dbraw/zinc/34/91/29/221349129.db2.gz BVMYKYAQOOUFDS-QGZVFWFLSA-N 1 1 380.444 3.570 50 0 GHAAMO COc1cccc(N2CC[NH+](C[C@@H](O)c3ccccc3C(F)(F)F)CC2)c1 ZINC000058377091 136155338 /nfs/dbraw/zinc/15/53/38/136155338.db2.gz YHNBLLJRZLJQRO-LJQANCHMSA-N 1 1 380.410 3.570 50 0 GHAAMO c1cn(Cc2cccnc2)c([C@@H]2CCCN(c3ncnc4ccsc43)C2)[nH+]1 ZINC000095510523 136180752 /nfs/dbraw/zinc/18/07/52/136180752.db2.gz WUNCSXXGIHBTHJ-MRXNPFEDSA-N 1 1 376.489 3.715 50 0 GHAAMO O=C(C[N@H+]1CCC[C@H](COCc2ccccc2)C1)NCc1ccccc1Cl ZINC000056908459 222026400 /nfs/dbraw/zinc/02/64/00/222026400.db2.gz BEPBVJHDQMYTJH-IBGZPJMESA-N 1 1 386.923 3.885 50 0 GHAAMO O=C(C[N@H+]1CCC[C@@H](COCc2ccccc2)C1)NCc1ccccc1Cl ZINC000056908458 222026740 /nfs/dbraw/zinc/02/67/40/222026740.db2.gz BEPBVJHDQMYTJH-LJQANCHMSA-N 1 1 386.923 3.885 50 0 GHAAMO COc1cc2nc(C[NH2+][C@H](C)c3ccc4ccccc4c3)[nH]c(=O)c2cc1OC ZINC000049609455 222000754 /nfs/dbraw/zinc/00/07/54/222000754.db2.gz BNVQFDTZSHFSHY-CQSZACIVSA-N 1 1 389.455 3.944 50 0 GHAAMO Cc1cccc(-c2ncc(C[N@@H+](C)C[C@H]3CC(=O)N(C4CCCC4)C3)cn2)c1 ZINC000055109208 222015184 /nfs/dbraw/zinc/01/51/84/222015184.db2.gz GXDGCZCONFLFES-GOSISDBHSA-N 1 1 378.520 3.675 50 0 GHAAMO Cc1c2ccccc2oc1-c1noc(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)n1 ZINC000065009926 222095056 /nfs/dbraw/zinc/09/50/56/222095056.db2.gz WDMMLEDNSHNVAU-AWEZNQCLSA-N 1 1 382.464 3.643 50 0 GHAAMO Cc1cc2[nH]c(C(=O)NCc3ccc(C)cc3)c(C[NH+]3CCOCC3)c2s1 ZINC000065139036 222104062 /nfs/dbraw/zinc/10/40/62/222104062.db2.gz JCMNHBZIMOKAMP-UHFFFAOYSA-N 1 1 383.517 3.608 50 0 GHAAMO CC[NH+]1CCN(C(=O)c2cc(-c3ccncc3)cn2Cc2ccccc2C)CC1 ZINC000065209756 222111848 /nfs/dbraw/zinc/11/18/48/222111848.db2.gz XFCNEAXAWJITKT-UHFFFAOYSA-N 1 1 388.515 3.685 50 0 GHAAMO COc1ccc(-n2cc(CN3CC[N@@H+](C)[C@@H](C)C3)c(-c3cccc(F)c3)n2)cc1 ZINC000072478100 222266133 /nfs/dbraw/zinc/26/61/33/222266133.db2.gz WTDJZNXVYWNJNR-KRWDZBQOSA-N 1 1 394.494 3.823 50 0 GHAAMO Cc1nn(C)c(C)c1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000072133050 222210181 /nfs/dbraw/zinc/21/01/81/222210181.db2.gz DLHOBULVHUXOMX-FQEVSTJZSA-N 1 1 386.515 3.549 50 0 GHAAMO Cc1cc(CS(=O)(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)on1 ZINC000072301847 222219839 /nfs/dbraw/zinc/21/98/39/222219839.db2.gz DRVZHBKBLKOINS-UHFFFAOYSA-N 1 1 377.510 3.689 50 0 GHAAMO COc1ccc(-n2cc(C[N@H+]3CCC[C@@H](CO)C3)c(-c3cccc(F)c3)n2)cc1 ZINC000072481665 222267150 /nfs/dbraw/zinc/26/71/50/222267150.db2.gz CLZDZEVYRZQPMH-QGZVFWFLSA-N 1 1 395.478 3.891 50 0 GHAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CCC(=O)NC[C@H]2C)cc1 ZINC000072422126 222256397 /nfs/dbraw/zinc/25/63/97/222256397.db2.gz FBCFNJVLJOJDPY-QGZVFWFLSA-N 1 1 389.499 3.929 50 0 GHAAMO O=C(Nc1ccc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1)c1ccco1 ZINC000085877102 222325553 /nfs/dbraw/zinc/32/55/53/222325553.db2.gz CNOPAFXQIHCVLY-PKOBYXMFSA-N 1 1 381.476 3.526 50 0 biogenic GHAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)c1ccc2nccn2c1 ZINC000095497446 222331782 /nfs/dbraw/zinc/33/17/82/222331782.db2.gz BBYISSSMFQDDAX-SFHVURJKSA-N 1 1 394.494 3.500 50 0 GHAAMO O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCc2[nH]c(-c3ccccc3)nc2C1 ZINC000095501989 222334910 /nfs/dbraw/zinc/33/49/10/222334910.db2.gz QCQXIYAFNDVXGH-QFIPXVFZSA-N 1 1 386.499 3.626 50 0 GHAAMO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCc2nc(-c3ccccc3)[nH]c2C1 ZINC000095501989 222334914 /nfs/dbraw/zinc/33/49/14/222334914.db2.gz QCQXIYAFNDVXGH-QFIPXVFZSA-N 1 1 386.499 3.626 50 0 GHAAMO O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCc2nc(-c3ccccc3)[nH]c2C1 ZINC000095501989 222334917 /nfs/dbraw/zinc/33/49/17/222334917.db2.gz QCQXIYAFNDVXGH-QFIPXVFZSA-N 1 1 386.499 3.626 50 0 GHAAMO Cc1ncsc1CCC(=O)N(CCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000076961911 222271949 /nfs/dbraw/zinc/27/19/49/222271949.db2.gz AGODDVAJWUOUPP-HXUWFJFHSA-N 1 1 385.577 3.797 50 0 GHAAMO COc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2F)C3)c1 ZINC000076961904 222273122 /nfs/dbraw/zinc/27/31/22/222273122.db2.gz LEDVOUHVMFLQJU-QHCPKHFHSA-N 1 1 382.479 3.963 50 0 GHAAMO CCc1nc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cc4ccccc4[nH]3)C2)cs1 ZINC000095524241 222347869 /nfs/dbraw/zinc/34/78/69/222347869.db2.gz FGCQMHGMSGHCCS-HNNXBMFYSA-N 1 1 382.533 3.829 50 0 GHAAMO CCc1nc(C[N@H+]2CCC[C@@H](CNC(=O)c3cc4ccccc4[nH]3)C2)cs1 ZINC000095524241 222347871 /nfs/dbraw/zinc/34/78/71/222347871.db2.gz FGCQMHGMSGHCCS-HNNXBMFYSA-N 1 1 382.533 3.829 50 0 GHAAMO C[N@@H+](Cc1ccsc1)Cc1ccccc1-c1nc([C@H]2CCCO2)cc(=O)[nH]1 ZINC000023153428 523487187 /nfs/dbraw/zinc/48/71/87/523487187.db2.gz PBAULHZWCRIKQJ-LJQANCHMSA-N 1 1 381.501 3.982 50 0 GHAAMO Cc1ccc(C(C)C)c(OC[C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000019809598 570221213 /nfs/dbraw/zinc/22/12/13/570221213.db2.gz VBMFNKGWSVSFOD-LJQANCHMSA-N 1 1 386.511 3.819 50 0 GHAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCS(=O)(=O)C3CCCC3)cc2)C1 ZINC000048227480 570223235 /nfs/dbraw/zinc/22/32/35/570223235.db2.gz XTNICRRQDWBUKH-QGZVFWFLSA-N 1 1 392.565 3.605 50 0 GHAAMO COc1cccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000019832090 570223700 /nfs/dbraw/zinc/22/37/00/570223700.db2.gz XEKXQAQTXQFJBE-UHFFFAOYSA-N 1 1 375.310 3.776 50 0 GHAAMO CCOC(=O)C1=C(C[NH+](C(C)C)C(C)C)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000019857567 570226268 /nfs/dbraw/zinc/22/62/68/570226268.db2.gz UGVSPEDVSKUWPW-HXUWFJFHSA-N 1 1 387.524 3.593 50 0 GHAAMO CSc1cccc(NC(=S)N2CCCC[C@@H]2CC[NH+]2CCOCC2)c1 ZINC000020412865 570254569 /nfs/dbraw/zinc/25/45/69/570254569.db2.gz WOICHSZSCSSFHX-QGZVFWFLSA-N 1 1 379.595 3.682 50 0 GHAAMO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022916878 570255060 /nfs/dbraw/zinc/25/50/60/570255060.db2.gz YPRLORIJLPRXJB-QFIPXVFZSA-N 1 1 382.548 3.570 50 0 GHAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccccc2Cl)C[C@H]1CCO ZINC000104467024 570259194 /nfs/dbraw/zinc/25/91/94/570259194.db2.gz RGKUPESGRBGOFC-HXUWFJFHSA-N 1 1 388.939 3.808 50 0 GHAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2ccccc2Cl)C[C@H]1CCO ZINC000104467024 570259197 /nfs/dbraw/zinc/25/91/97/570259197.db2.gz RGKUPESGRBGOFC-HXUWFJFHSA-N 1 1 388.939 3.808 50 0 GHAAMO Cc1ccc(NC(=O)C[NH+]2CCC(c3nc(-c4cccs4)no3)CC2)cc1 ZINC000049403507 570264675 /nfs/dbraw/zinc/26/46/75/570264675.db2.gz RORRQBITRUSRHE-UHFFFAOYSA-N 1 1 382.489 3.925 50 0 GHAAMO COc1ccccc1C[N@H+]1CCC[C@@H](N2CCN(c3ccccc3C)CC2)C1 ZINC000020537493 570266250 /nfs/dbraw/zinc/26/62/50/570266250.db2.gz 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ZINC000020653318 570274137 /nfs/dbraw/zinc/27/41/37/570274137.db2.gz YPCLSSFTERLOQL-UHFFFAOYSA-N 1 1 375.738 3.817 50 0 GHAAMO CC(=O)c1cccc(-c2cccc(-c3ccn(CC[NH+]4CCOCC4)n3)c2)c1 ZINC000020860031 570282373 /nfs/dbraw/zinc/28/23/73/570282373.db2.gz SLRQICGVSRRRDI-UHFFFAOYSA-N 1 1 375.472 3.752 50 0 GHAAMO CSCCC[N@H+]1CCC[C@H]1c1ccc(C(=O)N2CCc3n[nH]cc3C2)s1 ZINC000020865134 570282725 /nfs/dbraw/zinc/28/27/25/570282725.db2.gz PPYIKTPSPCOSAD-INIZCTEOSA-N 1 1 390.578 3.560 50 0 GHAAMO Fc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CCO4)C2)CC1 ZINC000020906829 570284201 /nfs/dbraw/zinc/28/42/01/570284201.db2.gz LASZIWINTUCKOK-OAQYLSRUSA-N 1 1 395.522 3.547 50 0 GHAAMO CC[N@@H+]1CCc2nc(NC(=O)c3[nH]c4c(c3C)C(=O)CC(C)(C)C4)sc2C1 ZINC000021295385 570289950 /nfs/dbraw/zinc/28/99/50/570289950.db2.gz KESQAHNPXLTAQP-UHFFFAOYSA-N 1 1 386.521 3.565 50 0 GHAAMO CC[N@H+]1CCc2nc(NC(=O)c3[nH]c4c(c3C)C(=O)CC(C)(C)C4)sc2C1 ZINC000021295385 570289955 /nfs/dbraw/zinc/28/99/55/570289955.db2.gz KESQAHNPXLTAQP-UHFFFAOYSA-N 1 1 386.521 3.565 50 0 GHAAMO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)o3)[NH+]3CCCC3)no2)cc1 ZINC000021659794 570294221 /nfs/dbraw/zinc/29/42/21/570294221.db2.gz YHVSTDDBAHAKKS-LJQANCHMSA-N 1 1 395.459 3.819 50 0 GHAAMO O=C(Nc1ccc(N2CC[NH+](Cc3cccs3)CC2)nc1)c1cccc(F)c1 ZINC000034681542 570299800 /nfs/dbraw/zinc/29/98/00/570299800.db2.gz REKNXOPBYJLXFH-UHFFFAOYSA-N 1 1 396.491 3.857 50 0 GHAAMO COc1ccc(C[NH+]2CCC(N(C(C)=O)c3ccccc3)CC2)c(OC)c1OC ZINC000034683468 570300992 /nfs/dbraw/zinc/30/09/92/570300992.db2.gz PTYWPGXJIHFHMW-UHFFFAOYSA-N 1 1 398.503 3.730 50 0 GHAAMO O=C(CN1CCC[N@H+](Cc2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1 ZINC000022357153 570314370 /nfs/dbraw/zinc/31/43/70/570314370.db2.gz VQZLVDZBFUVLLC-UHFFFAOYSA-N 1 1 375.875 3.626 50 0 GHAAMO CC(=O)c1cc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)cs1 ZINC000022912111 570333684 /nfs/dbraw/zinc/33/36/84/570333684.db2.gz KWAVHCODKZCFIX-NRFANRHFSA-N 1 1 383.561 3.737 50 0 GHAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(O)(c1ccccc1)c1ccccc1 ZINC000001692991 570337329 /nfs/dbraw/zinc/33/73/29/570337329.db2.gz LUCHUTHFRXFTCW-SIKLNZKXSA-N 1 1 379.500 3.730 50 0 biogenic GHAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1 ZINC000035560076 570341701 /nfs/dbraw/zinc/34/17/01/570341701.db2.gz IRVOJZPOVMDPOA-QGZVFWFLSA-N 1 1 394.494 3.828 50 0 GHAAMO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@@H+]2CCC[C@@H]2c2cccs2)C1=O ZINC000023818411 570373266 /nfs/dbraw/zinc/37/32/66/570373266.db2.gz NYPCHHPZHDFKOM-XMSQKQJNSA-N 1 1 395.528 3.798 50 0 GHAAMO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+]2CCC[C@@H]2c2cccs2)C1=O ZINC000023818411 570373268 /nfs/dbraw/zinc/37/32/68/570373268.db2.gz NYPCHHPZHDFKOM-XMSQKQJNSA-N 1 1 395.528 3.798 50 0 GHAAMO CCn1nnc2cc(C(=O)N3CC[NH+](Cc4cccc5ccccc54)CC3)ccc21 ZINC000023935168 570375170 /nfs/dbraw/zinc/37/51/70/570375170.db2.gz RGQSIHPEKLVEEB-UHFFFAOYSA-N 1 1 399.498 3.562 50 0 GHAAMO O=C1C[C@H]([NH+]2CCC(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000004784445 570405705 /nfs/dbraw/zinc/40/57/05/570405705.db2.gz JAPZYWROOIPVIC-IBGZPJMESA-N 1 1 386.854 3.991 50 0 GHAAMO CC[NH+]1CCN(C2(CNC(=O)c3ccc(OC(C)C)cc3)CCCCC2)CC1 ZINC000028293515 570457225 /nfs/dbraw/zinc/45/72/25/570457225.db2.gz LDPZQGIQWRUJMU-UHFFFAOYSA-N 1 1 387.568 3.544 50 0 GHAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1)N1CCCCCC1 ZINC000006061163 570465144 /nfs/dbraw/zinc/46/51/44/570465144.db2.gz LFVDPVYUZWXEMZ-QFIPXVFZSA-N 1 1 383.580 3.766 50 0 GHAAMO CC(C)CCNC(=O)[C@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000035893723 570474427 /nfs/dbraw/zinc/47/44/27/570474427.db2.gz XZDIMHPBXLACDW-LADGPHEKSA-N 1 1 391.559 3.712 50 0 GHAAMO O=C(COc1ccc(Cl)cc1Cl)NCC[N@H+]1CCc2ccccc2C1 ZINC000030363483 570488273 /nfs/dbraw/zinc/48/82/73/570488273.db2.gz VPELTBMLJSANAO-UHFFFAOYSA-N 1 1 379.287 3.547 50 0 GHAAMO COc1ccc(C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C2CC2)cc1OC ZINC000036095853 570535438 /nfs/dbraw/zinc/53/54/38/570535438.db2.gz QSJADUAHGBPETG-SFHVURJKSA-N 1 1 391.895 3.762 50 0 GHAAMO CC[NH+]1CCC(CNC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000555936502 570550053 /nfs/dbraw/zinc/55/00/53/570550053.db2.gz NKCPEBGYIAEPOQ-SFHVURJKSA-N 1 1 389.931 3.795 50 0 GHAAMO CC[C@@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022870628 570558628 /nfs/dbraw/zinc/55/86/28/570558628.db2.gz NNLCUWXSTGBFRV-IFMALSPDSA-N 1 1 382.548 3.758 50 0 GHAAMO O[C@H](COC1CCCC1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022917988 570573392 /nfs/dbraw/zinc/57/33/92/570573392.db2.gz JSOPRIGVHFYVKA-QHCPKHFHSA-N 1 1 394.559 3.714 50 0 GHAAMO Cc1cc(C)c(CN2CC[N@H+](C3CCCCC3)[C@H](CCO)C2)c(-n2cccn2)c1 ZINC000039438449 570591603 /nfs/dbraw/zinc/59/16/03/570591603.db2.gz IOVANKWRMWOKRM-JOCHJYFZSA-N 1 1 396.579 3.690 50 0 GHAAMO Cc1c2cc(Cl)ccc2[nH]c1CN1CC[N@@H+](C2CCCC2)[C@H](CCO)C1 ZINC000039460719 570591965 /nfs/dbraw/zinc/59/19/65/570591965.db2.gz SUGFSIWCWZFOTM-GOSISDBHSA-N 1 1 375.944 3.941 50 0 GHAAMO CC[C@H](C)[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COCc1ccccc1 ZINC000169677828 570598023 /nfs/dbraw/zinc/59/80/23/570598023.db2.gz QAYYFTDCJZFZFS-GHTZIAJQSA-N 1 1 387.520 3.882 50 0 GHAAMO COc1ccccc1CC(=O)N(CCc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000012058407 570603352 /nfs/dbraw/zinc/60/33/52/570603352.db2.gz ANWRLMSVAFFDCA-OAQYLSRUSA-N 1 1 380.532 3.651 50 0 GHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1nn(C)c2c1CSc1ccccc1-2 ZINC000006817731 570620265 /nfs/dbraw/zinc/62/02/65/570620265.db2.gz VDHQZNZEOFTUJI-OAHLLOKOSA-N 1 1 384.549 3.687 50 0 GHAAMO COc1ccc([C@@H]2CC(c3cccc(F)c3)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000036345167 570627416 /nfs/dbraw/zinc/62/74/16/570627416.db2.gz UOKDVXLKQKJYND-QFIPXVFZSA-N 1 1 395.478 3.998 50 0 GHAAMO Cc1ccc(C(=O)c2c[nH+]c3cc4c(cc3c2N2CCOCC2)OCO4)cc1C ZINC000036060469 570667666 /nfs/dbraw/zinc/66/76/66/570667666.db2.gz NGMMALNASFGIFU-UHFFFAOYSA-N 1 1 390.439 3.648 50 0 GHAAMO O=C(CC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1)Nc1ccc(Cl)cc1 ZINC000155758222 570688169 /nfs/dbraw/zinc/68/81/69/570688169.db2.gz MWVJUZZTQJSXDU-OAHLLOKOSA-N 1 1 383.883 3.591 50 0 GHAAMO CC[N@H+]1CC[C@H](CN2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)C1 ZINC000244852799 570697221 /nfs/dbraw/zinc/69/72/21/570697221.db2.gz UZFBTORZULAROL-NRFANRHFSA-N 1 1 392.547 3.904 50 0 GHAAMO O=C(CN1CCC[N@H+](Cc2ccc(F)cc2)CC1)Nc1cccc2ncccc21 ZINC000025075702 570722495 /nfs/dbraw/zinc/72/24/95/570722495.db2.gz IAEBUNUOMULSIV-UHFFFAOYSA-N 1 1 392.478 3.520 50 0 GHAAMO Cc1cc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c(C)n1Cc1ccco1 ZINC000025452235 570753155 /nfs/dbraw/zinc/75/31/55/570753155.db2.gz FECWXDLIRIOPFV-UHFFFAOYSA-N 1 1 399.535 3.511 50 0 GHAAMO c1ccc(C[N@H+]2CCCN(c3ncccc3-c3nc(C4CC4)no3)CC2)cc1 ZINC000065257940 570758951 /nfs/dbraw/zinc/75/89/51/570758951.db2.gz BKFXVAIWVCQFFO-UHFFFAOYSA-N 1 1 375.476 3.721 50 0 GHAAMO Cc1cc(C)c(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccc(C(N)=O)s2)c(C)c1 ZINC000065388161 570764414 /nfs/dbraw/zinc/76/44/14/570764414.db2.gz DKWALNDDFRJNMJ-MRXNPFEDSA-N 1 1 385.533 3.938 50 0 GHAAMO COc1ccccc1NC(=O)C[NH+]1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189817897 570773925 /nfs/dbraw/zinc/77/39/25/570773925.db2.gz HYUXQFCKQJIEML-UHFFFAOYSA-N 1 1 379.460 3.963 50 0 GHAAMO CC[N@@H+](CCNC(=O)c1cn2ccnc(-c3ccccc3)c2n1)Cc1ccccc1 ZINC000065274540 570776945 /nfs/dbraw/zinc/77/69/45/570776945.db2.gz ILQVYZPOARULDK-UHFFFAOYSA-N 1 1 399.498 3.648 50 0 GHAAMO Cc1cccc(N2CCN(C(=O)C[N@H+]3CCC[C@H]3c3cccs3)CC2)c1C ZINC000007216267 570816876 /nfs/dbraw/zinc/81/68/76/570816876.db2.gz PPXKRHIZUYVLCO-FQEVSTJZSA-N 1 1 383.561 3.851 50 0 GHAAMO O=C1C[C@@H]([N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)C(=O)N1c1ccccc1 ZINC000101490593 570824881 /nfs/dbraw/zinc/82/48/81/570824881.db2.gz XNHGRUFQMFHVIX-MAUKXSAKSA-N 1 1 391.496 3.808 50 0 GHAAMO O=C1C[C@@H]([N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)C(=O)N1c1ccccc1 ZINC000101490593 570824885 /nfs/dbraw/zinc/82/48/85/570824885.db2.gz XNHGRUFQMFHVIX-MAUKXSAKSA-N 1 1 391.496 3.808 50 0 GHAAMO Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+]1CCCC[C@H]1CCO)c1ccccc1 ZINC000102306568 570844410 /nfs/dbraw/zinc/84/44/10/570844410.db2.gz VESGNTBUUJOFAR-WPFOTENUSA-N 1 1 383.532 3.699 50 0 GHAAMO C[C@H]1CCSCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000170616725 570874141 /nfs/dbraw/zinc/87/41/41/570874141.db2.gz WMZUOCOKKITUHT-HNNXBMFYSA-N 1 1 376.522 3.884 50 0 GHAAMO C[C@H]1CCSCC[N@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000170616725 570874142 /nfs/dbraw/zinc/87/41/42/570874142.db2.gz WMZUOCOKKITUHT-HNNXBMFYSA-N 1 1 376.522 3.884 50 0 GHAAMO CC(C)n1ncc2cc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)cnc21 ZINC000032900193 570894215 /nfs/dbraw/zinc/89/42/15/570894215.db2.gz VGSYCESAMDOINX-GOSISDBHSA-N 1 1 381.480 3.562 50 0 GHAAMO CCOc1ccc(-c2cc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)[nH]n2)cc1 ZINC000006942489 570906439 /nfs/dbraw/zinc/90/64/39/570906439.db2.gz YQXNKAAFAAKUEX-UHFFFAOYSA-N 1 1 392.503 3.727 50 0 GHAAMO CCCn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccc(OC(C)C)cc3)CC2)cn1 ZINC000089960714 570921516 /nfs/dbraw/zinc/92/15/16/570921516.db2.gz MRMKELWOSCNOAR-UHFFFAOYSA-N 1 1 399.539 3.820 50 0 GHAAMO CCCn1cc(C[N@H+]2CCCN(C(=O)Nc3ccc(OC(C)C)cc3)CC2)cn1 ZINC000089960714 570921519 /nfs/dbraw/zinc/92/15/19/570921519.db2.gz MRMKELWOSCNOAR-UHFFFAOYSA-N 1 1 399.539 3.820 50 0 GHAAMO Cc1c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cnn1-c1cccc(C(F)(F)F)c1 ZINC000046993001 570938058 /nfs/dbraw/zinc/93/80/58/570938058.db2.gz ZEOBAGUPIGSBKK-QZTJIDSGSA-N 1 1 392.425 3.556 50 0 GHAAMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)Cc1ccccc1OC(F)(F)F ZINC000106138158 570948642 /nfs/dbraw/zinc/94/86/42/570948642.db2.gz LTMZFMRMGZBBPA-CABCVRRESA-N 1 1 387.446 3.847 50 0 GHAAMO NC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000032111906 570961302 /nfs/dbraw/zinc/96/13/02/570961302.db2.gz NOKBZPNMGZTZHO-UHFFFAOYSA-N 1 1 385.467 3.596 50 0 GHAAMO Cc1ccc(C)c(CS(=O)(=O)N2CCC(C[N@@H+]3CCC[C@H](C)C3)CC2)c1 ZINC000033312368 570971792 /nfs/dbraw/zinc/97/17/92/570971792.db2.gz DVOGGIRVZPQFJC-SFHVURJKSA-N 1 1 378.582 3.577 50 0 GHAAMO CC(C)c1noc([C@@H](C)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)n1 ZINC000044585337 570975325 /nfs/dbraw/zinc/97/53/25/570975325.db2.gz RBUFJBHBRKCZBK-OAHLLOKOSA-N 1 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O=C([C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CCCCCCC1 ZINC000091965929 571038104 /nfs/dbraw/zinc/03/81/04/571038104.db2.gz FMASRTJJGZVDFW-JOCHJYFZSA-N 1 1 398.595 3.551 50 0 GHAAMO Cc1nc[nH]c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1c(Cl)cncc1Cl)C2 ZINC000095360696 571054912 /nfs/dbraw/zinc/05/49/12/571054912.db2.gz SECXSJBIIGPADT-UONOGXRCSA-N 1 1 380.323 3.516 50 0 GHAAMO Cc1nc[nH]c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1c(Cl)cncc1Cl)C2 ZINC000095360696 571054917 /nfs/dbraw/zinc/05/49/17/571054917.db2.gz SECXSJBIIGPADT-UONOGXRCSA-N 1 1 380.323 3.516 50 0 GHAAMO O=C(c1cccnc1)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095379567 571066684 /nfs/dbraw/zinc/06/66/84/571066684.db2.gz FWXUXPBEIDRITJ-NRFANRHFSA-N 1 1 375.516 3.956 50 0 GHAAMO COc1ccc(C[NH+]2CCC(F)(c3nc(Cc4ccccc4)no3)CC2)cc1O ZINC000257184317 838854718 /nfs/dbraw/zinc/85/47/18/838854718.db2.gz IKIPTTQAAPRWLJ-UHFFFAOYSA-N 1 1 397.450 3.835 50 0 GHAAMO C[N@H+]1C[C@@H]2CCCN3CCC[C@H]([C@H]1CCCC(=O)NCC1CCCCC1)[C@H]23 ZINC000257197309 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376.566 3.811 50 0 GHAAMO CC(C)NC(=O)c1ccccc1OC[C@@H]1CCC[N@H+](C2CCSCC2)C1 ZINC000169792477 859802622 /nfs/dbraw/zinc/80/26/22/859802622.db2.gz WYWLYVQFSUIQLW-QGZVFWFLSA-N 1 1 376.566 3.811 50 0 GHAAMO COc1ccc(CNC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000390828555 860503817 /nfs/dbraw/zinc/50/38/17/860503817.db2.gz RWTOEZMPPFKTFW-KKSHJYNMSA-N 1 1 395.547 3.800 50 0 GHAAMO Cc1cnc([C@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)o1 ZINC000095458199 860590338 /nfs/dbraw/zinc/59/03/38/860590338.db2.gz JTYLGRGAFTWYAT-STQMWFEESA-N 1 1 393.285 3.552 50 0 GHAAMO Cc1cnc([C@H](C)[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)o1 ZINC000095458199 860590343 /nfs/dbraw/zinc/59/03/43/860590343.db2.gz JTYLGRGAFTWYAT-STQMWFEESA-N 1 1 393.285 3.552 50 0 GHAAMO CCOC(=O)/C=C\c1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000096130056 860793281 /nfs/dbraw/zinc/79/32/81/860793281.db2.gz AQZWGANRHSDMEA-YXAHYSCSSA-N 1 1 393.487 3.784 50 0 GHAAMO CCOC(=O)/C=C\c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000096130056 860793285 /nfs/dbraw/zinc/79/32/85/860793285.db2.gz AQZWGANRHSDMEA-YXAHYSCSSA-N 1 1 393.487 3.784 50 0 GHAAMO C[C@H](NC(=O)Nc1cccc(Cl)c1)[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000022460603 861127964 /nfs/dbraw/zinc/12/79/64/861127964.db2.gz HFZBCRBVOKBVCC-KSSFIOAISA-N 1 1 392.956 3.900 50 0 GHAAMO C[C@@H](NC(=O)Nc1cccc(Cl)c1)[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000022460610 861127975 /nfs/dbraw/zinc/12/79/75/861127975.db2.gz HFZBCRBVOKBVCC-KDOFPFPSSA-N 1 1 392.956 3.900 50 0 GHAAMO Cc1cc(NC(=O)c2ccc(N3CCCCC3)cc2)ccc1NC(=O)C[NH+](C)C ZINC000823676236 863156241 /nfs/dbraw/zinc/15/62/41/863156241.db2.gz ZACITAQBOZQBAU-UHFFFAOYSA-N 1 1 394.519 3.738 50 0 GHAAMO Cc1ccc(N2CCC(C(=O)N3CC[C@H](COCc4ccccc4)C3)CC2)[nH+]c1 ZINC000172804945 864007220 /nfs/dbraw/zinc/00/72/20/864007220.db2.gz IYPWCLJHMHWFMD-NRFANRHFSA-N 1 1 393.531 3.672 50 0 GHAAMO O=C(c1cc2ccccc2[nH]1)N1CC[C@@H]2COCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000581781540 869964584 /nfs/dbraw/zinc/96/45/84/869964584.db2.gz LNQVLFGAELMYIL-NFBKMPQASA-N 1 1 389.499 3.531 50 0 GHAAMO CC(C)(C)NC(=O)N1CCC([N@H+]2C[C@@H](OCC3CC3)C23CCCCC3)CC1 ZINC000581803210 870021044 /nfs/dbraw/zinc/02/10/44/870021044.db2.gz SYMAOGMWWXHNBK-LJQANCHMSA-N 1 1 377.573 3.773 50 0 GHAAMO C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181346985 870893366 /nfs/dbraw/zinc/89/33/66/870893366.db2.gz RBOHKBOKVAJNHW-ZDUSSCGKSA-N 1 1 380.485 3.652 50 0 GHAAMO Cc1[nH+]ccn1Cc1cccc(-c2noc([C@@H](C)NC(=O)CC(C)(C)C)n2)c1 ZINC000585084039 897103402 /nfs/dbraw/zinc/10/34/02/897103402.db2.gz JMJIVSNLTNIXPS-CQSZACIVSA-N 1 1 381.480 3.903 50 0 GHAAMO COCCc1noc([C@@H]2CCCC[N@H+]2C2CCN(c3ccccc3C)CC2)n1 ZINC000952871783 904635688 /nfs/dbraw/zinc/63/56/88/904635688.db2.gz BBVUJHODRXSYNH-FQEVSTJZSA-N 1 1 384.524 3.763 50 0 GHAAMO COc1ccc(-c2cccc(C(=O)N3CC[N@@H+](CC(C)C)[C@@H](CCO)C3)c2)cc1 ZINC000952873175 904635711 /nfs/dbraw/zinc/63/57/11/904635711.db2.gz WKVFTJVFCBBXPJ-QFIPXVFZSA-N 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/nfs/dbraw/zinc/66/10/30/904661030.db2.gz KUBSVSZESKHTIL-UHFFFAOYSA-N 1 1 376.909 3.901 50 0 GHAAMO CCc1[nH+]ccn1[C@H]1CCCN(CC(=O)N(CC)c2nc3ccccc3s2)C1 ZINC000106215586 905671043 /nfs/dbraw/zinc/67/10/43/905671043.db2.gz WYYDCOFMJJAEFO-INIZCTEOSA-N 1 1 397.548 3.745 50 0 GHAAMO COc1cccc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@@H+]24)c1 ZINC000019842033 919598927 /nfs/dbraw/zinc/59/89/27/919598927.db2.gz GXDQBRMGXKMZNS-PTLVVNQVSA-N 1 1 392.499 3.642 50 0 GHAAMO COCC1(C2CCC2)CN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000664208883 930492224 /nfs/dbraw/zinc/49/22/24/930492224.db2.gz ANACNORFYICFNZ-VQIMIIECSA-N 1 1 391.581 3.589 50 0 GHAAMO CCCOc1c(Cl)cc(C=Cc2nc3c(c(=O)[nH]2)C[N@@H+](C)CC3)cc1OC ZINC000253630321 1021164437 /nfs/dbraw/zinc/16/44/37/1021164437.db2.gz PCNQLHIRJAMFHN-AATRIKPKSA-N 1 1 389.883 3.791 50 0 GHAAMO O=C1O[C@@H]2C[N@H+](Cc3ccccc3-c3ccco3)C[C@@H]2N1Cc1ccccn1 ZINC000055243619 1021752709 /nfs/dbraw/zinc/75/27/09/1021752709.db2.gz ZKOFZFWNZRCCCX-PZJWPPBQSA-N 1 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Cn1cc(C[C@H]2CC[N@H+]([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C2)cn1 ZINC000328594286 212083362 /nfs/dbraw/zinc/08/33/62/212083362.db2.gz PSORVTMGAFRIOZ-VGSWGCGISA-N 1 1 392.478 3.804 50 0 GHAAMO COc1ccccc1[C@@H](CNC(=O)COc1cc(C)ccc1C(C)C)[NH+](C)C ZINC000007671222 221006085 /nfs/dbraw/zinc/00/60/85/221006085.db2.gz DZALFGIYBJCLSO-HXUWFJFHSA-N 1 1 384.520 3.925 50 0 GHAAMO Cc1cc(Nc2cccc(S(N)(=O)=O)c2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000007572335 221002547 /nfs/dbraw/zinc/00/25/47/221002547.db2.gz ZBIATEBWKWFRQC-UHFFFAOYSA-N 1 1 381.379 3.953 50 0 GHAAMO Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C)cc2C)cc1 ZINC000007920931 221016548 /nfs/dbraw/zinc/01/65/48/221016548.db2.gz KBIFJBLLHHEXJD-LJQANCHMSA-N 1 1 381.520 3.529 50 0 GHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1F ZINC000008884573 221062592 /nfs/dbraw/zinc/06/25/92/221062592.db2.gz YWUICRSNHAFEAB-CYBMUJFWSA-N 1 1 387.846 3.691 50 0 GHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1F ZINC000008884573 221062593 /nfs/dbraw/zinc/06/25/93/221062593.db2.gz YWUICRSNHAFEAB-CYBMUJFWSA-N 1 1 387.846 3.691 50 0 GHAAMO C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000008532434 221042872 /nfs/dbraw/zinc/04/28/72/221042872.db2.gz GIFPENRIQYBZAL-HNNXBMFYSA-N 1 1 378.875 3.537 50 0 GHAAMO C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000008532434 221042875 /nfs/dbraw/zinc/04/28/75/221042875.db2.gz GIFPENRIQYBZAL-HNNXBMFYSA-N 1 1 378.875 3.537 50 0 GHAAMO O=C([C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccccc1)N1CCCCC1 ZINC000008709354 221050422 /nfs/dbraw/zinc/05/04/22/221050422.db2.gz LZMOFVVKQWCMDU-HSZRJFAPSA-N 1 1 391.515 3.657 50 0 GHAAMO C[N@@H+](CCCNc1c(=O)c(=O)c1-c1ccc2c(c1)CCCC2)Cc1ccccc1 ZINC000009228143 221074416 /nfs/dbraw/zinc/07/44/16/221074416.db2.gz RQJKQEYPARNDSY-UHFFFAOYSA-N 1 1 388.511 3.762 50 0 GHAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)CC(C)(C)C)CC3)n2)cc1 ZINC000009573233 221084870 /nfs/dbraw/zinc/08/48/70/221084870.db2.gz XVGIPVPCRHMSRR-UHFFFAOYSA-N 1 1 381.524 3.922 50 0 GHAAMO COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)C[NH+]2CCCCC2)cc1O ZINC000010433997 221102788 /nfs/dbraw/zinc/10/27/88/221102788.db2.gz SDWGOKHNXBHAQL-QGZVFWFLSA-N 1 1 399.516 3.626 50 0 GHAAMO O=C(C[N@H+]1CCC[C@H]1c1ccccc1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000010090859 221096270 /nfs/dbraw/zinc/09/62/70/221096270.db2.gz FTLCCQJDVROQPH-QFIPXVFZSA-N 1 1 391.515 3.701 50 0 GHAAMO Cc1cccnc1C(=O)N1CCC([C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000011878970 221134927 /nfs/dbraw/zinc/13/49/27/221134927.db2.gz RHUFJTLOYGHNAF-QFIPXVFZSA-N 1 1 377.532 3.807 50 0 GHAAMO O=C(CCc1ccccn1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000011936995 221139569 /nfs/dbraw/zinc/13/95/69/221139569.db2.gz YDSWAJGUULKFRM-QHCPKHFHSA-N 1 1 399.485 3.807 50 0 GHAAMO CC(C)c1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000011935665 221139626 /nfs/dbraw/zinc/13/96/26/221139626.db2.gz ZWUYDSDWRGMUHZ-SFHVURJKSA-N 1 1 386.515 3.699 50 0 GHAAMO CC(C)c1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)n[nH]1 ZINC000011935665 221139630 /nfs/dbraw/zinc/13/96/30/221139630.db2.gz ZWUYDSDWRGMUHZ-SFHVURJKSA-N 1 1 386.515 3.699 50 0 GHAAMO CC(C)c1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)n[nH]1 ZINC000011935665 221139634 /nfs/dbraw/zinc/13/96/34/221139634.db2.gz ZWUYDSDWRGMUHZ-SFHVURJKSA-N 1 1 386.515 3.699 50 0 GHAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)/C=C/c4ccncc4)C3)C2)c1 ZINC000011938106 221139732 /nfs/dbraw/zinc/13/97/32/221139732.db2.gz DRQMIQOLEGQYLF-JXSPYEIYSA-N 1 1 391.515 3.618 50 0 GHAAMO Cc1noc(C)c1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000012073584 221147237 /nfs/dbraw/zinc/14/72/37/221147237.db2.gz UJOYEAVZGCUQAV-OAQYLSRUSA-N 1 1 383.536 3.813 50 0 GHAAMO COc1cccc([C@@H](C)N(C)C(=O)c2cc(Cn3cc[nH+]c3C(C)C)n[nH]2)c1 ZINC000012302953 221176931 /nfs/dbraw/zinc/17/69/31/221176931.db2.gz JQFPBUQMEVRRRS-OAHLLOKOSA-N 1 1 381.480 3.620 50 0 GHAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)CCc1cccnc1 ZINC000012303964 221178326 /nfs/dbraw/zinc/17/83/26/221178326.db2.gz 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Cc1noc(C)c1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000012586303 221209609 /nfs/dbraw/zinc/20/96/09/221209609.db2.gz ZACDSIUWEXJXHJ-NRFANRHFSA-N 1 1 389.446 3.698 50 0 GHAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1 ZINC000012387484 221188022 /nfs/dbraw/zinc/18/80/22/221188022.db2.gz MDJWLPAQWGUCNJ-KRZKXXONSA-N 1 1 382.479 3.990 50 0 GHAAMO CC(=O)NCC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(F)cc2F)oc1C ZINC000012594484 221212540 /nfs/dbraw/zinc/21/25/40/221212540.db2.gz CAKGTFPEYLJDEW-MRXNPFEDSA-N 1 1 377.435 3.809 50 0 GHAAMO COc1cc(C(=O)N[C@H]2CCC[N@H+](C3CCCCCC3)C2)cc(OC)c1OC ZINC000012757657 221226475 /nfs/dbraw/zinc/22/64/75/221226475.db2.gz PMCNWDQRNLRHFK-KRWDZBQOSA-N 1 1 390.524 3.629 50 0 GHAAMO O=C(CCc1ccc2c(c1)OCO2)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000012870132 221240561 /nfs/dbraw/zinc/24/05/61/221240561.db2.gz XKFRFMGNJYJSBS-UHFFFAOYSA-N 1 1 387.505 3.819 50 0 GHAAMO C[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1Br ZINC000012927892 221248171 /nfs/dbraw/zinc/24/81/71/221248171.db2.gz YXUZNBMUAFEEOR-NSHDSACASA-N 1 1 392.684 3.961 50 0 GHAAMO COc1ccc(C(=O)N2CC[NH+](Cc3csc4ccccc34)CC2)c(OC)c1 ZINC000013008671 221256450 /nfs/dbraw/zinc/25/64/50/221256450.db2.gz BJKZOWRJTQZGKW-UHFFFAOYSA-N 1 1 396.512 3.877 50 0 GHAAMO CSc1ncc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2F)C3)cn1 ZINC000014964220 221322226 /nfs/dbraw/zinc/32/22/26/221322226.db2.gz CFJVSSVPWKHMQS-OAQYLSRUSA-N 1 1 386.540 3.826 50 0 GHAAMO CC(=O)c1[nH]c(C)c(C(=O)N(C)[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c1C ZINC000014956900 221319872 /nfs/dbraw/zinc/31/98/72/221319872.db2.gz NZRKZRONEQCBHG-FQEVSTJZSA-N 1 1 393.531 3.538 50 0 GHAAMO CC(C)CC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000014953349 221320947 /nfs/dbraw/zinc/32/09/47/221320947.db2.gz JGLCEJLCRZFCTC-SFHVURJKSA-N 1 1 378.944 3.668 50 0 GHAAMO COc1cc(Cl)c(C[N@H+]2CCC(=O)N(CC3CCCCC3)CC2)cc1OC ZINC000014996339 221324719 /nfs/dbraw/zinc/32/47/19/221324719.db2.gz KDLUENKBBSSFRV-UHFFFAOYSA-N 1 1 394.943 3.972 50 0 GHAAMO COc1cc(Cl)c(C[N@@H+]2CCC(=O)N(CC3CCCCC3)CC2)cc1OC ZINC000014996339 221324724 /nfs/dbraw/zinc/32/47/24/221324724.db2.gz KDLUENKBBSSFRV-UHFFFAOYSA-N 1 1 394.943 3.972 50 0 GHAAMO Cc1nc2sccn2c1C[N@@H+]1CCC[C@@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000015064558 221327567 /nfs/dbraw/zinc/32/75/67/221327567.db2.gz FXGLUEPDWFHVSQ-OAHLLOKOSA-N 1 1 383.473 3.528 50 0 GHAAMO Cc1nc2sccn2c1C[N@H+]1CCC[C@@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000015064558 221327571 /nfs/dbraw/zinc/32/75/71/221327571.db2.gz FXGLUEPDWFHVSQ-OAHLLOKOSA-N 1 1 383.473 3.528 50 0 GHAAMO O=C(c1ccc2c(c1)OCO2)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000015065288 221330207 /nfs/dbraw/zinc/33/02/07/221330207.db2.gz ZQKANGFOJJQBHT-HSZRJFAPSA-N 1 1 396.462 3.683 50 0 GHAAMO C[N@@H+](CCNC(=O)c1noc2c1CSc1ccccc1-2)Cc1ccccc1 ZINC000015673991 221339089 /nfs/dbraw/zinc/33/90/89/221339089.db2.gz ULWGWAKFXWGCPT-UHFFFAOYSA-N 1 1 379.485 3.809 50 0 GHAAMO O=C([C@@H]1CCC[N@H+](C2CCN(c3ccc4ccccc4n3)CC2)C1)N1CCCC1 ZINC000071745900 136165986 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GHAAMO Cc1cc(N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3C)nc2cc3c(cc12)CCC3 ZINC000095519998 136181214 /nfs/dbraw/zinc/18/12/14/136181214.db2.gz FNVNJCOTOWWBSW-UHFFFAOYSA-N 1 1 387.531 3.739 50 0 GHAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCSc2ccccc21 ZINC000016339465 136201962 /nfs/dbraw/zinc/20/19/62/136201962.db2.gz LLABMOFFPGBZKH-QGZVFWFLSA-N 1 1 396.512 3.734 50 0 GHAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCSc2ccccc21 ZINC000016339465 136201963 /nfs/dbraw/zinc/20/19/63/136201963.db2.gz LLABMOFFPGBZKH-QGZVFWFLSA-N 1 1 396.512 3.734 50 0 GHAAMO C[NH+](C)[C@@H](CNC(=O)/C=C/c1cnc2ccccc2n1)c1ccccc1Cl ZINC000023080285 221580474 /nfs/dbraw/zinc/58/04/74/221580474.db2.gz BTUACYKXCSSONW-SGWGQVFISA-N 1 1 380.879 3.716 50 0 GHAAMO C[C@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000057355011 222032205 /nfs/dbraw/zinc/03/22/05/222032205.db2.gz BJRFCGWYTDGIFA-QGZVFWFLSA-N 1 1 381.520 3.854 50 0 GHAAMO COCC[NH+]1CCC(CN(Cc2ccncc2)Cc2cccc(C(C)=O)c2)CC1 ZINC000055183218 222017786 /nfs/dbraw/zinc/01/77/86/222017786.db2.gz SPIIOLMDGPKAOM-UHFFFAOYSA-N 1 1 395.547 3.645 50 0 GHAAMO C[N@H+](Cc1ccccc1)[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000058085725 222039553 /nfs/dbraw/zinc/03/95/53/222039553.db2.gz MPZOKSLNMBTHTM-QFIPXVFZSA-N 1 1 380.513 3.838 50 0 GHAAMO C[N@@H+](Cc1ccccc1)[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000058085725 222039559 /nfs/dbraw/zinc/03/95/59/222039559.db2.gz MPZOKSLNMBTHTM-QFIPXVFZSA-N 1 1 380.513 3.838 50 0 GHAAMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000058196887 222044256 /nfs/dbraw/zinc/04/42/56/222044256.db2.gz QYXYOBIQUMFTIX-AWEZNQCLSA-N 1 1 380.916 3.742 50 0 GHAAMO COc1ccccc1[C@@H](CNCc1csc(-c2ncccn2)n1)[NH+]1CCCC1 ZINC000058202611 222046238 /nfs/dbraw/zinc/04/62/38/222046238.db2.gz QHSWUBLNFKGTAU-GOSISDBHSA-N 1 1 395.532 3.535 50 0 GHAAMO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1CCCOc1ccc2c(c1)OCO2 ZINC000060269178 222059929 /nfs/dbraw/zinc/05/99/29/222059929.db2.gz XUIMCABUVCFFTC-MRXNPFEDSA-N 1 1 392.496 3.563 50 0 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O=C(C[N@@H+]1CCc2sccc2[C@H]1C1CC1)N1CCN(c2ccccc2F)CC1 ZINC000007255670 570821255 /nfs/dbraw/zinc/82/12/55/570821255.db2.gz NZKACKSGISITKF-JOCHJYFZSA-N 1 1 399.535 3.545 50 0 GHAAMO O=C(C[N@H+]1CCc2sccc2[C@H]1C1CC1)N1CCN(c2ccccc2F)CC1 ZINC000007255670 570821259 /nfs/dbraw/zinc/82/12/59/570821259.db2.gz NZKACKSGISITKF-JOCHJYFZSA-N 1 1 399.535 3.545 50 0 GHAAMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000007436538 570843410 /nfs/dbraw/zinc/84/34/10/570843410.db2.gz XWIIZZNJNMVLTP-GHTZIAJQSA-N 1 1 394.515 3.556 50 0 GHAAMO CCOC(=O)c1ccc(NC(=S)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000004710563 570857522 /nfs/dbraw/zinc/85/75/22/570857522.db2.gz YZLWVCPHNTVTKX-UHFFFAOYSA-N 1 1 397.544 3.768 50 0 GHAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(c3ncncc3C(C)C)C2)cc1OC ZINC000072144786 570870952 /nfs/dbraw/zinc/87/09/52/570870952.db2.gz HPQBXZYXFLVIFQ-LJQANCHMSA-N 1 1 398.551 3.761 50 0 GHAAMO COc1ccc2c(C[N@H+](C)Cc3cnn(-c4ccccc4)c3)cc(=O)oc2c1 ZINC000015037701 570873119 /nfs/dbraw/zinc/87/31/19/570873119.db2.gz HHUIFDJKJPPKLS-UHFFFAOYSA-N 1 1 375.428 3.619 50 0 GHAAMO COc1ccc2c(C[N@@H+](C)Cc3cnn(-c4ccccc4)c3)cc(=O)oc2c1 ZINC000015037701 570873122 /nfs/dbraw/zinc/87/31/22/570873122.db2.gz HHUIFDJKJPPKLS-UHFFFAOYSA-N 1 1 375.428 3.619 50 0 GHAAMO COc1ccc(-c2cccc(C(=O)N(C)[C@H]3CC[N@@H+](C)C3)c2)c2cccnc12 ZINC000534645917 570909940 /nfs/dbraw/zinc/90/99/40/570909940.db2.gz YHKDQPUAXSYUSY-SFHVURJKSA-N 1 1 375.472 3.687 50 0 GHAAMO CSc1cccc(NC(=O)C[NH+]2CCC(c3nnc4cc(C)ccn43)CC2)c1 ZINC000252539495 570992694 /nfs/dbraw/zinc/99/26/94/570992694.db2.gz ODAITFHCEONEGE-UHFFFAOYSA-N 1 1 395.532 3.578 50 0 GHAAMO Cc1cnc(CN2C[C@@]3(CCC[N@@H+](Cc4c(C)cccc4C)C3)CCC2=O)cn1 ZINC000091646161 571022807 /nfs/dbraw/zinc/02/28/07/571022807.db2.gz WIUMBHHUEYKKQT-DEOSSOPVSA-N 1 1 392.547 3.807 50 0 GHAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1Cl ZINC000012779200 571032715 /nfs/dbraw/zinc/03/27/15/571032715.db2.gz AJJUUYMLSZHMAD-UHFFFAOYSA-N 1 1 391.943 3.702 50 0 GHAAMO Cc1cnc(CN2C[C@]3(CCC[N@@H+](C/C=C/c4ccccc4)C3)CCC2=O)cn1 ZINC000091934263 571036429 /nfs/dbraw/zinc/03/64/29/571036429.db2.gz HSLBNYZANGGWEY-ZHMUPQBKSA-N 1 1 390.531 3.703 50 0 GHAAMO O=C(NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2)c1ccc2[nH]ccc2c1 ZINC000091950968 571037248 /nfs/dbraw/zinc/03/72/48/571037248.db2.gz QLYGABQVDNFDLN-UHFFFAOYSA-N 1 1 391.519 3.833 50 0 GHAAMO CC(C)[NH+]1CCC(CC(=O)NC[C@@H](c2ccccc2F)N2CCCC2)CC1 ZINC000095370901 571061357 /nfs/dbraw/zinc/06/13/57/571061357.db2.gz YFQMRBBEXQFTFL-NRFANRHFSA-N 1 1 375.532 3.589 50 0 GHAAMO O=C([C@H](c1cccnc1)[NH+]1CCCC1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000095386869 571070408 /nfs/dbraw/zinc/07/04/08/571070408.db2.gz RXYREMDRYBCMQV-NRFANRHFSA-N 1 1 394.906 3.938 50 0 GHAAMO COCCO[C@H]1C[N@@H+](C2CCN(C(=O)CC3CCCC3)CC2)C12CCCCC2 ZINC000581803576 837689550 /nfs/dbraw/zinc/68/95/50/837689550.db2.gz YNZJTZMDEHLWQO-NRFANRHFSA-N 1 1 392.584 3.608 50 0 GHAAMO C[C@H]1CCC[N@H+]([C@H]2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)C1 ZINC000023379568 836848969 /nfs/dbraw/zinc/84/89/69/836848969.db2.gz VRGBEIHHTKTCIC-HOCLYGCPSA-N 1 1 378.900 3.682 50 0 GHAAMO O=C(c1ccc(OC(F)(F)F)cc1)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225685420 861249094 /nfs/dbraw/zinc/24/90/94/861249094.db2.gz WFCKNWFLOUCVOY-GOSISDBHSA-N 1 1 390.405 3.858 50 0 GHAAMO COc1cc(C[N@H+](C)CC(=O)NCc2ccccc2Cl)ccc1OC(F)F ZINC000003393640 862383151 /nfs/dbraw/zinc/38/31/51/862383151.db2.gz AFCRTQSTXBVKSQ-UHFFFAOYSA-N 1 1 398.837 3.698 50 0 GHAAMO COc1cc(C[N@@H+](C)CC(=O)NCc2ccccc2Cl)ccc1OC(F)F ZINC000003393640 862383169 /nfs/dbraw/zinc/38/31/69/862383169.db2.gz AFCRTQSTXBVKSQ-UHFFFAOYSA-N 1 1 398.837 3.698 50 0 GHAAMO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(-c4ccccc4)[nH]3)CC2)cn1 ZINC000171810310 862818318 /nfs/dbraw/zinc/81/83/18/862818318.db2.gz PBDOEACVHNBOBG-UHFFFAOYSA-N 1 1 391.519 3.636 50 0 GHAAMO CCCn1cc(C[N@H+]2CCCN(C(=O)c3ccc(-c4ccccc4)[nH]3)CC2)cn1 ZINC000171810310 862818332 /nfs/dbraw/zinc/81/83/32/862818332.db2.gz PBDOEACVHNBOBG-UHFFFAOYSA-N 1 1 391.519 3.636 50 0 GHAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cc(Cl)ccc3F)cc2)CC1 ZINC000040089815 856655529 /nfs/dbraw/zinc/65/55/29/856655529.db2.gz BSGUKGQNWXLHPW-UHFFFAOYSA-N 1 1 375.875 3.869 50 0 GHAAMO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](Cc2cccn2-c2ccccn2)C1 ZINC000011938399 858197732 /nfs/dbraw/zinc/19/77/32/858197732.db2.gz PPHXAFKGNOALRF-SFHVURJKSA-N 1 1 389.455 3.696 50 0 GHAAMO COCC(=O)N(CC(C)C)C[C@@H]1C[N@@H+](Cc2ccco2)C[C@@H]1c1ccc(C)cc1 ZINC000105050705 859813597 /nfs/dbraw/zinc/81/35/97/859813597.db2.gz WJPACUIHXPVQKO-JTHBVZDNSA-N 1 1 398.547 3.935 50 0 GHAAMO CCOc1ccc2oc(=O)cc(CN3CC[NH+](Cc4ccc(F)cc4)CC3)c2c1 ZINC000020353119 860550981 /nfs/dbraw/zinc/55/09/81/860550981.db2.gz LCXHQANCRAFSJV-UHFFFAOYSA-N 1 1 396.462 3.649 50 0 GHAAMO CC(C)(C)Oc1cccc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)n1 ZINC000095454143 860588242 /nfs/dbraw/zinc/58/82/42/860588242.db2.gz BFGMLQMGFHFOKS-UHFFFAOYSA-N 1 1 388.556 3.855 50 0 GHAAMO COc1ccc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)c(OC)c1 ZINC000020889915 860664914 /nfs/dbraw/zinc/66/49/14/860664914.db2.gz OBNPSJLOXYPYTG-GOSISDBHSA-N 1 1 383.492 3.656 50 0 GHAAMO Cn1cccc1[C@@H](CNC(=O)c1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000021151583 860728070 /nfs/dbraw/zinc/72/80/70/860728070.db2.gz FMBSXUJWHUJQGH-JOCHJYFZSA-N 1 1 377.463 3.694 50 0 GHAAMO Cn1cccc1[C@@H](CNC(=O)c1ccc(F)cc1)[N@H+]1CCc2ccccc2C1 ZINC000021151583 860728071 /nfs/dbraw/zinc/72/80/71/860728071.db2.gz FMBSXUJWHUJQGH-JOCHJYFZSA-N 1 1 377.463 3.694 50 0 GHAAMO Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)cc1 ZINC000021794771 860942243 /nfs/dbraw/zinc/94/22/43/860942243.db2.gz BFDQRRRXDZFPPU-UHFFFAOYSA-N 1 1 397.504 3.704 50 0 GHAAMO COc1ccccc1C(=O)Nc1ccc(Nc2cc(N(C)C)nc(C)[nH+]2)cc1 ZINC000021794036 860942529 /nfs/dbraw/zinc/94/25/29/860942529.db2.gz QDEXZLBDMHNTOB-UHFFFAOYSA-N 1 1 377.448 3.856 50 0 GHAAMO COc1ccccc1C(=O)Nc1ccc(Nc2cc(N(C)C)[nH+]c(C)n2)cc1 ZINC000021794036 860942546 /nfs/dbraw/zinc/94/25/46/860942546.db2.gz QDEXZLBDMHNTOB-UHFFFAOYSA-N 1 1 377.448 3.856 50 0 GHAAMO CC(=O)c1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)s1 ZINC000012386935 861096017 /nfs/dbraw/zinc/09/60/17/861096017.db2.gz OJYBYATWZRQIRD-GOSISDBHSA-N 1 1 382.529 3.655 50 0 GHAAMO CCc1oc(C(=O)N[C@@H](C)CN2CCc3ccccc3C2)cc1C[NH+]1CCCC1 ZINC000823570778 863127988 /nfs/dbraw/zinc/12/79/88/863127988.db2.gz QJGBXBUAGPTWRZ-SFHVURJKSA-N 1 1 395.547 3.614 50 0 GHAAMO COCc1nc(-c2ccc(O[C@@H]3CC[N@@H+](Cc4cccc(OC)c4)C3)cc2)no1 ZINC000581780889 869963350 /nfs/dbraw/zinc/96/33/50/869963350.db2.gz KNWOKMNWVDAUCQ-HXUWFJFHSA-N 1 1 395.459 3.545 50 0 GHAAMO CCOc1ccccc1C[N@@H+]1CCOc2ccc(CCC(=O)N(C)C)cc2C1 ZINC000581800016 869998082 /nfs/dbraw/zinc/99/80/82/869998082.db2.gz KGDVNHFQSOCMCK-UHFFFAOYSA-N 1 1 382.504 3.501 50 0 GHAAMO CCOc1ccccc1C[N@H+]1CCOc2ccc(CCC(=O)N(C)C)cc2C1 ZINC000581800016 869998096 /nfs/dbraw/zinc/99/80/96/869998096.db2.gz KGDVNHFQSOCMCK-UHFFFAOYSA-N 1 1 382.504 3.501 50 0 GHAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cscc1C(F)(F)F ZINC000621289923 884033399 /nfs/dbraw/zinc/03/33/99/884033399.db2.gz VHUCLRJCIBRMOH-UHFFFAOYSA-N 1 1 384.423 3.529 50 0 GHAAMO COCCN(C)c1ccc(C[N@@H+](CC2CCOCC2)[C@@H](C)c2cccnc2)cn1 ZINC000585084656 897142279 /nfs/dbraw/zinc/14/22/79/897142279.db2.gz GIWJZHNLVHLRLQ-IBGZPJMESA-N 1 1 398.551 3.549 50 0 GHAAMO O=C(c1cccc(Oc2ccccn2)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000096383092 914449569 /nfs/dbraw/zinc/44/95/69/914449569.db2.gz PBUONCNVVMRJQK-UHFFFAOYSA-N 1 1 387.483 3.874 50 0 GHAAMO C[C@H](O)c1nc2ccc(NC(=O)c3ccc(C[NH+]4CCC(C)CC4)o3)cc2[nH]1 ZINC000952970122 904647218 /nfs/dbraw/zinc/64/72/18/904647218.db2.gz QPDMWXQWISJXLS-AWEZNQCLSA-N 1 1 382.464 3.693 50 0 GHAAMO Cc1c[nH+]ccc1N1CCCN(Cc2cnc3c(-c4ccccc4)cnn3c2)CC1 ZINC000952970916 904648961 /nfs/dbraw/zinc/64/89/61/904648961.db2.gz UFNSBDGJNCAYTM-UHFFFAOYSA-N 1 1 398.514 3.812 50 0 GHAAMO CCCn1c(C)nc2cc(NC(=O)[C@H]3CCC[N@H+](C4CCOCC4)C3)ccc21 ZINC000952981182 904666871 /nfs/dbraw/zinc/66/68/71/904666871.db2.gz CVULSFFFNGWPNP-KRWDZBQOSA-N 1 1 384.524 3.584 50 0 GHAAMO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000105261258 904912056 /nfs/dbraw/zinc/91/20/56/904912056.db2.gz CWXODGUJFIUMJH-AWEZNQCLSA-N 1 1 388.512 3.808 50 0 GHAAMO CCOc1c(Cl)cc(C[N@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)cc1OC ZINC000121925174 911601658 /nfs/dbraw/zinc/60/16/58/911601658.db2.gz LDUQZWKGVZMJBR-INIZCTEOSA-N 1 1 392.931 3.868 50 0 GHAAMO O=C(/C=C\c1cnn(-c2ccccc2)c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000098001920 916069435 /nfs/dbraw/zinc/06/94/35/916069435.db2.gz UALADXLKBGLXLA-SEYXRHQNSA-N 1 1 386.499 3.620 50 0 GHAAMO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000014999284 919354113 /nfs/dbraw/zinc/35/41/13/919354113.db2.gz LLYVJVHHALASQR-SFHVURJKSA-N 1 1 379.533 3.882 50 0 GHAAMO CN(C)c1nc(Cl)c(CN[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)s1 ZINC000019772738 919597327 /nfs/dbraw/zinc/59/73/27/919597327.db2.gz AGLPSLHBBGGSSS-INIZCTEOSA-N 1 1 390.984 3.584 50 0 GHAAMO CN(C)c1nc(Cl)c(CN[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)s1 ZINC000019772738 919597341 /nfs/dbraw/zinc/59/73/41/919597341.db2.gz AGLPSLHBBGGSSS-INIZCTEOSA-N 1 1 390.984 3.584 50 0 GHAAMO CC[NH+]1CCN(C(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000019782317 919597865 /nfs/dbraw/zinc/59/78/65/919597865.db2.gz UFNNJEODSYZGMD-UHFFFAOYSA-N 1 1 382.548 3.697 50 0 GHAAMO Cc1c(CN[C@H]2CCC[N@@H+](CC3CCCCC3)C2)c(=O)n(-c2ccccc2)n1C ZINC000020996767 919677740 /nfs/dbraw/zinc/67/77/40/919677740.db2.gz CGQWUHKCYTZNKC-NRFANRHFSA-N 1 1 396.579 3.619 50 0 GHAAMO Cc1c(C[NH2+][C@H]2CCCN(CC3CCCCC3)C2)c(=O)n(-c2ccccc2)n1C ZINC000020996767 919677750 /nfs/dbraw/zinc/67/77/50/919677750.db2.gz CGQWUHKCYTZNKC-NRFANRHFSA-N 1 1 396.579 3.619 50 0 GHAAMO Cc1cc(-c2ccc(O)c(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c2ccccc2n1 ZINC000067840559 926360466 /nfs/dbraw/zinc/36/04/66/926360466.db2.gz KOMLQFOWMYPVKY-KRWDZBQOSA-N 1 1 375.472 3.613 50 0 GHAAMO O=C(Nc1cccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)c1)C1CCCCC1 ZINC000655700349 930486881 /nfs/dbraw/zinc/48/68/81/930486881.db2.gz KSHAJPNFIFEFTJ-QFIPXVFZSA-N 1 1 385.552 3.548 50 0 GHAAMO COc1c(F)cccc1C[N@H+]1CC[C@]2(OC)CC[C@H](Oc3ccccn3)C[C@H]12 ZINC000426412272 231216951 /nfs/dbraw/zinc/21/69/51/231216951.db2.gz LDBCQKQPMDOQPN-LQBOVUBWSA-N 1 1 386.467 3.820 50 0 GHAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(C)c1 ZINC000009071616 212162799 /nfs/dbraw/zinc/16/27/99/212162799.db2.gz OWDZDQDTGKBWMC-UHFFFAOYSA-N 1 1 383.467 3.732 50 0 GHAAMO CCn1nc(C)c(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c1C ZINC000095993184 212154217 /nfs/dbraw/zinc/15/42/17/212154217.db2.gz NMVCQTROODAAMJ-SFHVURJKSA-N 1 1 383.540 3.643 50 0 GHAAMO C[C@H]1C[NH+](CCOc2ccc(-c3n[nH]cc3-c3ccccc3)c(O)c2)C[C@H](C)O1 ZINC000020590819 212152179 /nfs/dbraw/zinc/15/21/79/212152179.db2.gz CTPRCYPDKCSGRM-IRXDYDNUSA-N 1 1 393.487 3.937 50 0 GHAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1ccc(Nc2ncccn2)cc1 ZINC000253402470 212136418 /nfs/dbraw/zinc/13/64/18/212136418.db2.gz GKKUUJSWWHYQOS-AZUAARDMSA-N 1 1 379.508 3.557 50 0 biogenic GHAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cccc(Nc2ncccn2)c1 ZINC000253407191 212136030 /nfs/dbraw/zinc/13/60/30/212136030.db2.gz JQDKESMDQLKYII-AZUAARDMSA-N 1 1 379.508 3.557 50 0 biogenic GHAAMO Cn1cc(C[C@H]2CC[N@H+]([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C2)cn1 ZINC000328594285 212082662 /nfs/dbraw/zinc/08/26/62/212082662.db2.gz PSORVTMGAFRIOZ-VGOFRKELSA-N 1 1 392.478 3.804 50 0 GHAAMO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000007990545 221022144 /nfs/dbraw/zinc/02/21/44/221022144.db2.gz OCQBBCFPHSSHDY-INIZCTEOSA-N 1 1 387.896 3.758 50 0 GHAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000007990545 221022147 /nfs/dbraw/zinc/02/21/47/221022147.db2.gz OCQBBCFPHSSHDY-INIZCTEOSA-N 1 1 387.896 3.758 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000008225942 221031896 /nfs/dbraw/zinc/03/18/96/221031896.db2.gz VFHCATDTLIIDSW-LBPRGKRZSA-N 1 1 378.831 3.709 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000008225942 221031901 /nfs/dbraw/zinc/03/19/01/221031901.db2.gz VFHCATDTLIIDSW-LBPRGKRZSA-N 1 1 378.831 3.709 50 0 GHAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)NC(=O)Nc2ccccc2)cc1 ZINC000008325427 221036655 /nfs/dbraw/zinc/03/66/55/221036655.db2.gz VRDIBDOPFVAGIC-FQEVSTJZSA-N 1 1 381.476 3.961 50 0 GHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1F ZINC000008884571 221063307 /nfs/dbraw/zinc/06/33/07/221063307.db2.gz YWUICRSNHAFEAB-ZDUSSCGKSA-N 1 1 387.846 3.691 50 0 GHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1F ZINC000008884571 221063309 /nfs/dbraw/zinc/06/33/09/221063309.db2.gz YWUICRSNHAFEAB-ZDUSSCGKSA-N 1 1 387.846 3.691 50 0 GHAAMO C[N@@H+](CC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCCc2ccccc21 ZINC000009646026 221088066 /nfs/dbraw/zinc/08/80/66/221088066.db2.gz NVSFRBCYJBZLAC-NRFANRHFSA-N 1 1 377.488 3.761 50 0 GHAAMO COc1ccc(-c2n[nH]cc2C[N@@H+](CC2CCC2)C[C@@H]2CCCO2)c(OC)c1 ZINC000011663453 221120090 /nfs/dbraw/zinc/12/00/90/221120090.db2.gz GBPIXSFGIWDFTB-IBGZPJMESA-N 1 1 385.508 3.875 50 0 GHAAMO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4n[nH]c5c4CCCC5)C3)C2)c1 ZINC000011664841 221120653 /nfs/dbraw/zinc/12/06/53/221120653.db2.gz FQXYFSUBYSVQPH-XMMPIXPASA-N 1 1 392.547 3.725 50 0 GHAAMO CC(C)c1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)[nH]n1 ZINC000011934727 221138584 /nfs/dbraw/zinc/13/85/84/221138584.db2.gz LKMPTIHTBMZUOB-JOCHJYFZSA-N 1 1 384.499 3.801 50 0 GHAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(C(=O)C3=CCCCC3)C2)cc1OC ZINC000011957490 221140677 /nfs/dbraw/zinc/14/06/77/221140677.db2.gz YFFYJFQPJKWKQX-FQEVSTJZSA-N 1 1 386.536 3.670 50 0 GHAAMO CCOc1cc(C[N@H+]2CCC[C@@H](CNC(=O)c3cccs3)C2)ccc1OC ZINC000012023166 221143567 /nfs/dbraw/zinc/14/35/67/221143567.db2.gz ACAVHHYUKFDERQ-KRWDZBQOSA-N 1 1 388.533 3.797 50 0 GHAAMO CSc1ncccc1C(=O)N(C)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012028169 221143977 /nfs/dbraw/zinc/14/39/77/221143977.db2.gz XWTHJTPFYKJWNN-IBGZPJMESA-N 1 1 383.561 3.973 50 0 GHAAMO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3c(F)cccc3F)CC2)O1)c1ccco1 ZINC000012034653 221145120 /nfs/dbraw/zinc/14/51/20/221145120.db2.gz TYKFVFIEJNCQSK-HNNXBMFYSA-N 1 1 390.430 3.501 50 0 GHAAMO COc1ccc(OC)c(C[N@@H+]2CCC[C@H](C(=O)c3ccc(OC)cc3OC)C2)c1 ZINC000012074029 221146922 /nfs/dbraw/zinc/14/69/22/221146922.db2.gz DJZFXLIBNGLPRC-INIZCTEOSA-N 1 1 399.487 3.816 50 0 GHAAMO COc1ccc(OC)c(C[N@H+]2CCC[C@H](C(=O)c3ccc(OC)cc3OC)C2)c1 ZINC000012074029 221146924 /nfs/dbraw/zinc/14/69/24/221146924.db2.gz DJZFXLIBNGLPRC-INIZCTEOSA-N 1 1 399.487 3.816 50 0 GHAAMO CCOC(=O)C1(Cc2cccc(F)c2)CC[NH+](Cc2[nH]c(CC)nc2C)CC1 ZINC000012300053 221177259 /nfs/dbraw/zinc/17/72/59/221177259.db2.gz MOBXKUINRUYAJG-UHFFFAOYSA-N 1 1 387.499 3.808 50 0 GHAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](Nc3ccc(OC)c(OC)c3)C2)cc1 ZINC000012306143 221179211 /nfs/dbraw/zinc/17/92/11/221179211.db2.gz RDRDLWMZHCGNEO-IBGZPJMESA-N 1 1 384.476 3.567 50 0 GHAAMO O=C(c1cn2cccnc2n1)N1CC[C@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000012316523 221180934 /nfs/dbraw/zinc/18/09/34/221180934.db2.gz WJGRFKBVQGPNCJ-HSZRJFAPSA-N 1 1 395.551 3.628 50 0 GHAAMO COc1cccc(C[C@]2(CO)CCC[N@@H+](Cc3cccc(OC)c3OC)C2)c1 ZINC000012457957 221198063 /nfs/dbraw/zinc/19/80/63/221198063.db2.gz AWRBGZBANITZLA-HSZRJFAPSA-N 1 1 385.504 3.530 50 0 GHAAMO Cn1ccnc1[C@H]([NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000012520382 221201139 /nfs/dbraw/zinc/20/11/39/221201139.db2.gz FYVAFCCWQJBDQY-MDNUFGMLSA-N 1 1 391.515 3.554 50 0 GHAAMO COc1ccc(F)c(C[N@@H+]2CCC[C@H](C(=O)c3ccc(OC)c(OC)c3)C2)c1 ZINC000012385424 221188237 /nfs/dbraw/zinc/18/82/37/221188237.db2.gz SQFAZIFENZSWIP-INIZCTEOSA-N 1 1 387.451 3.946 50 0 GHAAMO COc1ccc(F)c(C[N@H+]2CCC[C@H](C(=O)c3ccc(OC)c(OC)c3)C2)c1 ZINC000012385424 221188240 /nfs/dbraw/zinc/18/82/40/221188240.db2.gz SQFAZIFENZSWIP-INIZCTEOSA-N 1 1 387.451 3.946 50 0 GHAAMO COCCN(C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)C1CCCCC1 ZINC000012597472 221212779 /nfs/dbraw/zinc/21/27/79/221212779.db2.gz KXIIBEZTWDZUSJ-FQEVSTJZSA-N 1 1 398.591 3.921 50 0 GHAAMO COc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2F)C3)c1O ZINC000012716402 221220519 /nfs/dbraw/zinc/22/05/19/221220519.db2.gz ROMJPACZPBSQJP-QHCPKHFHSA-N 1 1 398.478 3.668 50 0 GHAAMO Cc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012751350 221224495 /nfs/dbraw/zinc/22/44/95/221224495.db2.gz HYXUIXUQEOTSAG-RTBURBONSA-N 1 1 379.504 3.523 50 0 GHAAMO Cc1ccc2c(C[N@@H+](C)Cc3ccccc3N3CCOCC3)cc(=O)oc2c1 ZINC000012751036 221224602 /nfs/dbraw/zinc/22/46/02/221224602.db2.gz RZTAVYCKVNFOLL-UHFFFAOYSA-N 1 1 378.472 3.570 50 0 GHAAMO COc1ccc(OCc2noc(C[N@H+]3CCC[C@H]3Cc3ccccc3)n2)cc1 ZINC000012755814 221225827 /nfs/dbraw/zinc/22/58/27/221225827.db2.gz CTOIQTAYNIEBDM-SFHVURJKSA-N 1 1 379.460 3.864 50 0 GHAAMO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012776938 221230466 /nfs/dbraw/zinc/23/04/66/221230466.db2.gz ZNYBYAIFQAOGNH-INIZCTEOSA-N 1 1 399.922 3.695 50 0 GHAAMO CN(C(=O)Cn1ncc2ccccc21)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012835329 221237597 /nfs/dbraw/zinc/23/75/97/221237597.db2.gz IRXKYHVDQILBBC-JOCHJYFZSA-N 1 1 390.531 3.592 50 0 GHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(F)cc1Cl ZINC000012873938 221240512 /nfs/dbraw/zinc/24/05/12/221240512.db2.gz NCKYBNHCZMPZGZ-CYBMUJFWSA-N 1 1 387.846 3.691 50 0 GHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(F)cc1Cl ZINC000012873938 221240513 /nfs/dbraw/zinc/24/05/13/221240513.db2.gz NCKYBNHCZMPZGZ-CYBMUJFWSA-N 1 1 387.846 3.691 50 0 GHAAMO C[C@@]12CN(C(=S)Nc3ccccc3)C[C@@](C)(C[N@@H+](Cc3ccccc3)C1)C2=O ZINC000013739143 221287384 /nfs/dbraw/zinc/28/73/84/221287384.db2.gz OGIYZXGYFAIORO-ZRZAMGCNSA-N 1 1 393.556 3.797 50 0 GHAAMO CCCCN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000014972979 221321346 /nfs/dbraw/zinc/32/13/46/221321346.db2.gz HBLRWHLMJMAOTO-JOCHJYFZSA-N 1 1 397.607 3.589 50 0 GHAAMO CCCCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000014972979 221321349 /nfs/dbraw/zinc/32/13/49/221321349.db2.gz HBLRWHLMJMAOTO-JOCHJYFZSA-N 1 1 397.607 3.589 50 0 GHAAMO CCCCN(C)C(=O)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000014972979 221321353 /nfs/dbraw/zinc/32/13/53/221321353.db2.gz HBLRWHLMJMAOTO-JOCHJYFZSA-N 1 1 397.607 3.589 50 0 GHAAMO O=C(c1ccco1)N1CCOc2ccc(C[N@H+]3CCc4ccccc4C3)cc2C1 ZINC000014976669 221323355 /nfs/dbraw/zinc/32/33/55/221323355.db2.gz MGCAQJDGGFTKIK-UHFFFAOYSA-N 1 1 388.467 3.873 50 0 GHAAMO CCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](CC(C)C)C1 ZINC000014743039 221316326 /nfs/dbraw/zinc/31/63/26/221316326.db2.gz CZAKZGAUEUZFLQ-LEWJYISDSA-N 1 1 399.579 3.624 50 0 GHAAMO CCCCNC(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000015078804 221333094 /nfs/dbraw/zinc/33/30/94/221333094.db2.gz LCGGCXOUDLSLDR-UHFFFAOYSA-N 1 1 385.596 3.712 50 0 GHAAMO Cc1cnc(SCc2cccnc2)nc1[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000014994462 221325191 /nfs/dbraw/zinc/32/51/91/221325191.db2.gz UONACOWRKXPITD-GOSISDBHSA-N 1 1 384.549 3.831 50 0 GHAAMO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000015065168 221327589 /nfs/dbraw/zinc/32/75/89/221327589.db2.gz TWLPIQUQXXPXFB-NRFANRHFSA-N 1 1 390.487 3.812 50 0 GHAAMO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+]2CCC[C@H](O)C2)cc1 ZINC000015063330 221327762 /nfs/dbraw/zinc/32/77/62/221327762.db2.gz KPWKLZKWFKTYMG-SFHVURJKSA-N 1 1 381.451 3.644 50 0 GHAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3cccc4c3OCO4)C2)cc1 ZINC000015075966 221331077 /nfs/dbraw/zinc/33/10/77/221331077.db2.gz HQNVBJUBVGEFAH-FQEVSTJZSA-N 1 1 396.531 3.810 50 0 GHAAMO Cc1cccc(C[N@@H+]2CC=C(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000064818029 136157818 /nfs/dbraw/zinc/15/78/18/136157818.db2.gz MCPYWYIUOVOPLY-UHFFFAOYSA-N 1 1 391.515 3.602 50 0 GHAAMO CCN1CCN(c2cc(C[NH2+][C@H]3CCCOc4ccc(C)cc43)ccn2)CC1 ZINC000095421342 136179143 /nfs/dbraw/zinc/17/91/43/136179143.db2.gz PMRAXPSRCYCGSL-NRFANRHFSA-N 1 1 380.536 3.535 50 0 GHAAMO O[C@H](COc1cccc2ccccc21)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000017201204 136202234 /nfs/dbraw/zinc/20/22/34/136202234.db2.gz LJOBLRRPOCHELF-IBGZPJMESA-N 1 1 380.463 3.541 50 0 GHAAMO CCOC(=O)c1cnc2c(-c3ccc(OC)cc3)c(CC)nn2c1/C=C/[NH+](C)C ZINC000049769483 222003251 /nfs/dbraw/zinc/00/32/51/222003251.db2.gz BLODXTDBPYAPSI-OUKQBFOZSA-N 1 1 394.475 3.676 50 0 GHAAMO OCCOc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)cc2)C3)cc1 ZINC000055107404 222015208 /nfs/dbraw/zinc/01/52/08/222015208.db2.gz GGSRQJMMHPNPJY-XMMPIXPASA-N 1 1 398.522 3.685 50 0 GHAAMO OCCOc1ccc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)cc1 ZINC000055107404 222015213 /nfs/dbraw/zinc/01/52/13/222015213.db2.gz GGSRQJMMHPNPJY-XMMPIXPASA-N 1 1 398.522 3.685 50 0 GHAAMO OCCOc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)cc1 ZINC000055107404 222015217 /nfs/dbraw/zinc/01/52/17/222015217.db2.gz GGSRQJMMHPNPJY-XMMPIXPASA-N 1 1 398.522 3.685 50 0 GHAAMO CC[C@H](Nc1cccc(OC)c1)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000055369988 222021076 /nfs/dbraw/zinc/02/10/76/222021076.db2.gz BWPZPJLHMBTBLG-FQEVSTJZSA-N 1 1 378.476 3.696 50 0 GHAAMO CN1CCC([N@H+](C)C[C@@H](NC(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000058249860 222047478 /nfs/dbraw/zinc/04/74/78/222047478.db2.gz RFRFDLPRPDHQJN-OAQYLSRUSA-N 1 1 384.499 3.715 50 0 GHAAMO CN1CCC([N@@H+](C)C[C@@H](NC(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000058249860 222047483 /nfs/dbraw/zinc/04/74/83/222047483.db2.gz RFRFDLPRPDHQJN-OAQYLSRUSA-N 1 1 384.499 3.715 50 0 GHAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000064956806 222089837 /nfs/dbraw/zinc/08/98/37/222089837.db2.gz XWUVBDRTZDVLKS-YOEHRIQHSA-N 1 1 398.450 3.819 50 0 GHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCc1cc2cc(OC)ccc2[nH]c1=O ZINC000065245540 222114850 /nfs/dbraw/zinc/11/48/50/222114850.db2.gz MBVXSDOPLHPEFM-IBGZPJMESA-N 1 1 399.535 3.652 50 0 GHAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2CCC[C@@H](C)CC2)nc1 ZINC000067650254 222152663 /nfs/dbraw/zinc/15/26/63/222152663.db2.gz RBZYUNCKPFCUEE-GOSISDBHSA-N 1 1 383.540 3.848 50 0 GHAAMO O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC000071753532 222191223 /nfs/dbraw/zinc/19/12/23/222191223.db2.gz XBPATXOTMVANGX-IBGZPJMESA-N 1 1 376.460 3.665 50 0 GHAAMO COc1ccc2cc(C[N@H+]3CCC(=O)NC[C@H]3C)c(-c3cccs3)nc2c1 ZINC000072448227 222262460 /nfs/dbraw/zinc/26/24/60/222262460.db2.gz ZSCARJLELKZBBL-CQSZACIVSA-N 1 1 381.501 3.682 50 0 GHAAMO COc1ccc(OC)c2nc(-c3cccc(Cl)c3)c(C[N@@H+](C)CCO)cc12 ZINC000072470717 222262989 /nfs/dbraw/zinc/26/29/89/222262989.db2.gz YHLYZVYDYGJJCG-UHFFFAOYSA-N 1 1 386.879 3.997 50 0 GHAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(C2CC2)nn1-c1ccccc1 ZINC000085874865 222325789 /nfs/dbraw/zinc/32/57/89/222325789.db2.gz GENUXBKUUBWJKY-GHTZIAJQSA-N 1 1 378.520 3.744 50 0 biogenic GHAAMO Cc1ocnc1C(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000095502334 222335911 /nfs/dbraw/zinc/33/59/11/222335911.db2.gz NFJSPEKRNYKDEV-KRWDZBQOSA-N 1 1 375.900 3.663 50 0 GHAAMO CCc1[nH+]ccn1CCC(=O)N1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000077470859 222283394 /nfs/dbraw/zinc/28/33/94/222283394.db2.gz WASBMGCYBHNOGF-UHFFFAOYSA-N 1 1 377.492 3.632 50 0 GHAAMO Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079191071 222305617 /nfs/dbraw/zinc/30/56/17/222305617.db2.gz DTIIDUXSMLUFKY-QFBILLFUSA-N 1 1 386.927 3.735 50 0 biogenic GHAAMO COCc1cc(=O)[nH]c(-c2ccc(C[N@@H+](C)C/C=C/c3ccccc3)cc2)n1 ZINC000082039432 222306576 /nfs/dbraw/zinc/30/65/76/222306576.db2.gz RNAKSGGYONNVHK-RMKNXTFCSA-N 1 1 375.472 3.729 50 0 GHAAMO CC(C)C[N@H+]1CCCn2nc(CNC(=O)Nc3ccc(Cl)cc3)cc2C1 ZINC000082134189 222310155 /nfs/dbraw/zinc/31/01/55/222310155.db2.gz OXOGVHGDXACTQD-UHFFFAOYSA-N 1 1 375.904 3.720 50 0 GHAAMO Cc1c(Cl)cccc1NC(=O)NCc1cc2n(n1)CC[N@H+](CC(C)C)C2 ZINC000082149411 222310294 /nfs/dbraw/zinc/31/02/94/222310294.db2.gz LZTVEYQLAPEMEJ-UHFFFAOYSA-N 1 1 375.904 3.638 50 0 GHAAMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc(C(=O)Nc4cccc(F)c4)c3)[C@@H]2C1 ZINC000095995532 222369778 /nfs/dbraw/zinc/36/97/78/222369778.db2.gz AVRMOIRYWDGVQC-FOIQADDNSA-N 1 1 396.466 3.636 50 0 GHAAMO Cc1nc(CN2CCC[N@H+](CCc3cccc(Br)c3)CC2)cs1 ZINC000096003727 222369829 /nfs/dbraw/zinc/36/98/29/222369829.db2.gz RZGZGTHQBOQPSU-UHFFFAOYSA-N 1 1 394.382 3.964 50 0 GHAAMO Cc1nc(CN2CCC[N@@H+](CCc3cccc(Br)c3)CC2)cs1 ZINC000096003727 222369831 /nfs/dbraw/zinc/36/98/31/222369831.db2.gz RZGZGTHQBOQPSU-UHFFFAOYSA-N 1 1 394.382 3.964 50 0 GHAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(NC(=O)c2ccccc2)c1 ZINC000096116435 222382992 /nfs/dbraw/zinc/38/29/92/222382992.db2.gz CHKGQTGEWNRDSP-RBBKRZOGSA-N 1 1 391.515 3.933 50 0 biogenic GHAAMO CCCc1ncncc1C(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C)C2 ZINC000096133593 222386587 /nfs/dbraw/zinc/38/65/87/222386587.db2.gz FWNXKFCVWBMWLG-FQEVSTJZSA-N 1 1 392.547 3.771 50 0 GHAAMO CCOC(=O)c1coc(N2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C)C3)n1 ZINC000096130427 570210684 /nfs/dbraw/zinc/21/06/84/570210684.db2.gz NKNYEYQGQYDSMD-SFHVURJKSA-N 1 1 383.492 3.557 50 0 GHAAMO COc1ccc2ccccc2c1C[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000019774058 570218048 /nfs/dbraw/zinc/21/80/48/570218048.db2.gz WMJMXJLZOASNAX-UHFFFAOYSA-N 1 1 378.447 3.946 50 0 GHAAMO CCOC(=O)C1=C(C[NH+](C(C)C)C(C)C)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000019857569 570226061 /nfs/dbraw/zinc/22/60/61/570226061.db2.gz UGVSPEDVSKUWPW-FQEVSTJZSA-N 1 1 387.524 3.593 50 0 GHAAMO CCOc1ccccc1C[N@H+]1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020109709 570240238 /nfs/dbraw/zinc/24/02/38/570240238.db2.gz GHQOTSIARJISFK-HSZRJFAPSA-N 1 1 379.548 3.872 50 0 GHAAMO CCOc1ccccc1CN1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000020109709 570240241 /nfs/dbraw/zinc/24/02/41/570240241.db2.gz GHQOTSIARJISFK-HSZRJFAPSA-N 1 1 379.548 3.872 50 0 GHAAMO C[C@@H]1C[NH+](CCOCCOc2ccc(Br)cc2Cl)C[C@@H](C)O1 ZINC000020168387 570254556 /nfs/dbraw/zinc/25/45/56/570254556.db2.gz VVPCMUALHISROJ-CHWSQXEVSA-N 1 1 392.721 3.607 50 0 GHAAMO OCC1(CCOc2ccccc2)CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000020600385 570269940 /nfs/dbraw/zinc/26/99/40/570269940.db2.gz LBKACFOOESLBNM-UHFFFAOYSA-N 1 1 393.487 3.780 50 0 GHAAMO CCOC(=O)c1c(CSCCC[NH+]2CCOCC2)oc2ccc(OC)cc21 ZINC000020814231 570281745 /nfs/dbraw/zinc/28/17/45/570281745.db2.gz FWRIBYUDEUYXMH-UHFFFAOYSA-N 1 1 393.505 3.574 50 0 GHAAMO Cc1cc(F)ccc1N1CCC(N2CC[N@H+](CCC(C)C)[C@@H](CCO)C2)CC1 ZINC000020996021 570286969 /nfs/dbraw/zinc/28/69/69/570286969.db2.gz SMFDUNBACDAAQN-QFIPXVFZSA-N 1 1 391.575 3.518 50 0 GHAAMO Cc1cc(F)ccc1N1CCC([N@@H+]2CCN(CCC(C)C)[C@@H](CCO)C2)CC1 ZINC000020996021 570286971 /nfs/dbraw/zinc/28/69/71/570286971.db2.gz SMFDUNBACDAAQN-QFIPXVFZSA-N 1 1 391.575 3.518 50 0 GHAAMO Cc1cc(F)ccc1N1CCC([N@H+]2CCN(CCC(C)C)[C@@H](CCO)C2)CC1 ZINC000020996021 570286972 /nfs/dbraw/zinc/28/69/72/570286972.db2.gz SMFDUNBACDAAQN-QFIPXVFZSA-N 1 1 391.575 3.518 50 0 GHAAMO Cc1c2ccccc2n(C)c1C(=O)NC[C@H](c1cccnc1)[NH+]1CCCCC1 ZINC000215659335 570290353 /nfs/dbraw/zinc/29/03/53/570290353.db2.gz POPGVESBUGLPQV-OAQYLSRUSA-N 1 1 376.504 3.839 50 0 GHAAMO COc1ccc(F)c(F)c1C[NH+]1CCC(c2nnc3n2CCCCC3)CC1 ZINC000216111969 570295967 /nfs/dbraw/zinc/29/59/67/570295967.db2.gz PAHNRHMUFOLBKS-UHFFFAOYSA-N 1 1 376.451 3.671 50 0 GHAAMO c1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2OCCN2CCOCC2)nc1 ZINC000216156029 570296767 /nfs/dbraw/zinc/29/67/67/570296767.db2.gz LWCUUSLITLHVNS-JOCHJYFZSA-N 1 1 381.520 3.520 50 0 GHAAMO C[C@@H]1CCCC[N@H+]1CCN(C)Cc1cccc(-c2nc(C(F)F)cc(=O)[nH]2)c1 ZINC000023581849 570326876 /nfs/dbraw/zinc/32/68/76/570326876.db2.gz VSDOPKKOCNLQQQ-OAHLLOKOSA-N 1 1 390.478 3.681 50 0 GHAAMO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc3nonc32)C1 ZINC000023619099 570328517 /nfs/dbraw/zinc/32/85/17/570328517.db2.gz RVGXFRMQIWWMGT-CQSZACIVSA-N 1 1 385.851 3.980 50 0 GHAAMO Cc1ccc(SCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c(C)c1 ZINC000022885991 570332875 /nfs/dbraw/zinc/33/28/75/570332875.db2.gz FWXRDYSNIQTNJL-UHFFFAOYSA-N 1 1 376.566 3.547 50 0 GHAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)C1CC1)[N@H+](Cc1ccccc1)CC2 ZINC000034855766 570341530 /nfs/dbraw/zinc/34/15/30/570341530.db2.gz KRMUPRMIGCKFPK-QMHKHESXSA-N 1 1 394.515 3.718 50 0 GHAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)C1CC1)[N@@H+](Cc1ccccc1)CC2 ZINC000034855766 570341531 /nfs/dbraw/zinc/34/15/31/570341531.db2.gz KRMUPRMIGCKFPK-QMHKHESXSA-N 1 1 394.515 3.718 50 0 GHAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(C)=O)[N@H+](Cc1cccc(C)c1)CC2 ZINC000034855509 570341536 /nfs/dbraw/zinc/34/15/36/570341536.db2.gz VJPLELILNNJBKJ-WAIKUNEKSA-N 1 1 382.504 3.636 50 0 GHAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(C)=O)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000034855509 570341537 /nfs/dbraw/zinc/34/15/37/570341537.db2.gz VJPLELILNNJBKJ-WAIKUNEKSA-N 1 1 382.504 3.636 50 0 GHAAMO CC[NH+]1CCN(c2ccc(NC(=O)COc3cccc(C)c3)cc2Cl)CC1 ZINC000006241886 570347971 /nfs/dbraw/zinc/34/79/71/570347971.db2.gz BFQKSKPPCGINBV-UHFFFAOYSA-N 1 1 387.911 3.808 50 0 GHAAMO CCCc1cc(=O)[nH]c(-c2ccc(C[N@H+]3CC[C@@H](n4nc(C)cc4C)C3)cc2)n1 ZINC000023231956 570351021 /nfs/dbraw/zinc/35/10/21/570351021.db2.gz FBGDOMRPWQHAHN-OAQYLSRUSA-N 1 1 391.519 3.650 50 0 GHAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1cccnc1 ZINC000023379637 570359105 /nfs/dbraw/zinc/35/91/05/570359105.db2.gz HEIOFGWXMLKXCA-HXUWFJFHSA-N 1 1 381.520 3.507 50 0 GHAAMO CN(C)[C@H](C(=O)NCCCc1nc2ccc(Cl)cc2[nH]1)c1ccc(F)cc1 ZINC000219987140 570379745 /nfs/dbraw/zinc/37/97/45/570379745.db2.gz PJGQFOSPVJFWDF-IBGZPJMESA-N 1 1 388.874 3.707 50 0 GHAAMO C[NH+](C)[C@H](C(=O)NCCCc1nc2cc(Cl)ccc2[nH]1)c1ccc(F)cc1 ZINC000219987140 570379746 /nfs/dbraw/zinc/37/97/46/570379746.db2.gz PJGQFOSPVJFWDF-IBGZPJMESA-N 1 1 388.874 3.707 50 0 GHAAMO CCC[NH+]1CCN(C(=O)c2c(C)onc2-c2ccc(Br)cc2)CC1 ZINC000035536612 570390870 /nfs/dbraw/zinc/39/08/70/570390870.db2.gz OPWWGBLADLMNNG-UHFFFAOYSA-N 1 1 392.297 3.580 50 0 GHAAMO COc1ccccc1N1CCN(C2CC[NH+](Cc3cccc(F)c3)CC2)CC1 ZINC000004703452 570395466 /nfs/dbraw/zinc/39/54/66/570395466.db2.gz AQNCWWGKOWNJJP-UHFFFAOYSA-N 1 1 383.511 3.621 50 0 GHAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2cc(Br)ccc2[nH]1 ZINC000024843156 570395907 /nfs/dbraw/zinc/39/59/07/570395907.db2.gz YLSZCZUBFXXQNP-QGZVFWFLSA-N 1 1 398.304 3.935 50 0 GHAAMO CC[NH+]1CCN(C(=O)C[C@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)CC1 ZINC000035579537 570402132 /nfs/dbraw/zinc/40/21/32/570402132.db2.gz CYGXXZYBUDDHSF-NRFANRHFSA-N 1 1 391.515 3.863 50 0 GHAAMO Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@H](C)c2ccccc2Cl)c(C)c1 ZINC000025058656 570404834 /nfs/dbraw/zinc/40/48/34/570404834.db2.gz HWORHVSDMRWJOS-MRXNPFEDSA-N 1 1 387.911 3.671 50 0 GHAAMO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000248064688 570437374 /nfs/dbraw/zinc/43/73/74/570437374.db2.gz ZOGQRYBPPPOCRC-UGKGYDQZSA-N 1 1 380.488 3.814 50 0 GHAAMO CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000248064688 570437375 /nfs/dbraw/zinc/43/73/75/570437375.db2.gz ZOGQRYBPPPOCRC-UGKGYDQZSA-N 1 1 380.488 3.814 50 0 GHAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(SCCN2CCOC2=O)n1 ZINC000028189523 570451903 /nfs/dbraw/zinc/45/19/03/570451903.db2.gz FKJJTFIXEWCILP-UHFFFAOYSA-N 1 1 394.566 3.694 50 0 GHAAMO CCOCCO[C@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000157654820 570464048 /nfs/dbraw/zinc/46/40/48/570464048.db2.gz NDAQLIWWBSMSPJ-SFTDATJTSA-N 1 1 386.467 3.633 50 0 GHAAMO CCOCCO[C@H]1CC[N@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000157654820 570464056 /nfs/dbraw/zinc/46/40/56/570464056.db2.gz NDAQLIWWBSMSPJ-SFTDATJTSA-N 1 1 386.467 3.633 50 0 GHAAMO C[N@@H+]1CCN(C(=O)c2cccc(NC(=O)C(C)(C)C)c2)[C@@H](c2ccccc2)C1 ZINC000030030735 570485874 /nfs/dbraw/zinc/48/58/74/570485874.db2.gz XOBAMEJDIFIRIO-HXUWFJFHSA-N 1 1 379.504 3.800 50 0 GHAAMO C[N@H+]1CCN(C(=O)c2cccc(NC(=O)C(C)(C)C)c2)[C@@H](c2ccccc2)C1 ZINC000030030735 570485875 /nfs/dbraw/zinc/48/58/75/570485875.db2.gz XOBAMEJDIFIRIO-HXUWFJFHSA-N 1 1 379.504 3.800 50 0 GHAAMO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955222 570502217 /nfs/dbraw/zinc/50/22/17/570502217.db2.gz IGPNNAZROVFDTL-UHFFFAOYSA-N 1 1 380.423 3.726 50 0 GHAAMO Cc1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000030955107 570502345 /nfs/dbraw/zinc/50/23/45/570502345.db2.gz WJXPSCYVKNEUPN-UHFFFAOYSA-N 1 1 376.460 3.896 50 0 GHAAMO C[C@H]1C[C@@H](OC[C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)CC(C)(C)C1 ZINC000033293435 570523691 /nfs/dbraw/zinc/52/36/91/570523691.db2.gz GFQKJOYOOVSYKW-IPMKNSEASA-N 1 1 378.532 3.540 50 0 GHAAMO COc1ccccc1C[N@@H+](Cc1ccco1)C[C@H](O)COCc1ccccc1 ZINC000036102684 570539581 /nfs/dbraw/zinc/53/95/81/570539581.db2.gz ARFUBIIDUYKATJ-NRFANRHFSA-N 1 1 381.472 3.868 50 0 GHAAMO COc1ccccc1C[N@H+](Cc1ccco1)C[C@H](O)COCc1ccccc1 ZINC000036102684 570539582 /nfs/dbraw/zinc/53/95/82/570539582.db2.gz ARFUBIIDUYKATJ-NRFANRHFSA-N 1 1 381.472 3.868 50 0 GHAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036146444 570549520 /nfs/dbraw/zinc/54/95/20/570549520.db2.gz WVDJCQOSXWSDPR-YADHBBJMSA-N 1 1 396.531 3.858 50 0 GHAAMO COc1ccc2cc([C@H](C)C(=O)NCCC[N@H+]3CCCO[C@H](C)C3)ccc2c1 ZINC000225462205 570576731 /nfs/dbraw/zinc/57/67/31/570576731.db2.gz VVGRTSVBQAKVQI-MSOLQXFVSA-N 1 1 384.520 3.569 50 0 GHAAMO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000225569746 570589231 /nfs/dbraw/zinc/58/92/31/570589231.db2.gz ZVHIPDCNQJPTBJ-QGZVFWFLSA-N 1 1 398.894 3.974 50 0 GHAAMO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)c(Cl)c1 ZINC000225612497 570593860 /nfs/dbraw/zinc/59/38/60/570593860.db2.gz XTEYHIWCSMHMAS-MRXNPFEDSA-N 1 1 397.910 3.584 50 0 GHAAMO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)c(Cl)c1 ZINC000225612497 570593865 /nfs/dbraw/zinc/59/38/65/570593865.db2.gz XTEYHIWCSMHMAS-MRXNPFEDSA-N 1 1 397.910 3.584 50 0 GHAAMO Cc1[nH+]cc(CN2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)n1C ZINC000011936581 570594101 /nfs/dbraw/zinc/59/41/01/570594101.db2.gz QWJWHIGHWNQUKH-FQEVSTJZSA-N 1 1 391.475 3.519 50 0 GHAAMO C[N@H+](CC(=O)NCc1ccc(Cl)cc1)Cc1ccc(Br)cc1 ZINC000003540469 570610929 /nfs/dbraw/zinc/61/09/29/570610929.db2.gz IFVBNWKCSSMWTG-UHFFFAOYSA-N 1 1 381.701 3.851 50 0 GHAAMO C[N@@H+](CC(=O)NCc1ccc(Cl)cc1)Cc1ccc(Br)cc1 ZINC000003540469 570610931 /nfs/dbraw/zinc/61/09/31/570610931.db2.gz IFVBNWKCSSMWTG-UHFFFAOYSA-N 1 1 381.701 3.851 50 0 GHAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2nn(C)c3c2CSc2ccccc2-3)C1 ZINC000006817694 570620344 /nfs/dbraw/zinc/62/03/44/570620344.db2.gz NMIDOUHBFGLZDY-OAHLLOKOSA-N 1 1 384.549 3.545 50 0 GHAAMO COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000036341159 570625463 /nfs/dbraw/zinc/62/54/63/570625463.db2.gz MDIKBHRBIOCIJA-JOCHJYFZSA-N 1 1 395.478 3.998 50 0 GHAAMO C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000033015056 570630025 /nfs/dbraw/zinc/63/00/25/570630025.db2.gz RRJWMGWFCSTXBC-OAHLLOKOSA-N 1 1 398.286 3.636 50 0 GHAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2sc3ncccc3c2-n2cccc2)C1 ZINC000033059856 570746955 /nfs/dbraw/zinc/74/69/55/570746955.db2.gz IWOPTFTUMOGGLI-INIZCTEOSA-N 1 1 382.533 3.939 50 0 GHAAMO O=C(NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000036699950 570794642 /nfs/dbraw/zinc/79/46/42/570794642.db2.gz RLLSWYZCGGSZRD-IBGZPJMESA-N 1 1 392.421 3.899 50 0 GHAAMO O=C(NCCC[N@H+]1CCO[C@H](c2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000036699950 570794645 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