smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccsc1)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCCC3)[N@H+]2C1 ZINC000015707515 291200611 /nfs/dbraw/zinc/20/06/11/291200611.db2.gz SQWHHZXAJGIZBE-XHSDSOJGSA-N 1 1 405.524 1.214 40 0 biogenic,in-vitro HDABMO O=C(Nc1ccsc1)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCCC3)[N@@H+]2C1 ZINC000015707515 291200612 /nfs/dbraw/zinc/20/06/12/291200612.db2.gz SQWHHZXAJGIZBE-XHSDSOJGSA-N 1 1 405.524 1.214 40 0 biogenic,in-vitro HDABMO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCC(F)(F)CC3)C2)C(=O)N1Cc1ccccc1 ZINC000225382369 291201554 /nfs/dbraw/zinc/20/15/54/291201554.db2.gz WENMMJCBROQAEK-MSOLQXFVSA-N 1 1 419.472 1.623 40 0 biogenic,in-vitro HDABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 ZINC000044908399 523171038 /nfs/dbraw/zinc/17/10/38/523171038.db2.gz WQSHNBYYXWPXPY-APWZRJJASA-N 1 1 409.552 1.984 40 0 HDABMO CN1C(SCC(=O)Nc2ccc(Br)cc2)=[NH+][C@H]2CS(=O)(=O)C[C@H]21 ZINC000032508633 523738541 /nfs/dbraw/zinc/73/85/41/523738541.db2.gz DXNFBXLQMOYYEB-NWDGAFQWSA-N 1 1 418.338 1.588 40 0 HDABMO C[C@H]1CN(c2nccc([C@@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]3C(=O)N(C)C)n2)C[C@H](C)O1 ZINC000072330536 524678217 /nfs/dbraw/zinc/67/82/17/524678217.db2.gz PSRDKYMVMORKTN-LTFXXXRZSA-N 1 1 417.554 1.230 40 0 HDABMO CC[NH+]1CCN(C(=O)N[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000001447088 557266520 /nfs/dbraw/zinc/26/65/20/557266520.db2.gz GLZINICFUJEKJF-MRXNPFEDSA-N 1 1 400.932 1.798 40 0 HDABMO COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000408586244 557489240 /nfs/dbraw/zinc/48/92/40/557489240.db2.gz AUTDMKLPOQPFAZ-CQSZACIVSA-N 1 1 415.943 1.523 40 0 HDABMO C[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)CC1 ZINC000408588658 557494293 /nfs/dbraw/zinc/49/42/93/557494293.db2.gz DNYBQIYKMHEUNC-UHFFFAOYSA-N 1 1 415.943 1.714 40 0 HDABMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000408595440 557513042 /nfs/dbraw/zinc/51/30/42/557513042.db2.gz RURBCBFUUVKAJK-MRXNPFEDSA-N 1 1 413.515 1.065 40 0 HDABMO O=C(Cn1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)ccc1=O)NCc1ccc(F)cc1 ZINC000019750964 558270990 /nfs/dbraw/zinc/27/09/90/558270990.db2.gz GHHCCNBARMAMSW-IBGZPJMESA-N 1 1 412.465 1.224 40 0 HDABMO O=C(Cn1cc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)ccc1=O)NCc1ccc(F)cc1 ZINC000019750962 558271028 /nfs/dbraw/zinc/27/10/28/558271028.db2.gz GHHCCNBARMAMSW-LJQANCHMSA-N 1 1 412.465 1.224 40 0 HDABMO CC(=O)NCC(=O)N1CC[C@H](c2cc(C(=O)N3CC[NH+](C)CC3)c3ccccc3n2)C1 ZINC000019761259 558276705 /nfs/dbraw/zinc/27/67/05/558276705.db2.gz WTECURJKXZUTSZ-KRWDZBQOSA-N 1 1 423.517 1.074 40 0 HDABMO COc1ccc(CC(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c2ccccc12 ZINC000012325558 558382957 /nfs/dbraw/zinc/38/29/57/558382957.db2.gz NHWZZBLFJWVTIN-QGZVFWFLSA-N 1 1 404.532 1.968 40 0 HDABMO c1coc([C@@H]2NC3=NCN(CCC[NH+]4CCOCC4)CN3c3nc4ccccc4n32)c1 ZINC000020638715 558396922 /nfs/dbraw/zinc/39/69/22/558396922.db2.gz ISSQMIBFGICQOK-HXUWFJFHSA-N 1 1 421.505 1.895 40 0 HDABMO CN(c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1)S(C)(=O)=O ZINC000022230687 558469289 /nfs/dbraw/zinc/46/92/89/558469289.db2.gz AQTBWXCFVYAFIU-UHFFFAOYSA-N 1 1 417.531 1.806 40 0 HDABMO CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000028201989 558692463 /nfs/dbraw/zinc/69/24/63/558692463.db2.gz LYAUKCGCQHBCEF-UHFFFAOYSA-N 1 1 417.531 1.964 40 0 HDABMO Cc1cccc2c1NC(=O)[C@]21[NH2+][C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016021827 558767574 /nfs/dbraw/zinc/76/75/74/558767574.db2.gz KIQXWIFEPXRZMZ-IUVQPBGHSA-N 1 1 423.444 1.436 40 0 HDABMO C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)CN2CC[NH+](C)CC2)cc1 ZINC000035313649 558789800 /nfs/dbraw/zinc/78/98/00/558789800.db2.gz XPHIWINFEWLEMK-IAGOWNOFSA-N 1 1 408.568 1.824 40 0 HDABMO CN(C)S(=O)(=O)c1cccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000047276285 558842017 /nfs/dbraw/zinc/84/20/17/558842017.db2.gz RMJLRUTWFATEMD-UHFFFAOYSA-N 1 1 417.531 1.699 40 0 HDABMO C[C@H](NC(=O)Cc1ccc2c(c1)CCCO2)c1cc(=O)[nH]c(N2CC[NH+](C)CC2)n1 ZINC000019458369 558892484 /nfs/dbraw/zinc/89/24/84/558892484.db2.gz HXPLGPAUHWXWBG-HNNXBMFYSA-N 1 1 411.506 1.267 40 0 HDABMO Cc1sc2ncn(CC3(O)CC[NH+](CC(=O)NC4CCCC4)CC3)c(=O)c2c1C ZINC000019561468 558922268 /nfs/dbraw/zinc/92/22/68/558922268.db2.gz JTSWCTIHEAZDHI-UHFFFAOYSA-N 1 1 418.563 1.961 40 0 HDABMO CS(=O)(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)[nH]c(=O)c2C1 ZINC000019572732 558930819 /nfs/dbraw/zinc/93/08/19/558930819.db2.gz FQCIJJNWGJXOSM-OAHLLOKOSA-N 1 1 420.510 1.606 40 0 HDABMO Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@@H](C)C(=O)N3CC[NH+](C)CC3)CC1)NC2=O ZINC000072327908 558934131 /nfs/dbraw/zinc/93/41/31/558934131.db2.gz QLRVXDQUYCUFOY-KSFYIVLOSA-N 1 1 413.522 1.022 40 0 HDABMO Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@H](C)C(=O)N3CC[NH+](C)CC3)CC1)NC2=O ZINC000072327910 558934207 /nfs/dbraw/zinc/93/42/07/558934207.db2.gz QLRVXDQUYCUFOY-OPAMFIHVSA-N 1 1 413.522 1.022 40 0 HDABMO CN(CCc1ccncc1)C(=O)C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019586283 558939487 /nfs/dbraw/zinc/93/94/87/558939487.db2.gz QYWYLUGZQOIIDR-IBGZPJMESA-N 1 1 409.534 1.855 40 0 HDABMO O=C(c1ccc(=O)[nH]c1)N1CC[N@@H+](Cc2ccccc2)C[C@@](O)(Cn2cccn2)C1 ZINC000072354515 558951702 /nfs/dbraw/zinc/95/17/02/558951702.db2.gz HBOHOTOFSSUAIN-QFIPXVFZSA-N 1 1 407.474 1.373 40 0 HDABMO CCc1[nH+]ccn1[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000019666320 558956030 /nfs/dbraw/zinc/95/60/30/558956030.db2.gz CZASWYIOKAZYFV-HNNXBMFYSA-N 1 1 406.508 1.548 40 0 HDABMO C[C@@H]1CN(c2nccc([C@@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]3C(=O)N(C)C)n2)C[C@@H](C)O1 ZINC000257288071 559000036 /nfs/dbraw/zinc/00/00/36/559000036.db2.gz PSRDKYMVMORKTN-FVVUREQNSA-N 1 1 417.554 1.230 40 0 HDABMO O=S(=O)(Cc1ccccc1)N1CCC2(CO[C@@H](C[N@@H+]3CCC[C@@H](O)C3)C2)CC1 ZINC000585103780 559025709 /nfs/dbraw/zinc/02/57/09/559025709.db2.gz JOCFOMNJFNQLIN-WOJBJXKFSA-N 1 1 408.564 1.844 40 0 HDABMO CC[C@H](C)C[N@H+]1C[C@@H]2C(=O)NC3(CCN(c4nc(OC)cc(OC)n4)CC3)[C@H]2C1 ZINC000585106024 559028266 /nfs/dbraw/zinc/02/82/66/559028266.db2.gz FSYLIQOKTUJEHL-JYJNAYRXSA-N 1 1 403.527 1.557 40 0 HDABMO COc1ncc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCc3ccon3)C2)cc1C ZINC000585109647 559029430 /nfs/dbraw/zinc/02/94/30/559029430.db2.gz YKUQBIISJRCVQR-QRQLOZEOSA-N 1 1 400.479 1.930 40 0 HDABMO O=C(c1ccccn1)N1CCC2(C[N@@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000096036344 559089917 /nfs/dbraw/zinc/08/99/17/559089917.db2.gz DBRXKVHMCGSSSK-HSZRJFAPSA-N 1 1 405.502 1.721 40 0 HDABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)NC)C1)CCN(S(=O)(=O)c1cccnc1)CC3 ZINC000096143867 559096280 /nfs/dbraw/zinc/09/62/80/559096280.db2.gz UUIGMCYPCJOXGT-FXAWDEMLSA-N 1 1 406.552 1.330 40 0 HDABMO C[NH+]1CCN(C(=O)c2cc(-c3cnc(N4CCOCC4)nc3)cn2CC2CC2)CC1 ZINC000096147694 559098658 /nfs/dbraw/zinc/09/86/58/559098658.db2.gz SGIJYZFQVAHCIF-UHFFFAOYSA-N 1 1 410.522 1.579 40 0 HDABMO C[N@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@@H](O)COc1ccccc1 ZINC000585262523 559111113 /nfs/dbraw/zinc/11/11/13/559111113.db2.gz KHFCHVBEGUSPDN-HXUWFJFHSA-N 1 1 414.502 1.796 40 0 HDABMO CCOCCOc1ccc(C[N@H+]2CC[C@](O)(CN3CCN(C(C)=O)CC3)C2)cc1 ZINC000585269857 559116209 /nfs/dbraw/zinc/11/62/09/559116209.db2.gz MKSUEHAAXWCVMB-QFIPXVFZSA-N 1 1 405.539 1.203 40 0 HDABMO COc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCCOCCO)cc2)cc1 ZINC000585270509 559116300 /nfs/dbraw/zinc/11/63/00/559116300.db2.gz YEMCSSXPSZATEY-IBGZPJMESA-N 1 1 405.491 1.955 40 0 HDABMO CC(=O)N1CCC([N@H+]2CCN(C(C)=O)C[C@@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585282065 559119863 /nfs/dbraw/zinc/11/98/63/559119863.db2.gz GSQXLWVXSVSYMX-NRFANRHFSA-N 1 1 407.486 1.111 40 0 HDABMO CC(C)N1CC[NH+](C[C@@]2(O)CCN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]2O)CC1 ZINC000585284554 559121200 /nfs/dbraw/zinc/12/12/00/559121200.db2.gz LTYDZMLKQXZDLE-FPOVZHCZSA-N 1 1 409.958 1.233 40 0 HDABMO C[N@@H+](CCc1ccccn1)C[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1O ZINC000585285745 559121743 /nfs/dbraw/zinc/12/17/43/559121743.db2.gz SKBSUDOPFSLRSM-UNMCSNQZSA-N 1 1 417.937 1.776 40 0 HDABMO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)[NH2+][C@@]21C(=O)Nc2c1cc(C)cc2Cl ZINC000105351335 559162626 /nfs/dbraw/zinc/16/26/26/559162626.db2.gz MHUDSBSAPUUZHC-ZKWFHNHBSA-N 1 1 405.882 1.548 40 0 HDABMO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)[NH2+][C@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000105351239 559162655 /nfs/dbraw/zinc/16/26/55/559162655.db2.gz KYBSGTWCHDEYMC-IXBIWJQXSA-N 1 1 405.882 1.548 40 0 HDABMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)[NH2+][C@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000105351237 559162667 /nfs/dbraw/zinc/16/26/67/559162667.db2.gz KYBSGTWCHDEYMC-DQMRNXAQSA-N 1 1 405.882 1.548 40 0 HDABMO COCCNC(=O)c1ccc2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCN3C)n2c1 ZINC000107189280 559164842 /nfs/dbraw/zinc/16/48/42/559164842.db2.gz ORVNXICNFVUAGK-IBGZPJMESA-N 1 1 408.506 1.594 40 0 HDABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 ZINC000260408973 559279203 /nfs/dbraw/zinc/27/92/03/559279203.db2.gz WQSHNBYYXWPXPY-QFBILLFUSA-N 1 1 409.552 1.984 40 0 HDABMO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3ccc(F)cc3)C2)C1 ZINC000514290404 560029205 /nfs/dbraw/zinc/02/92/05/560029205.db2.gz YEVZQZJSCBTFKS-FCHUYYIVSA-N 1 1 409.505 1.900 40 0 biogenic,in-vitro HDABMO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3ccc(F)cc3)C2)C1 ZINC000514290404 560029207 /nfs/dbraw/zinc/02/92/07/560029207.db2.gz YEVZQZJSCBTFKS-FCHUYYIVSA-N 1 1 409.505 1.900 40 0 biogenic,in-vitro HDABMO Cc1cccc2c1NC(=O)[C@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000105350905 560738256 /nfs/dbraw/zinc/73/82/56/560738256.db2.gz KIQXWIFEPXRZMZ-ONYWJIHRSA-N 1 1 423.444 1.436 40 0 HDABMO Cc1cc(=O)n2c(n1)NC(N1CCN(c3ncccn3)CC1)=[NH+][C@@H]2[C@H]1CC=CCC1 ZINC000009289551 560757844 /nfs/dbraw/zinc/75/78/44/560757844.db2.gz JXQUFCSSIBBSGG-WMZOPIPTSA-N 1 1 406.494 1.800 40 0 HDABMO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2c1cc(C)cc2Cl ZINC000016022019 560858135 /nfs/dbraw/zinc/85/81/35/560858135.db2.gz MHUDSBSAPUUZHC-LRPMNOKDSA-N 1 1 405.882 1.548 40 0 HDABMO CCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000019824693 560875995 /nfs/dbraw/zinc/87/59/95/560875995.db2.gz QHEVRLCRDQCQOQ-UHFFFAOYSA-N 1 1 418.563 1.955 40 0 HDABMO COc1cc([C@H](c2nnnn2C(C)(C)C)N2CC[NH+](C)CC2)cc(OC)c1OC ZINC000020139647 560881168 /nfs/dbraw/zinc/88/11/68/560881168.db2.gz AZMSAOYRBTXCEU-QGZVFWFLSA-N 1 1 404.515 1.791 40 0 HDABMO CCN(CC)c1ncc2c(cc(C3CC[NH+](CC(=O)NCCOC)CC3)[nH]c2=O)n1 ZINC000057775395 568497462 /nfs/dbraw/zinc/49/74/62/568497462.db2.gz GHXKWSKNWFIXRM-UHFFFAOYSA-N 1 1 416.526 1.106 40 0 HDABMO CN(c1cccc(C(=O)NCCC[NH+]2CCOCC2)c1)S(=O)(=O)c1ccccc1 ZINC000222534520 568517618 /nfs/dbraw/zinc/51/76/18/568517618.db2.gz AXCRYBXKBWDSEU-UHFFFAOYSA-N 1 1 417.531 1.964 40 0 HDABMO Cn1cccc1/C=C(/NC(=O)c1cccs1)C(=O)NCCC[NH+]1CCOCC1 ZINC000026440112 568547167 /nfs/dbraw/zinc/54/71/67/568547167.db2.gz MIULYINLWWNMLD-BMRADRMJSA-N 1 1 402.520 1.696 40 0 HDABMO CN(c1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1)S(C)(=O)=O ZINC000224555063 568584996 /nfs/dbraw/zinc/58/49/96/568584996.db2.gz MKRPUQNBEYHGAH-UHFFFAOYSA-N 1 1 417.531 1.845 40 0 HDABMO Cc1cccc(C(=O)N2CC[C@]3(C2)COCc2cnc(N4CC[NH+](C)CC4)nc23)c1 ZINC000248107209 568747509 /nfs/dbraw/zinc/74/75/09/568747509.db2.gz GCWNDBXVQHAPIT-QHCPKHFHSA-N 1 1 407.518 1.851 40 0 HDABMO C[NH+]1CCN(c2ncc3c(n2)[C@@]2(CCN(C(=O)COC4CCCC4)C2)COC3)CC1 ZINC000248128554 568747675 /nfs/dbraw/zinc/74/76/75/568747675.db2.gz MMPWJJPHKJRVPT-JOCHJYFZSA-N 1 1 415.538 1.188 40 0 HDABMO CN1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)CC1 ZINC000257210199 568779216 /nfs/dbraw/zinc/77/92/16/568779216.db2.gz BTQDFRZKCKUINH-JOCHJYFZSA-N 1 1 415.513 1.820 40 0 HDABMO Cn1nc(C(=O)N2CC[C@H](O)[C@@H]([NH+]3CCOCC3)CC2)cc1-c1ccc(F)cc1 ZINC000257230417 568784998 /nfs/dbraw/zinc/78/49/98/568784998.db2.gz GCFLHBSOVNUYSH-ICSRJNTNSA-N 1 1 402.470 1.524 40 0 HDABMO COCCC(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257252860 568791234 /nfs/dbraw/zinc/79/12/34/568791234.db2.gz JWJMPNGSKUCFRS-PXNSSMCTSA-N 1 1 421.513 1.622 40 0 HDABMO CCn1c2ccc(NC(=O)C[N@@H+]3CCC[C@](C(N)=O)(c4ccccn4)C3)cc2oc1=O ZINC000257275468 568797230 /nfs/dbraw/zinc/79/72/30/568797230.db2.gz NPNXBVFTEGMPOZ-JOCHJYFZSA-N 1 1 423.473 1.467 40 0 HDABMO CCn1c2ccc(NC(=O)C[N@H+]3CCC[C@](C(N)=O)(c4ccccn4)C3)cc2oc1=O ZINC000257275468 568797232 /nfs/dbraw/zinc/79/72/32/568797232.db2.gz NPNXBVFTEGMPOZ-JOCHJYFZSA-N 1 1 423.473 1.467 40 0 HDABMO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)[C@H]1O ZINC000257286097 568800262 /nfs/dbraw/zinc/80/02/62/568800262.db2.gz PKGBPJOSYYVSNI-JFIYKMOQSA-N 1 1 417.510 1.407 40 0 HDABMO C[N@@H+](Cc1cc(C(C)(C)C)ccc1OCC(N)=O)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257337877 568815346 /nfs/dbraw/zinc/81/53/46/568815346.db2.gz YUVWQGHATQGJML-WOIUINJBSA-N 1 1 419.566 1.504 40 0 HDABMO CN1CCCN(C(=O)c2nnc3n2CCOC32CC[NH+](Cc3ccco3)CC2)CC1 ZINC000306123604 568886800 /nfs/dbraw/zinc/88/68/00/568886800.db2.gz ARHYXQDAOVKWTQ-UHFFFAOYSA-N 1 1 414.510 1.170 40 0 HDABMO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CC[N@H+](Cc2nccs2)C1 ZINC000306124342 568887229 /nfs/dbraw/zinc/88/72/29/568887229.db2.gz BNADEJOAKMFHSG-GOSISDBHSA-N 1 1 401.517 1.519 40 0 HDABMO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CC[N@@H+](Cc2nccs2)C1 ZINC000306124342 568887231 /nfs/dbraw/zinc/88/72/31/568887231.db2.gz BNADEJOAKMFHSG-GOSISDBHSA-N 1 1 401.517 1.519 40 0 HDABMO COc1ccc(C[N@H+]2CC[C@]3(C2)Cn2c(nn(CC(C)C)c(=O)c2=O)CO3)cc1 ZINC000306136681 568898439 /nfs/dbraw/zinc/89/84/39/568898439.db2.gz QADXAFQNHMIMCO-NRFANRHFSA-N 1 1 400.479 1.245 40 0 HDABMO C[N@H+]1C[C@@H](C(=O)NCc2cccs2)[C@]2(C1)CCCN(C(=O)N1CCOCC1)CC2 ZINC000306144893 568906221 /nfs/dbraw/zinc/90/62/21/568906221.db2.gz ZRPTZVFQSHPONY-GHTZIAJQSA-N 1 1 420.579 1.850 40 0 HDABMO C[C@@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016033923 569027967 /nfs/dbraw/zinc/02/79/67/569027967.db2.gz WILWCVSJERCUGF-AVWHDBODSA-N 1 1 423.444 1.170 40 0 HDABMO CC(=O)N1CCC(c2cc(C[NH+](C)C)n(CCNC(=O)c3scnc3C)n2)CC1 ZINC000019709135 569348089 /nfs/dbraw/zinc/34/80/89/569348089.db2.gz LHLFRVBQDUGUSE-UHFFFAOYSA-N 1 1 418.567 1.866 40 0 HDABMO COc1cc(C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc(OC)c1OC ZINC000045855671 569352182 /nfs/dbraw/zinc/35/21/82/569352182.db2.gz JFDRHBWPEUKMNI-UHFFFAOYSA-N 1 1 405.495 1.339 40 0 HDABMO C[N@H+](CCc1ccccn1)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NC(=O)Nc2ccc(F)cc2)[C@@H]1O ZINC000012489988 291193265 /nfs/dbraw/zinc/19/32/65/291193265.db2.gz BAFNHISWONBLPB-LTFPLMDUSA-N 1 1 416.453 1.370 40 0 biogenic,in-vitro HDABMO C[N@@H+](CCc1ccccn1)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NC(=O)Nc2ccc(F)cc2)[C@@H]1O ZINC000012489988 291193267 /nfs/dbraw/zinc/19/32/67/291193267.db2.gz BAFNHISWONBLPB-LTFPLMDUSA-N 1 1 416.453 1.370 40 0 biogenic,in-vitro HDABMO C[N@@H+](CCc1ccccc1)[C@H]1[C@@H](CNC(=O)Nc2ccsc2)O[C@@H](CO)[C@H]1O ZINC000020465797 291193293 /nfs/dbraw/zinc/19/32/93/291193293.db2.gz JMTGXEAVGHLXGR-YDZRNGNQSA-N 1 1 405.520 1.533 40 0 biogenic,in-vitro HDABMO O=C(Nc1ccsc1)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCCCC3)[N@H+]2C1 ZINC000015708530 291200605 /nfs/dbraw/zinc/20/06/05/291200605.db2.gz SCMDEZRUWNUGAH-BBWFWOEESA-N 1 1 419.551 1.604 40 0 biogenic,in-vitro HDABMO O=C(Nc1ccsc1)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCCCC3)[N@@H+]2C1 ZINC000015708530 291200606 /nfs/dbraw/zinc/20/06/06/291200606.db2.gz SCMDEZRUWNUGAH-BBWFWOEESA-N 1 1 419.551 1.604 40 0 biogenic,in-vitro HDABMO CNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000019824689 521928290 /nfs/dbraw/zinc/92/82/90/521928290.db2.gz AIONDBVDTNEAET-UHFFFAOYSA-N 1 1 404.536 1.565 40 0 HDABMO CN1C(SCC(=O)Nc2ccc(Br)cc2)=[NH+][C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000032508636 523738729 /nfs/dbraw/zinc/73/87/29/523738729.db2.gz DXNFBXLQMOYYEB-NEPJUHHUSA-N 1 1 418.338 1.588 40 0 HDABMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000019749529 558269063 /nfs/dbraw/zinc/26/90/63/558269063.db2.gz PYEJHRJUFXNZSN-GOSISDBHSA-N 1 1 404.492 1.016 40 0 HDABMO Cc1ccc(C(=O)NCCC[NH+]2CCN(C)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000022935134 558526033 /nfs/dbraw/zinc/52/60/33/558526033.db2.gz SOPXFVZSSIMGOW-UHFFFAOYSA-N 1 1 422.595 1.537 40 0 HDABMO Cc1ccc(C(=O)NCCC[NH+]2CCN(C)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000022934854 558526071 /nfs/dbraw/zinc/52/60/71/558526071.db2.gz HNZIIICRGIBWFM-UHFFFAOYSA-N 1 1 408.568 1.147 40 0 HDABMO CC[C@H](C(=O)NCCC[NH+]1CCOCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712815 558576919 /nfs/dbraw/zinc/57/69/19/558576919.db2.gz RVESEBRMLGSSQV-QGZVFWFLSA-N 1 1 417.959 1.723 40 0 HDABMO C[C@H]1CCC[N@@H+](CCC(=O)N2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)C1 ZINC000019496555 558895488 /nfs/dbraw/zinc/89/54/88/558895488.db2.gz SYOBXGVDOSAECQ-SFHVURJKSA-N 1 1 412.534 1.872 40 0 HDABMO C[C@@H]1CN(c2nccc([C@@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C(=O)N(C)C)n2)C[C@@H](C)O1 ZINC000019497723 558896302 /nfs/dbraw/zinc/89/63/02/558896302.db2.gz UVWNBTKHBFWNMH-HNBVOPMISA-N 1 1 424.549 1.789 40 0 HDABMO COc1ccc(S(=O)(=O)N2CCN(C(=O)c3noc(C)c3C[NH+](C)C)CC2)cc1 ZINC000019663515 558954484 /nfs/dbraw/zinc/95/44/84/558954484.db2.gz JZTRXMNKDNYHQK-UHFFFAOYSA-N 1 1 422.507 1.200 40 0 HDABMO NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCC[N@@H+]2CC(=O)N2CCCC2)cc1 ZINC000072376842 558966082 /nfs/dbraw/zinc/96/60/82/558966082.db2.gz WDHIPUWSUKSBBN-GOSISDBHSA-N 1 1 408.506 1.974 40 0 HDABMO NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCC[N@H+]2CC(=O)N2CCCC2)cc1 ZINC000072376842 558966084 /nfs/dbraw/zinc/96/60/84/558966084.db2.gz WDHIPUWSUKSBBN-GOSISDBHSA-N 1 1 408.506 1.974 40 0 HDABMO CNc1nc([C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)nc2c1CC[N@H+](C)C2 ZINC000019708460 558970830 /nfs/dbraw/zinc/97/08/30/558970830.db2.gz NTTIYIYQRDDYSP-AWEZNQCLSA-N 1 1 420.539 1.679 40 0 HDABMO CNc1nc([C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708460 558970831 /nfs/dbraw/zinc/97/08/31/558970831.db2.gz NTTIYIYQRDDYSP-AWEZNQCLSA-N 1 1 420.539 1.679 40 0 HDABMO C[C@@H]1CN(c2nccc([C@@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]3C(=O)N(C)C)n2)C[C@H](C)O1 ZINC000257288072 559000050 /nfs/dbraw/zinc/00/00/50/559000050.db2.gz PSRDKYMVMORKTN-RHQZKXFESA-N 1 1 417.554 1.230 40 0 HDABMO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CC[C@H](O)C4)C3)CC2)c1 ZINC000585104852 559027254 /nfs/dbraw/zinc/02/72/54/559027254.db2.gz UKQXIUUAODMHPB-FXAWDEMLSA-N 1 1 404.507 1.782 40 0 HDABMO Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CC(C)C)C[C@@H]23)cc1 ZINC000585106039 559028279 /nfs/dbraw/zinc/02/82/79/559028279.db2.gz GYWZXXIHLFZPNV-MOPGFXCFSA-N 1 1 405.564 1.852 40 0 HDABMO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000585183506 559070295 /nfs/dbraw/zinc/07/02/95/559070295.db2.gz WTSFUXXDCVTOKZ-LJQANCHMSA-N 1 1 424.501 1.329 40 0 HDABMO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000585183506 559070296 /nfs/dbraw/zinc/07/02/96/559070296.db2.gz WTSFUXXDCVTOKZ-LJQANCHMSA-N 1 1 424.501 1.329 40 0 HDABMO CC(=O)N1CCC([N@H+]2CCN(C(C)=O)C[C@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585282067 559119930 /nfs/dbraw/zinc/11/99/30/559119930.db2.gz GSQXLWVXSVSYMX-OAQYLSRUSA-N 1 1 407.486 1.111 40 0 HDABMO CCOC(=O)N1CCC(O)(C[N@H+]2CCC[C@@H]3[C@H]2CCCC(=O)N3CCOC)CC1 ZINC000585282265 559120087 /nfs/dbraw/zinc/12/00/87/559120087.db2.gz CFTJKLDUUXLAAY-QZTJIDSGSA-N 1 1 411.543 1.462 40 0 HDABMO CC(=O)N1CCC(O)(C[N@H+]2CCOC[C@](O)(COc3cc(C)cc(C)c3C)C2)CC1 ZINC000585283511 559120638 /nfs/dbraw/zinc/12/06/38/559120638.db2.gz RJIWMFXBIWZNEN-QHCPKHFHSA-N 1 1 420.550 1.427 40 0 HDABMO Cc1[nH+]ccn1CCC(=O)N1CCO[C@@](COc2ccc(Cl)cc2)(CC(N)=O)C1 ZINC000585284003 559120927 /nfs/dbraw/zinc/12/09/27/559120927.db2.gz GNWAECCTOTXWEY-FQEVSTJZSA-N 1 1 420.897 1.787 40 0 HDABMO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(CCc3ccccc3)C2)C1 ZINC000514290272 560030035 /nfs/dbraw/zinc/03/00/35/560030035.db2.gz VXPVWCUJRXPXQB-XZOQPEGZSA-N 1 1 405.542 1.804 40 0 biogenic,in-vitro HDABMO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(CCc3ccccc3)C2)C1 ZINC000514290272 560030036 /nfs/dbraw/zinc/03/00/36/560030036.db2.gz VXPVWCUJRXPXQB-XZOQPEGZSA-N 1 1 405.542 1.804 40 0 biogenic,in-vitro HDABMO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)CN2C2(C[NH+](CCc3ccccc3)C2)C1 ZINC000514290272 560030037 /nfs/dbraw/zinc/03/00/37/560030037.db2.gz VXPVWCUJRXPXQB-XZOQPEGZSA-N 1 1 405.542 1.804 40 0 biogenic,in-vitro HDABMO C[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1 ZINC000409196029 560690336 /nfs/dbraw/zinc/69/03/36/560690336.db2.gz SIJFLGMEFLHBIT-UHFFFAOYSA-N 1 1 403.504 1.318 40 0 HDABMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000016024950 560858103 /nfs/dbraw/zinc/85/81/03/560858103.db2.gz OWTVRJFUUJRVCS-VBSONRBYSA-N 1 1 405.882 1.548 40 0 HDABMO CC[C@@H](C(=O)NCCC[NH+]1CCOCC1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220573722 568507053 /nfs/dbraw/zinc/50/70/53/568507053.db2.gz ABKTVRYTYDBWDY-IBGZPJMESA-N 1 1 411.568 1.687 40 0 HDABMO CS(=O)(=O)N(CCCC(=O)NCCC[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000222680465 568523489 /nfs/dbraw/zinc/52/34/89/568523489.db2.gz URPMZOLZACSUFC-UHFFFAOYSA-N 1 1 419.494 1.350 40 0 HDABMO CN1CCN(c2ncc3c(n2)[C@@]2(CC[N@@H+](Cc4ccc(O)c(F)c4)C2)COC3)CC1 ZINC000248158934 568747967 /nfs/dbraw/zinc/74/79/67/568747967.db2.gz WPMXHHFZCAZWQY-JOCHJYFZSA-N 1 1 413.497 1.747 40 0 HDABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)c3cc(-c4ccccc4)n[nH]3)[C@H]2O)CC1 ZINC000257204742 568777515 /nfs/dbraw/zinc/77/75/15/568777515.db2.gz AWDQHKMXLCWUOQ-DUXKGJEZSA-N 1 1 411.506 1.253 40 0 HDABMO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3[nH]nc4ccccc43)CC2)CC1 ZINC000257206251 568777831 /nfs/dbraw/zinc/77/78/31/568777831.db2.gz BCPJZBOXSJOOLJ-JOCHJYFZSA-N 1 1 413.522 1.521 40 0 HDABMO CCN(CC)c1ccc(C(=O)N[C@@H]2CC[C@@H]([NH+]3CCN(C(C)=O)CC3)[C@@H]2O)c(O)c1 ZINC000257255055 568791677 /nfs/dbraw/zinc/79/16/77/568791677.db2.gz KFXGRTPHHZNUMW-SFHLNBCPSA-N 1 1 418.538 1.024 40 0 HDABMO C[N@@H+](Cc1cc(OCc2ccccc2)ccc1OCC(N)=O)[C@@H]1CCC[C@@H](O)[C@@H]1O ZINC000257262402 568793445 /nfs/dbraw/zinc/79/34/45/568793445.db2.gz LLFQJBSTFXABES-TXTKFYIRSA-N 1 1 414.502 1.836 40 0 HDABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)c3cc4ccc(F)cc4[nH]3)[C@H]2O)CC1 ZINC000257267750 568795044 /nfs/dbraw/zinc/79/50/44/568795044.db2.gz MIPJPPYYIGFFAP-NSISKUIASA-N 1 1 402.470 1.483 40 0 HDABMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1C[N@@H+](C)CC[C@H]2O ZINC000257296328 568803456 /nfs/dbraw/zinc/80/34/56/568803456.db2.gz RCHPMZUPFZCBAK-XFKSJGNHSA-N 1 1 412.490 1.046 40 0 HDABMO CC[N@@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1 ZINC000257305206 568806177 /nfs/dbraw/zinc/80/61/77/568806177.db2.gz SOWXAIGBFKXOCN-FQEVSTJZSA-N 1 1 401.467 1.162 40 0 HDABMO Cc1c(C(=O)N(C)[C@@H]2CC[C@@H]([NH+]3CCOCC3)[C@@H]2O)nnn1-c1ccc(Cl)cc1 ZINC000257313871 568808294 /nfs/dbraw/zinc/80/82/94/568808294.db2.gz UUKYTVRGGLKSCV-ZHALLVOQSA-N 1 1 419.913 1.525 40 0 HDABMO CN1C(=O)C2(CCN(C(=O)CC[NH+]3CCOCC3)CC2)C[C@@H](O)[C@@H]1c1ccccc1 ZINC000257313713 568808429 /nfs/dbraw/zinc/80/84/29/568808429.db2.gz UTTGVTCBOWGFTF-CTNGQTDRSA-N 1 1 415.534 1.282 40 0 HDABMO COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cccnc3C)[C@H]([N@@H+](C)CCO)[C@H]2O)c1 ZINC000257321477 568810863 /nfs/dbraw/zinc/81/08/63/568810863.db2.gz WBVSHTUGUFUMFS-CGXNFDGLSA-N 1 1 415.490 1.002 40 0 HDABMO Cc1nc2ccccc2n1CCCC(=O)N1CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257344053 568817163 /nfs/dbraw/zinc/81/71/63/568817163.db2.gz ZVOGJFYSAQXFOK-SFTDATJTSA-N 1 1 400.523 1.809 40 0 HDABMO C[C@H](NS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000008221813 569339864 /nfs/dbraw/zinc/33/98/64/569339864.db2.gz XNVAHCZMLBVJFK-KRWDZBQOSA-N 1 1 417.531 1.879 40 0 HDABMO CC(=O)N1CCC(c2cc(C[NH+](C)C)n(CCNC(=O)c3oc(C)nc3C)n2)CC1 ZINC000019709137 569348049 /nfs/dbraw/zinc/34/80/49/569348049.db2.gz FARHJBQRULBXAU-UHFFFAOYSA-N 1 1 416.526 1.705 40 0 HDABMO COCCOc1ccc(C(=O)N[C@@H]2C[N@H+](C3CCN(C)CC3)CCC[C@H]2O)cc1 ZINC000015672213 291195374 /nfs/dbraw/zinc/19/53/74/291195374.db2.gz FGECBEWQRBMMQU-NHCUHLMSSA-N 1 1 405.539 1.361 40 0 biogenic,in-vitro HDABMO COC[C@H]1CCC[N@H+]1C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccccc1 ZINC000067870906 291195567 /nfs/dbraw/zinc/19/55/67/291195567.db2.gz VCZFEGLFMVMQMA-VNTMZGSJSA-N 1 1 407.580 1.786 40 0 biogenic,in-vitro HDABMO O=S(=O)(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020503803 291201814 /nfs/dbraw/zinc/20/18/14/291201814.db2.gz COKZCMQHGXFWME-XYJFISCASA-N 1 1 413.971 1.661 40 0 biogenic,in-vitro HDABMO O=C(Cn1cc(C(=O)Nc2ccc(F)cc2)ccc1=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000019751543 558271603 /nfs/dbraw/zinc/27/16/03/558271603.db2.gz LSRVOXBUXHXIRI-IBGZPJMESA-N 1 1 412.465 1.936 40 0 HDABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000020480938 558374888 /nfs/dbraw/zinc/37/48/88/558374888.db2.gz VDRVCNMDYGOUNT-KRWDZBQOSA-N 1 1 405.524 1.315 40 0 HDABMO O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCC[NH+]1CCOCC1 ZINC000027689285 558680280 /nfs/dbraw/zinc/68/02/80/558680280.db2.gz CLSZKQOTSQUGGN-UHFFFAOYSA-N 1 1 423.579 1.632 40 0 HDABMO COc1ccc(/C=C2/SC(=O)N(CCC(=O)N3CC[NH+](C)CC3)C2=O)cc1OC ZINC000016689676 558800102 /nfs/dbraw/zinc/80/01/02/558800102.db2.gz NTLXFPWZDKNUEV-GHRIWEEISA-N 1 1 419.503 1.904 40 0 HDABMO CN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000018217458 558833858 /nfs/dbraw/zinc/83/38/58/558833858.db2.gz DXAKKCPRVWHJID-UHFFFAOYSA-N 1 1 417.531 1.699 40 0 HDABMO Cc1cccc(OC[C@H](O)C[NH+]2CCN(Cc3ccnc(N4CCCC4)n3)CC2)c1 ZINC000019235150 558854221 /nfs/dbraw/zinc/85/42/21/558854221.db2.gz VLORYHMTHPWKDC-OAQYLSRUSA-N 1 1 411.550 1.943 40 0 HDABMO O=C1CCC[C@]2(C[N@@H+](Cc3cnc(N4CCOCC4)nc3)C[C@H]2c2cccnc2)N1 ZINC000019339972 558871420 /nfs/dbraw/zinc/87/14/20/558871420.db2.gz NRIFNPUSYCWSDE-SIKLNZKXSA-N 1 1 408.506 1.347 40 0 HDABMO O=C1CCC[C@]2(C[N@@H+](Cc3cnc(N4CCOCC4)nc3)C[C@H]2c2ccccc2)N1 ZINC000019373763 558880914 /nfs/dbraw/zinc/88/09/14/558880914.db2.gz FDYQSFLBFHCBOK-NZQKXSOJSA-N 1 1 407.518 1.952 40 0 HDABMO COc1ccc(C[N@H+]2C[C@@H](C(=O)N(C)C)[C@]3(C2)Cc2ccccc2C(=O)N3)cc1OC ZINC000072334453 558935653 /nfs/dbraw/zinc/93/56/53/558935653.db2.gz WWYBLGQHJZTKNM-YADARESESA-N 1 1 423.513 1.949 40 0 HDABMO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)c4ccc5c(c4)OCCO5)C3)[nH]c(=O)c2C1 ZINC000019590269 558940924 /nfs/dbraw/zinc/94/09/24/558940924.db2.gz HUPLNJSCWWRAJN-HNNXBMFYSA-N 1 1 410.474 1.961 40 0 HDABMO NC(=O)CC[N@H+]1CCC[C@H](C(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)C1 ZINC000019654805 558948263 /nfs/dbraw/zinc/94/82/63/558948263.db2.gz DWEMVECGODJFAU-HNNXBMFYSA-N 1 1 408.524 1.143 40 0 HDABMO CN1C(=O)N(CC(=O)N2CCC[N@H+](Cc3ccccn3)CC2)C(=O)C12CCCCC2 ZINC000019661523 558952461 /nfs/dbraw/zinc/95/24/61/558952461.db2.gz RBMZWSPOPYZNPL-UHFFFAOYSA-N 1 1 413.522 1.713 40 0 HDABMO CN1C(=O)N(CC(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)C(=O)C12CCCCC2 ZINC000019661523 558952464 /nfs/dbraw/zinc/95/24/64/558952464.db2.gz RBMZWSPOPYZNPL-UHFFFAOYSA-N 1 1 413.522 1.713 40 0 HDABMO O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000036151839 558983629 /nfs/dbraw/zinc/98/36/29/558983629.db2.gz BIFWRLIMBVQLOC-ZMHGRXQUSA-N 1 1 417.421 1.847 40 0 HDABMO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1CN(C(=O)C1CC(O)C1)CCC2 ZINC000585108088 559029892 /nfs/dbraw/zinc/02/98/92/559029892.db2.gz VPLVANUUVLVRRK-DTFVCFORSA-N 1 1 415.534 1.765 40 0 HDABMO COCC[N@H+]1CC2(CCN(C(=O)c3cc(C)oc3C)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096144254 559096529 /nfs/dbraw/zinc/09/65/29/559096529.db2.gz OHILSSJXCBAFDQ-QFIPXVFZSA-N 1 1 403.523 1.929 40 0 HDABMO COCC[N@H+]1CC2(CCN(C(=O)Cc3ccc(OC)cc3)CC2)[C@]2(CCNC2=O)C1 ZINC000096262516 559106514 /nfs/dbraw/zinc/10/65/14/559106514.db2.gz DHBQRJZKEQMFKC-HSZRJFAPSA-N 1 1 415.534 1.315 40 0 HDABMO CC[N@H+]1CC[C@@]2(C(=O)N3CCOCC3)CCN(C(=O)NCc3ccccc3)CC[C@@H]12 ZINC000096263644 559107237 /nfs/dbraw/zinc/10/72/37/559107237.db2.gz CQGNIRZOVTXVQI-NFBKMPQASA-N 1 1 414.550 1.931 40 0 HDABMO Cc1ccccc1N1CCC(O)(C[N@H+]2CC[C@@H]3[C@H](C2)CCCCN3CC(N)=O)CC1 ZINC000585282572 559120132 /nfs/dbraw/zinc/12/01/32/559120132.db2.gz HBTCHXHROHSKDR-RBBKRZOGSA-N 1 1 414.594 1.988 40 0 HDABMO Cc1ccc(N2CCC(O)(C[N@H+]3CC[C@@H]4[C@H](C3)CCCCN4CC(N)=O)CC2)cc1 ZINC000585283399 559120677 /nfs/dbraw/zinc/12/06/77/559120677.db2.gz OATYGZKDPSSZDL-RBBKRZOGSA-N 1 1 414.594 1.988 40 0 HDABMO CCOC(=O)N1CCC(O)(C[N@H+]2CCC[C@@H]3[C@H]2CCCCN3S(C)(=O)=O)CC1 ZINC000585284516 559121104 /nfs/dbraw/zinc/12/11/04/559121104.db2.gz SUIVJJIAXJLCJK-IAGOWNOFSA-N 1 1 417.572 1.248 40 0 HDABMO Cc1cc(C)n(CCOc2ccc(C[N@H+]3CC[C@@](O)(CN4CCOCC4)C3)cc2)n1 ZINC000257218954 559282255 /nfs/dbraw/zinc/28/22/55/559282255.db2.gz DEZOLSCDCBZZKL-HSZRJFAPSA-N 1 1 414.550 1.848 40 0 HDABMO NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000257261920 559284744 /nfs/dbraw/zinc/28/47/44/559284744.db2.gz LJILSAKZJHSVFI-LJQANCHMSA-N 1 1 424.501 1.458 40 0 HDABMO NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000257261920 559284745 /nfs/dbraw/zinc/28/47/45/559284745.db2.gz LJILSAKZJHSVFI-LJQANCHMSA-N 1 1 424.501 1.458 40 0 HDABMO CC(=O)N1CCN(C[C@]2(O)CC[N@@H+](Cc3ccc(OCc4ccccn4)cc3)C2)CC1 ZINC000257262320 559284814 /nfs/dbraw/zinc/28/48/14/559284814.db2.gz LKXRCBWDGOZXBH-XMMPIXPASA-N 1 1 424.545 1.762 40 0 HDABMO COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C3(CN(CC(C)(C)C)C3)C2)c1 ZINC000514289906 560031411 /nfs/dbraw/zinc/03/14/11/560031411.db2.gz PXBXDNZYJXYDAH-VQTJNVASSA-N 1 1 401.551 1.825 40 0 biogenic,in-vitro HDABMO COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C3(CN(CC(C)(C)C)C3)C2)c1 ZINC000514289906 560031412 /nfs/dbraw/zinc/03/14/12/560031412.db2.gz PXBXDNZYJXYDAH-VQTJNVASSA-N 1 1 401.551 1.825 40 0 biogenic,in-vitro HDABMO COc1ccc(CN2CC3(C2)CN(C(=O)c2cccnc2)C[C@@H]2C[C@@H](O)C[N@H+]23)cc1 ZINC000514289827 560031469 /nfs/dbraw/zinc/03/14/69/560031469.db2.gz PBDREGGGGXFPCL-VQTJNVASSA-N 1 1 408.502 1.236 40 0 biogenic,in-vitro HDABMO COc1ccc(CN2CC3(C2)CN(C(=O)c2cccnc2)C[C@@H]2C[C@@H](O)C[N@@H+]23)cc1 ZINC000514289827 560031471 /nfs/dbraw/zinc/03/14/71/560031471.db2.gz PBDREGGGGXFPCL-VQTJNVASSA-N 1 1 408.502 1.236 40 0 biogenic,in-vitro HDABMO Cc1cccc2c1NC(=O)[C@]21[NH2+][C@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000105350897 560738270 /nfs/dbraw/zinc/73/82/70/560738270.db2.gz KIQXWIFEPXRZMZ-WQBXRSEUSA-N 1 1 423.444 1.436 40 0 HDABMO COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@H]([N@@H+]3CCCC[C@@H]3CCO)C2=O)c1 ZINC000105330637 560738278 /nfs/dbraw/zinc/73/82/78/560738278.db2.gz LKEDJYUFPRNTDL-WBVHZDCISA-N 1 1 418.446 1.129 40 0 HDABMO COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@H]([N@H+]3CCCC[C@@H]3CCO)C2=O)c1 ZINC000105330637 560738279 /nfs/dbraw/zinc/73/82/79/560738279.db2.gz LKEDJYUFPRNTDL-WBVHZDCISA-N 1 1 418.446 1.129 40 0 HDABMO COc1ccccc1[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CC[NH+](C)CC1 ZINC000019589950 560874542 /nfs/dbraw/zinc/87/45/42/560874542.db2.gz VDVPGBGURFZRQO-NRFANRHFSA-N 1 1 422.489 1.796 40 0 HDABMO CC(C)[C@H]([NH2+][C@H]1C=CS(=O)(=O)C1)C(=O)N1CCC[C@H](c2[nH]nc3ncccc32)C1 ZINC000057822695 568498090 /nfs/dbraw/zinc/49/80/90/568498090.db2.gz JFIMIYNSEVRIKM-ZOBUZTSGSA-N 1 1 417.535 1.589 40 0 HDABMO CC[C@@H](C(=O)NCCC[NH+]1CCOCC1)N(c1ccccc1F)S(C)(=O)=O ZINC000220599835 568507273 /nfs/dbraw/zinc/50/72/73/568507273.db2.gz NSPNROIDRWMOHH-INIZCTEOSA-N 1 1 401.504 1.209 40 0 HDABMO C[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)C1 ZINC000224683480 568592169 /nfs/dbraw/zinc/59/21/69/568592169.db2.gz GGAKVSMAALRZFG-GFCCVEGCSA-N 1 1 403.574 1.923 40 0 HDABMO C[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)C1 ZINC000224683480 568592171 /nfs/dbraw/zinc/59/21/71/568592171.db2.gz GGAKVSMAALRZFG-GFCCVEGCSA-N 1 1 403.574 1.923 40 0 HDABMO CN(c1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1)S(C)(=O)=O ZINC000224720718 568593651 /nfs/dbraw/zinc/59/36/51/568593651.db2.gz ILIXPBGLCQGANA-UHFFFAOYSA-N 1 1 417.531 1.845 40 0 HDABMO CN([C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1)S(C)(=O)=O ZINC000225608101 568656572 /nfs/dbraw/zinc/65/65/72/568656572.db2.gz PMMXSQCQULPQKL-HXUWFJFHSA-N 1 1 401.532 1.964 40 0 HDABMO CN1CCN(c2ncc3c(n2)[C@]2(CC[N@@H+](Cc4ccc(O)c(F)c4)C2)COC3)CC1 ZINC000248158936 568747850 /nfs/dbraw/zinc/74/78/50/568747850.db2.gz WPMXHHFZCAZWQY-QFIPXVFZSA-N 1 1 413.497 1.747 40 0 HDABMO Cn1ccc(NC(=O)CN2CC[N@@H+](Cc3ccccc3)C[C@H](Cc3cnccn3)C2)n1 ZINC000257279086 568798235 /nfs/dbraw/zinc/79/82/35/568798235.db2.gz OEZGDRVDDWPHES-FQEVSTJZSA-N 1 1 419.533 1.825 40 0 HDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC[C@@H]2O)CC1 ZINC000257281956 568799069 /nfs/dbraw/zinc/79/90/69/568799069.db2.gz ORRFHCANYURCBV-PMACEKPBSA-N 1 1 413.522 1.012 40 0 HDABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)c3cc4cc(Cl)ccc4[nH]3)[C@H]2O)CC1 ZINC000257298778 568804008 /nfs/dbraw/zinc/80/40/08/568804008.db2.gz RNGUBFZLGHTJMD-MISYRCLQSA-N 1 1 418.925 1.997 40 0 HDABMO COc1ccc(C[N@@H+](C)C[C@@]2(O)CCCN(C(=O)c3ccc(=O)[nH]n3)CC2)cc1 ZINC000257313011 568808127 /nfs/dbraw/zinc/80/81/27/568808127.db2.gz UQPPCIMOJROELV-OAQYLSRUSA-N 1 1 400.479 1.268 40 0 HDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)COc3ccc(Cl)c(C)c3)CC[C@@H]2O)CC1 ZINC000257326040 568812184 /nfs/dbraw/zinc/81/21/84/568812184.db2.gz WVNMBVNPRGOKJE-PMACEKPBSA-N 1 1 423.941 1.543 40 0 HDABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc3c(c2)nc(C)n3C)C1 ZINC000257340766 568816155 /nfs/dbraw/zinc/81/61/55/568816155.db2.gz ZHMMWOQQYQEKMG-HSZRJFAPSA-N 1 1 420.517 1.995 40 0 HDABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc3c(c2)nc(C)n3C)C1 ZINC000257340766 568816156 /nfs/dbraw/zinc/81/61/56/568816156.db2.gz ZHMMWOQQYQEKMG-HSZRJFAPSA-N 1 1 420.517 1.995 40 0 HDABMO O=C(C1CC1)N1CCC2(Cc3nc4c(c(=O)n3C2)C[N@H+](Cc2cccnc2)CC4)CC1 ZINC000306130806 568893244 /nfs/dbraw/zinc/89/32/44/568893244.db2.gz JPXAKAGXIFGCDC-UHFFFAOYSA-N 1 1 419.529 1.772 40 0 HDABMO O=C(C1CC1)N1CCC2(Cc3nc4c(c(=O)n3C2)C[N@@H+](Cc2cccnc2)CC4)CC1 ZINC000306130806 568893246 /nfs/dbraw/zinc/89/32/46/568893246.db2.gz JPXAKAGXIFGCDC-UHFFFAOYSA-N 1 1 419.529 1.772 40 0 HDABMO COc1ccc(C[N@H+]2C[C@@H]3Cn4c(nn(Cc5ccc(C)cc5)c(=O)c4=O)[C@@H]3C2)cc1 ZINC000306139968 568901834 /nfs/dbraw/zinc/90/18/34/568901834.db2.gz UFNYHSJPKOBJNO-TZIWHRDSSA-N 1 1 418.497 2.000 40 0 HDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CC[N@@H+](Cc3ccsc3)C2)cs1 ZINC000306143269 568904891 /nfs/dbraw/zinc/90/48/91/568904891.db2.gz XXMGHGWNKNKZKA-LJQANCHMSA-N 1 1 415.544 1.827 40 0 HDABMO C[C@@H]1Cc2cc([C@@H](O)C[NH+]3CCN(c4ncccn4)CC3)ccc2N1S(C)(=O)=O ZINC000019497877 569345507 /nfs/dbraw/zinc/34/55/07/569345507.db2.gz PETLRRZIMMTCQS-BEFAXECRSA-N 1 1 417.535 1.043 40 0 HDABMO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)n1 ZINC000019694735 569346626 /nfs/dbraw/zinc/34/66/26/569346626.db2.gz VZUFXNQCZDEWKW-GOSISDBHSA-N 1 1 422.533 1.720 40 0 HDABMO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3Cc4ccccc4C3)C2)C(=O)N1Cc1ccccc1 ZINC000225386558 291201549 /nfs/dbraw/zinc/20/15/49/291201549.db2.gz IIJTYZUMOKOFER-YADHBBJMSA-N 1 1 417.509 1.212 40 0 biogenic,in-vitro HDABMO COc1ccccc1N1CCN(C(=O)C[NH+]2CCC(O)(c3nccn3C)CC2)CC1 ZINC000012114527 537065002 /nfs/dbraw/zinc/06/50/02/537065002.db2.gz IEMHFXMKIYFJFR-UHFFFAOYSA-N 1 1 413.522 1.061 40 0 HDABMO CC[NH+]1CCN(C(=O)N[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000001447089 557266565 /nfs/dbraw/zinc/26/65/65/557266565.db2.gz GLZINICFUJEKJF-INIZCTEOSA-N 1 1 400.932 1.798 40 0 HDABMO C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCCC[NH+]1CCOCC1 ZINC000408587758 557491169 /nfs/dbraw/zinc/49/11/69/557491169.db2.gz CCKGSALONJRXSN-LBPRGKRZSA-N 1 1 424.350 1.499 40 0 HDABMO Cc1[nH+]ccn1CCC(=O)N[C@@H]1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000019749525 558269105 /nfs/dbraw/zinc/26/91/05/558269105.db2.gz LXHRXIHCOOTETE-LJQANCHMSA-N 1 1 418.519 1.406 40 0 HDABMO COc1ccc(C[N@H+](C)CC(=O)N2CCC(Cc3nn(C)cc3C(N)=O)CC2)cc1 ZINC000019756546 558274501 /nfs/dbraw/zinc/27/45/01/558274501.db2.gz NVQLRXICENZPBC-UHFFFAOYSA-N 1 1 413.522 1.441 40 0 HDABMO COc1ccc(C[N@@H+](C)CC(=O)N2CCC(Cc3nn(C)cc3C(N)=O)CC2)cc1 ZINC000019756546 558274503 /nfs/dbraw/zinc/27/45/03/558274503.db2.gz NVQLRXICENZPBC-UHFFFAOYSA-N 1 1 413.522 1.441 40 0 HDABMO C[NH+]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)C(C)(C)O)C3)nc3ccccc32)CC1 ZINC000019756897 558274535 /nfs/dbraw/zinc/27/45/35/558274535.db2.gz ZCCMKBZMVUROQV-MRXNPFEDSA-N 1 1 410.518 1.709 40 0 HDABMO Cc1nc(N)cc(CC2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)[nH+]1 ZINC000019758819 558275405 /nfs/dbraw/zinc/27/54/05/558275405.db2.gz FRYVUJLOMHLEHH-UHFFFAOYSA-N 1 1 404.492 1.782 40 0 HDABMO COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CC[NH+](C)CC1 ZINC000020083660 558331115 /nfs/dbraw/zinc/33/11/15/558331115.db2.gz OEWLUTRTBKOFAO-IBGZPJMESA-N 1 1 411.510 1.115 40 0 HDABMO COc1ccc2c(c1)c(C[N@H+]1CCCC[C@H]1CN1CCOCC1)cn2CC(N)=O ZINC000022863397 558517818 /nfs/dbraw/zinc/51/78/18/558517818.db2.gz MESHKEGKWYDJGY-SFHVURJKSA-N 1 1 400.523 1.822 40 0 HDABMO Cc1ccc(C)c(N(CCCC(=O)NCCC[NH+]2CCN(C)CC2)S(C)(=O)=O)c1 ZINC000022933880 558525410 /nfs/dbraw/zinc/52/54/10/558525410.db2.gz DPMMQIXROQTAEO-UHFFFAOYSA-N 1 1 424.611 1.603 40 0 HDABMO Cc1ccc(N([C@H](C)C(=O)NCCC[NH+]2CCN(C)CC2)S(C)(=O)=O)cc1C ZINC000022934983 558526079 /nfs/dbraw/zinc/52/60/79/558526079.db2.gz RWJKYKQZKUCHGH-GOSISDBHSA-N 1 1 410.584 1.212 40 0 HDABMO CC[C@H](C(=O)NCCC[NH+]1CCOCC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715908 558579034 /nfs/dbraw/zinc/57/90/34/558579034.db2.gz UCGWCSFCJIMJMV-QGZVFWFLSA-N 1 1 401.504 1.209 40 0 HDABMO C[NH+]1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000028617625 558702467 /nfs/dbraw/zinc/70/24/67/558702467.db2.gz JUYDWMQPLYMQQF-UHFFFAOYSA-N 1 1 405.495 1.791 40 0 HDABMO CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000038361670 558811278 /nfs/dbraw/zinc/81/12/78/558811278.db2.gz QFQCXEHOSWPGLR-UHFFFAOYSA-N 1 1 403.932 1.523 40 0 HDABMO CS(=O)(=O)N1C[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)Oc2ccccc21 ZINC000038850814 558818921 /nfs/dbraw/zinc/81/89/21/558818921.db2.gz QQKRPNOMGQRANK-HXUWFJFHSA-N 1 1 415.515 1.558 40 0 HDABMO CCn1c(=O)[nH]c2c1nc(C1CC[NH+](Cc3cccc(F)c3F)CC1)nc2C(N)=O ZINC000019524212 558905540 /nfs/dbraw/zinc/90/55/40/558905540.db2.gz RQPZZMOZMGIZRO-UHFFFAOYSA-N 1 1 416.432 1.896 40 0 HDABMO COCCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)C1CC1 ZINC000019593481 558944602 /nfs/dbraw/zinc/94/46/02/558944602.db2.gz ZDGWEHFJONOUFP-VAMGGRTRSA-N 1 1 403.498 1.615 40 0 HDABMO COCCNC(=O)C[N@H+]1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)C1CC1 ZINC000019593481 558944605 /nfs/dbraw/zinc/94/46/05/558944605.db2.gz ZDGWEHFJONOUFP-VAMGGRTRSA-N 1 1 403.498 1.615 40 0 HDABMO CC(=O)N1C[C@H](C(N)=O)[C@@H](c2ccc(C[N@H+](C)CC(=O)NC3CCCCC3)cc2)C1 ZINC000019699228 558966526 /nfs/dbraw/zinc/96/65/26/558966526.db2.gz RVPQUTOKKBDVOR-RTWAWAEBSA-N 1 1 414.550 1.615 40 0 HDABMO CC(=O)N1C[C@H](C(N)=O)[C@@H](c2ccc(C[N@@H+](C)CC(=O)NC3CCCCC3)cc2)C1 ZINC000019699228 558966528 /nfs/dbraw/zinc/96/65/28/558966528.db2.gz RVPQUTOKKBDVOR-RTWAWAEBSA-N 1 1 414.550 1.615 40 0 HDABMO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2nc3c(c(NC)n2)CN(C(C)=O)CC3)C1 ZINC000019710609 558972857 /nfs/dbraw/zinc/97/28/57/558972857.db2.gz WWBYVTYSBCXULB-INIZCTEOSA-N 1 1 402.543 1.471 40 0 HDABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2nc3c(c(NC)n2)CN(C(C)=O)CC3)C1 ZINC000019710609 558972858 /nfs/dbraw/zinc/97/28/58/558972858.db2.gz WWBYVTYSBCXULB-INIZCTEOSA-N 1 1 402.543 1.471 40 0 HDABMO C[N@@H+](C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccn1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585104825 559027282 /nfs/dbraw/zinc/02/72/82/559027282.db2.gz TZKNZMNIRDYOTE-FHWLQOOXSA-N 1 1 423.579 1.877 40 0 HDABMO O=C(C1CCOCC1)N1CCC2(C[N@@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000096036354 559090041 /nfs/dbraw/zinc/09/00/41/559090041.db2.gz HQALIXXUTLQAOO-HSZRJFAPSA-N 1 1 412.534 1.439 40 0 HDABMO Cn1cc(CN2C[C@@H]3C[N@@H+](CC4CC4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056197 559094095 /nfs/dbraw/zinc/09/40/95/559094095.db2.gz CQIYRYKDMQLEQS-UNMCSNQZSA-N 1 1 401.555 1.203 40 0 HDABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)CCC(=O)OC)CC3 ZINC000096143895 559096282 /nfs/dbraw/zinc/09/62/82/559096282.db2.gz YSZRDDGEIYYOOZ-FDDCHVKYSA-N 1 1 419.566 1.903 40 0 HDABMO CC(C)C[N@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC(=O)N(C)C)[C@H]2CC1 ZINC000096145843 559097551 /nfs/dbraw/zinc/09/75/51/559097551.db2.gz DAQWHENMHWUAFA-IRXDYDNUSA-N 1 1 409.552 1.647 40 0 HDABMO CCOC(=O)N1CCC([N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(F)c(C)c3)C2)CC1 ZINC000585282504 559120068 /nfs/dbraw/zinc/12/00/68/559120068.db2.gz LSFRCYSWANAFLD-FPOVZHCZSA-N 1 1 410.486 1.932 40 0 HDABMO CC(=O)N1CCC([N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)c(C)c3)C2)CC1 ZINC000585283653 559120841 /nfs/dbraw/zinc/12/08/41/559120841.db2.gz SVRMRCJUOVOWPC-HSZRJFAPSA-N 1 1 417.550 1.588 40 0 HDABMO CCOC(=O)N1CCC(O)(C[N@H+]2CCOC[C@](O)(COc3ccccc3C)C2)CC1 ZINC000585285965 559121739 /nfs/dbraw/zinc/12/17/39/559121739.db2.gz FZLGGLQTZXLQJJ-QFIPXVFZSA-N 1 1 422.522 1.421 40 0 HDABMO C[N@@H+](CCc1ccccn1)C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000585286088 559121882 /nfs/dbraw/zinc/12/18/82/559121882.db2.gz VJLDXBFFPOAJCP-FPOVZHCZSA-N 1 1 403.910 1.847 40 0 HDABMO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)[NH2+][C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000105352721 559162635 /nfs/dbraw/zinc/16/26/35/559162635.db2.gz OWTVRJFUUJRVCS-IOCXKGIVSA-N 1 1 405.882 1.548 40 0 HDABMO COCCN(C)C(=O)c1ccc2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCN3C)n2c1 ZINC000107189301 559164900 /nfs/dbraw/zinc/16/49/00/559164900.db2.gz CVPOKMAKHWKOMV-FQEVSTJZSA-N 1 1 422.533 1.936 40 0 HDABMO OCCOc1ccc(C[N@H+]2CC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257218816 559282862 /nfs/dbraw/zinc/28/28/62/559282862.db2.gz DEMZPXAGKFQLHD-XMMPIXPASA-N 1 1 411.546 1.817 40 0 HDABMO OCCOc1ccc(CN2CC[C@@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257218816 559282864 /nfs/dbraw/zinc/28/28/64/559282864.db2.gz DEMZPXAGKFQLHD-XMMPIXPASA-N 1 1 411.546 1.817 40 0 HDABMO NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000257261919 559284749 /nfs/dbraw/zinc/28/47/49/559284749.db2.gz LJILSAKZJHSVFI-IBGZPJMESA-N 1 1 424.501 1.458 40 0 HDABMO NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000257261919 559284750 /nfs/dbraw/zinc/28/47/50/559284750.db2.gz LJILSAKZJHSVFI-IBGZPJMESA-N 1 1 424.501 1.458 40 0 HDABMO CC[NH+]1CCN(C(=O)[C@H]2CC[C@H](CNC(=O)CNC(=O)c3ccccc3)CC2)CC1 ZINC000101446260 560728794 /nfs/dbraw/zinc/72/87/94/560728794.db2.gz PQLUAEQPHWFAQG-PUZFROQSSA-N 1 1 414.550 1.503 40 0 HDABMO Cc1ccc(N([C@H](C)C(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)cc1Cl ZINC000220366287 568505269 /nfs/dbraw/zinc/50/52/69/568505269.db2.gz SSAFSLHEBDWDHV-OAHLLOKOSA-N 1 1 417.959 1.641 40 0 HDABMO COc1ccc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)cc1OC ZINC000223125494 568538451 /nfs/dbraw/zinc/53/84/51/568538451.db2.gz GZKSOPGSFGEOEZ-UHFFFAOYSA-N 1 1 419.522 1.395 40 0 HDABMO CN(C)c1ncc2c(n1)[C@@]1(CC[N@@H+](Cc3cccc(N4CCOCC4)n3)C1)COC2 ZINC000248084405 568747273 /nfs/dbraw/zinc/74/72/73/568747273.db2.gz DJKUWCUNDOFKRR-JOCHJYFZSA-N 1 1 410.522 1.448 40 0 HDABMO Cc1cc(C(=O)N2CC[C@]3(C2)COCc2cnc(N4CC[NH+](C)CC4)nc23)c(C)o1 ZINC000248162499 568748062 /nfs/dbraw/zinc/74/80/62/568748062.db2.gz YHVZJRFISUORQM-QFIPXVFZSA-N 1 1 411.506 1.752 40 0 HDABMO C[C@@H]1CN(c2ncc3c(n2)[C@@]2(CC[N@@H+](Cc4cccnc4N)C2)COC3)C[C@H](C)O1 ZINC000253603059 568754990 /nfs/dbraw/zinc/75/49/90/568754990.db2.gz IOXVYOVSVKPCPV-ZMPRRUGASA-N 1 1 410.522 1.741 40 0 HDABMO Cn1ccnc1-c1cnc(C[C@H]2CC[N@H+](C3CCN(S(C)(=O)=O)CC3)C2)cn1 ZINC000257212306 568779720 /nfs/dbraw/zinc/77/97/20/568779720.db2.gz CCTKQJBCRJGGFQ-OAHLLOKOSA-N 1 1 404.540 1.166 40 0 HDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3cc(-c4ccccc4)no3)CC[C@@H]2O)CC1 ZINC000257324011 568811451 /nfs/dbraw/zinc/81/14/51/568811451.db2.gz WMUQNSYMTQBNPM-PMACEKPBSA-N 1 1 412.490 1.471 40 0 HDABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc3c(c2)nc(C)n3C)C1 ZINC000257340767 568816203 /nfs/dbraw/zinc/81/62/03/568816203.db2.gz ZHMMWOQQYQEKMG-QHCPKHFHSA-N 1 1 420.517 1.995 40 0 HDABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc3c(c2)nc(C)n3C)C1 ZINC000257340767 568816205 /nfs/dbraw/zinc/81/62/05/568816205.db2.gz ZHMMWOQQYQEKMG-QHCPKHFHSA-N 1 1 420.517 1.995 40 0 HDABMO Cn1cc(C[N@H+]2CCC[C@@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)cn1 ZINC000306125624 568888436 /nfs/dbraw/zinc/88/84/36/568888436.db2.gz CWDOJGQRPVHSNI-SIKLNZKXSA-N 1 1 409.538 1.455 40 0 HDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CC[N@@H+](Cc3cccnc3)C2)cs1 ZINC000306125970 568888637 /nfs/dbraw/zinc/88/86/37/568888637.db2.gz DHTBHYCCHHGEFC-FQEVSTJZSA-N 1 1 410.503 1.161 40 0 HDABMO O=C(NCc1cccnc1)[C@H]1C[N@@H+](CC2CC2)C[C@@]2(CCN(C(=O)C3CCC3)C2)O1 ZINC000306127493 568890215 /nfs/dbraw/zinc/89/02/15/568890215.db2.gz FZYHSISUSURUTN-NFBKMPQASA-N 1 1 412.534 1.580 40 0 HDABMO O=C(NCc1cccnc1)[C@@H]1C[N@@H+](CC2CC2)C[C@]2(CCN(C(=O)C3CCC3)C2)O1 ZINC000306127496 568890502 /nfs/dbraw/zinc/89/05/02/568890502.db2.gz FZYHSISUSURUTN-REWPJTCUSA-N 1 1 412.534 1.580 40 0 HDABMO COCCn1ccc(C(=O)N2CC3(C2)C[C@H](COCc2ccccn2)CC[N@@H+]3C)n1 ZINC000306131383 568893577 /nfs/dbraw/zinc/89/35/77/568893577.db2.gz KCWSDGPBZIGCOT-GOSISDBHSA-N 1 1 413.522 1.678 40 0 HDABMO COCCn1ccc(C(=O)N2CC3(C2)C[C@H](COCc2ccccn2)CC[N@H+]3C)n1 ZINC000306131383 568893579 /nfs/dbraw/zinc/89/35/79/568893579.db2.gz KCWSDGPBZIGCOT-GOSISDBHSA-N 1 1 413.522 1.678 40 0 HDABMO COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CC[N@@H+](Cc4cccnc4)C2)C3)cc1 ZINC000306134413 568896312 /nfs/dbraw/zinc/89/63/12/568896312.db2.gz NMSDVOJXSRGKQS-HSZRJFAPSA-N 1 1 419.485 1.305 40 0 HDABMO CCc1ccc(C[N@H+]2CC[C@@]3(CCn4c3nn(Cc3ccccn3)c(=O)c4=O)C2)cc1 ZINC000306138599 568900379 /nfs/dbraw/zinc/90/03/79/568900379.db2.gz SBNDDLQWGKWQDO-XMMPIXPASA-N 1 1 417.513 1.958 40 0 HDABMO COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CC[N@@H+](Cc4ccoc4)C2)C3)cc1 ZINC000306142301 568903958 /nfs/dbraw/zinc/90/39/58/568903958.db2.gz WVQPHKQFDMERMA-JOCHJYFZSA-N 1 1 408.458 1.503 40 0 HDABMO C[C@@H](CO)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(C2CC2)[nH+]1 ZINC000329071903 568976125 /nfs/dbraw/zinc/97/61/25/568976125.db2.gz ZTNDUTOTRBMZCB-LBPRGKRZSA-N 1 1 403.508 1.357 40 0 HDABMO C[C@@H](CO)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]c(C2CC2)n1 ZINC000329071903 568976126 /nfs/dbraw/zinc/97/61/26/568976126.db2.gz ZTNDUTOTRBMZCB-LBPRGKRZSA-N 1 1 403.508 1.357 40 0 HDABMO C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000008267452 569339907 /nfs/dbraw/zinc/33/99/07/569339907.db2.gz XNVAHCZMLBVJFK-QGZVFWFLSA-N 1 1 417.531 1.879 40 0 HDABMO CC[NH+]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000033693418 569351009 /nfs/dbraw/zinc/35/10/09/569351009.db2.gz DANQJRNIUYHNEK-GFCCVEGCSA-N 1 1 404.330 1.280 40 0 HDABMO C[NH+](C)CC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Cc2cccs2)C1 ZINC000005413326 291192857 /nfs/dbraw/zinc/19/28/57/291192857.db2.gz OILLVNMVTJFXDH-LSDHHAIUSA-N 1 1 414.531 1.598 40 0 biogenic,in-vitro HDABMO CN1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(NC(=O)c3cnccn3)c4=O)C2)CC1 ZINC000004259172 291193703 /nfs/dbraw/zinc/19/37/03/291193703.db2.gz FIAQQBSBRHGTQP-JKSUJKDBSA-N 1 1 408.506 1.404 40 0 biogenic,in-vitro HDABMO COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3C(C)C)[N@H+]2C)cc1 ZINC000035442418 291196509 /nfs/dbraw/zinc/19/65/09/291196509.db2.gz QBTJUOYHJSLNLF-DSKINZAPSA-N 1 1 402.539 1.373 40 0 biogenic,in-vitro HDABMO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCC(F)(F)CC3)C2)C(=O)N1Cc1cccnc1 ZINC000225382830 291201547 /nfs/dbraw/zinc/20/15/47/291201547.db2.gz PMMBYTDJARXKAB-SJORKVTESA-N 1 1 420.460 1.018 40 0 biogenic,in-vitro HDABMO CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000019590924 132468228 /nfs/dbraw/zinc/46/82/28/132468228.db2.gz OOXYTWGZVRXPKB-HXUWFJFHSA-N 1 1 422.489 1.096 40 0 HDABMO C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCC[NH+]1CCOCC1 ZINC000408594868 557512563 /nfs/dbraw/zinc/51/25/63/557512563.db2.gz QZDXBUWAUHBEPF-INIZCTEOSA-N 1 1 405.520 1.345 40 0 HDABMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000408708132 557735442 /nfs/dbraw/zinc/73/54/42/557735442.db2.gz HAADOWRKHUMPCM-UHFFFAOYSA-N 1 1 402.495 1.136 40 0 HDABMO Cc1ccc(Cn2c(=O)c3c(nc4n3[C@H](C)C(C)=[NH+]N4CCCO)n(C)c2=O)cc1 ZINC000010362063 557861680 /nfs/dbraw/zinc/86/16/80/557861680.db2.gz KGXDIJXQBAUMRA-OAHLLOKOSA-N 1 1 410.478 1.393 40 0 HDABMO Cc1ccc(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(C)(=O)=O)cc1Cl ZINC000022933870 558525489 /nfs/dbraw/zinc/52/54/89/558525489.db2.gz XNYACJVJVUTPAQ-UHFFFAOYSA-N 1 1 416.975 1.168 40 0 HDABMO CC[C@@H](C(=O)NCCC[NH+]1CCOCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712818 558577006 /nfs/dbraw/zinc/57/70/06/558577006.db2.gz RVESEBRMLGSSQV-KRWDZBQOSA-N 1 1 417.959 1.723 40 0 HDABMO CC[C@@]1(OC(=O)C[NH3+])c2cc3n(c(=O)c2COC1=O)Cc1cc2ccccc2nc1-3 ZINC000031793980 558752432 /nfs/dbraw/zinc/75/24/32/558752432.db2.gz JMZZXKLQQWGKQV-JOCHJYFZSA-N 1 1 405.410 1.589 40 0 in-vitro HDABMO COc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000039986631 558824066 /nfs/dbraw/zinc/82/40/66/558824066.db2.gz AIFDJKNPPYTTPM-UHFFFAOYSA-N 1 1 417.531 1.660 40 0 HDABMO O=C(C[N@@H+]1C[C@@H](c2cccnc2)[C@]2(C1)CCCC(=O)N2)NCCOc1ccccc1 ZINC000019373529 558880782 /nfs/dbraw/zinc/88/07/82/558880782.db2.gz FBLRNDIPAHIJDQ-NZQKXSOJSA-N 1 1 408.502 1.715 40 0 HDABMO O=C(C[N@H+]1C[C@@H](c2cccnc2)[C@]2(C1)CCCC(=O)N2)NCCOc1ccccc1 ZINC000019373529 558880785 /nfs/dbraw/zinc/88/07/85/558880785.db2.gz FBLRNDIPAHIJDQ-NZQKXSOJSA-N 1 1 408.502 1.715 40 0 HDABMO O=C(C[NH+]1CCC(O)(Cn2cnc3ccccc3c2=O)CC1)NCc1cccc(F)c1 ZINC000019375921 558882141 /nfs/dbraw/zinc/88/21/41/558882141.db2.gz ULFQHQCXEFSKJM-UHFFFAOYSA-N 1 1 424.476 1.679 40 0 HDABMO CC[NH+]1CCN(C2CCN(C(=O)Cc3c(C)c4c(C)[nH]nc4oc3=O)CC2)CC1 ZINC000019528130 558909126 /nfs/dbraw/zinc/90/91/26/558909126.db2.gz ZMKZFEACDVNEMV-UHFFFAOYSA-N 1 1 401.511 1.304 40 0 HDABMO CS(=O)(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019572364 558930422 /nfs/dbraw/zinc/93/04/22/558930422.db2.gz JTVMJKWWMBCHFW-CYBMUJFWSA-N 1 1 408.549 1.941 40 0 HDABMO COc1ccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)cc1OC ZINC000072334605 558935629 /nfs/dbraw/zinc/93/56/29/558935629.db2.gz VCVJLJMQMJPJSV-GWTOYCKXSA-N 1 1 400.479 1.890 40 0 HDABMO COc1ccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)cc1OC ZINC000072334605 558935633 /nfs/dbraw/zinc/93/56/33/558935633.db2.gz VCVJLJMQMJPJSV-GWTOYCKXSA-N 1 1 400.479 1.890 40 0 HDABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccc4nccnc24)C3)C[C@H](C)O1 ZINC000072347298 558944167 /nfs/dbraw/zinc/94/41/67/558944167.db2.gz JJVKGAIXXXFJMT-GASCZTMLSA-N 1 1 406.490 1.885 40 0 HDABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccc4nccnc24)C3)C[C@H](C)O1 ZINC000072347298 558944169 /nfs/dbraw/zinc/94/41/69/558944169.db2.gz JJVKGAIXXXFJMT-GASCZTMLSA-N 1 1 406.490 1.885 40 0 HDABMO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2CC1 ZINC000019595006 558945911 /nfs/dbraw/zinc/94/59/11/558945911.db2.gz LLVGEIPTOCYCDN-UHFFFAOYSA-N 1 1 414.506 1.997 40 0 HDABMO CNc1nc(C2CCN(C(=O)[C@H](C)N3CCCC3=O)CC2)nc2c1CC[N@H+](C)C2 ZINC000019710935 558973164 /nfs/dbraw/zinc/97/31/64/558973164.db2.gz HJEJEKRXIRZZCA-AWEZNQCLSA-N 1 1 400.527 1.223 40 0 HDABMO CNc1nc(C2CCN(C(=O)[C@H](C)N3CCCC3=O)CC2)nc2c1CC[N@@H+](C)C2 ZINC000019710935 558973167 /nfs/dbraw/zinc/97/31/67/558973167.db2.gz HJEJEKRXIRZZCA-AWEZNQCLSA-N 1 1 400.527 1.223 40 0 HDABMO O=S(=O)(Cc1ccccc1)N1CCC2(CO[C@H](C[N@@H+]3CCC[C@H](O)C3)C2)CC1 ZINC000585103777 559025765 /nfs/dbraw/zinc/02/57/65/559025765.db2.gz JOCFOMNJFNQLIN-PMACEKPBSA-N 1 1 408.564 1.844 40 0 HDABMO C[N@H+](Cc1cccnc1)C[C@@H]1Cn2ccnc2CN(C(=O)CCc2cncnc2)C1 ZINC000585110693 559031466 /nfs/dbraw/zinc/03/14/66/559031466.db2.gz SGWHDSLJVSGARG-HXUWFJFHSA-N 1 1 405.506 1.791 40 0 HDABMO Cc1ccc(N2CC[N@H+](CC3CC3)C3(CCN(C(=O)[C@H]4CCCO4)CC3)C2=O)cn1 ZINC000096077220 559094715 /nfs/dbraw/zinc/09/47/15/559094715.db2.gz LSRPVPAAOFYDJL-HXUWFJFHSA-N 1 1 412.534 1.989 40 0 HDABMO Cc1ccc(N2CC[N@@H+](CC3CC3)C3(CCN(C(=O)[C@H]4CCCO4)CC3)C2=O)cn1 ZINC000096077220 559094717 /nfs/dbraw/zinc/09/47/17/559094717.db2.gz LSRPVPAAOFYDJL-HXUWFJFHSA-N 1 1 412.534 1.989 40 0 HDABMO COCC[N@H+]1C[C@@H]2C(=O)N(C)C3(CCN(C(=O)NCCc4ccccc4)CC3)[C@@H]2C1 ZINC000096143541 559096029 /nfs/dbraw/zinc/09/60/29/559096029.db2.gz VDBXTKHXLLIEOR-VQTJNVASSA-N 1 1 414.550 1.440 40 0 HDABMO C[N@@H+](CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1ccc(F)cc1 ZINC000585262397 559110921 /nfs/dbraw/zinc/11/09/21/559110921.db2.gz MWDHZNFOKKAMLZ-ZRNYENFQSA-N 1 1 406.429 1.568 40 0 HDABMO O=C(C[NH+]1CCC2(CC1)NC(=O)c1cc(Br)ccc1N2)N1CCOCC1 ZINC000013566787 560813776 /nfs/dbraw/zinc/81/37/76/560813776.db2.gz BYUHNADUHHMIDY-UHFFFAOYSA-N 1 1 423.311 1.255 40 0 HDABMO COc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](C)CC2)cc1OC ZINC000019589844 560874800 /nfs/dbraw/zinc/87/48/00/560874800.db2.gz JGFALOZXRRBWSF-APWZRJJASA-N 1 1 402.499 1.206 40 0 HDABMO Cc1cccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](C)CC3)c(=O)[nH]c12 ZINC000019826369 560876006 /nfs/dbraw/zinc/87/60/06/560876006.db2.gz HIQDDHGPEOKZTG-XLIONFOSSA-N 1 1 423.521 1.339 40 0 HDABMO CCS(=O)(=O)N1CCC(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000224750892 568595083 /nfs/dbraw/zinc/59/50/83/568595083.db2.gz YQQLFYDKQFANQV-UHFFFAOYSA-N 1 1 409.552 1.197 40 0 HDABMO COC(=O)C1=C(C[NH2+]CCN2CCOCC2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000020518264 568625811 /nfs/dbraw/zinc/62/58/11/568625811.db2.gz RWYNAKYGBYMEGR-LJQANCHMSA-N 1 1 402.495 1.006 40 0 HDABMO CN(C)c1ncc2c(n1)[C@]1(CC[N@@H+](Cc3cccc(N4CCOCC4)n3)C1)COC2 ZINC000248084410 568747209 /nfs/dbraw/zinc/74/72/09/568747209.db2.gz DJKUWCUNDOFKRR-QFIPXVFZSA-N 1 1 410.522 1.448 40 0 HDABMO Cn1c(CCC(=O)N[C@@H]2CC[C@@H]([NH+]3CCOCC3)[C@@H]2O)nc2cc(Cl)ccc21 ZINC000257277102 568797596 /nfs/dbraw/zinc/79/75/96/568797596.db2.gz NWKCRDULKKHFCW-WIBUTAKZSA-N 1 1 406.914 1.500 40 0 HDABMO CN(C(=O)CCc1nc2cc(Cl)ccc2n1C)[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257277219 568797821 /nfs/dbraw/zinc/79/78/21/568797821.db2.gz NWXSDOWCLHSYOD-DBXWQHBBSA-N 1 1 420.941 1.842 40 0 HDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)COc3c(C)cccc3C)CC[C@@H]2O)CC1 ZINC000257301384 568804830 /nfs/dbraw/zinc/80/48/30/568804830.db2.gz RYGXLMURSLZHQF-PMACEKPBSA-N 1 1 403.523 1.198 40 0 HDABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(NC(C)=O)cc2)C1 ZINC000257329672 568813004 /nfs/dbraw/zinc/81/30/04/568813004.db2.gz XKYXBAZIAICQHU-JOCHJYFZSA-N 1 1 409.490 1.758 40 0 HDABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(NC(C)=O)cc2)C1 ZINC000257329672 568813005 /nfs/dbraw/zinc/81/30/05/568813005.db2.gz XKYXBAZIAICQHU-JOCHJYFZSA-N 1 1 409.490 1.758 40 0 HDABMO COc1ncccc1C[N@H+]1CC[C@@]2(Cc3nn(Cc4ccccc4)c(=O)c(=O)n3C2)C1 ZINC000306123703 568886772 /nfs/dbraw/zinc/88/67/72/568886772.db2.gz AUDRJOYFWGFYND-HSZRJFAPSA-N 1 1 419.485 1.305 40 0 HDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CC[N@@H+](Cc4ccsc4)C2)C3)cs1 ZINC000306130383 568892648 /nfs/dbraw/zinc/89/26/48/568892648.db2.gz JEOJRSYOIBADAE-IBGZPJMESA-N 1 1 415.544 1.728 40 0 HDABMO C[N@H+]1C[C@H](C(=O)NCc2cccs2)OC2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000306130498 568892864 /nfs/dbraw/zinc/89/28/64/568892864.db2.gz JIIYCXLTKMWWJR-QGZVFWFLSA-N 1 1 403.504 1.963 40 0 HDABMO O=c1c(=O)n(C2CCCC2)nc2n1C[C@]1(CC[N@H+](Cc3cccc(F)c3)C1)OC2 ZINC000306133476 568895730 /nfs/dbraw/zinc/89/57/30/568895730.db2.gz MMRKOQDZQRCGFE-OAQYLSRUSA-N 1 1 400.454 1.834 40 0 HDABMO COCCN1CCO[C@@]2(C[N@@H+](Cc3sccc3C)C[C@@H]2c2ccnn2C)C1=O ZINC000306134424 568896216 /nfs/dbraw/zinc/89/62/16/568896216.db2.gz NMVGAWQSQUNGIY-OXQOHEQNSA-N 1 1 404.536 1.633 40 0 HDABMO COCCN1CCO[C@@]2(C[N@@H+](Cc3sccc3C)C[C@H]2c2ccnn2C)C1=O ZINC000306134423 568896251 /nfs/dbraw/zinc/89/62/51/568896251.db2.gz NMVGAWQSQUNGIY-OXJNMPFZSA-N 1 1 404.536 1.633 40 0 HDABMO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@]1(CC[N@@H+](Cc3ccncc3)C1)C2 ZINC000306140961 568902877 /nfs/dbraw/zinc/90/28/77/568902877.db2.gz VHSBKBNPLJEITN-JOCHJYFZSA-N 1 1 407.449 1.436 40 0 HDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CC[N@@H+](Cc3ccccn3)C2)cs1 ZINC000306142140 568903704 /nfs/dbraw/zinc/90/37/04/568903704.db2.gz WQXQNYHHOGPSNE-FQEVSTJZSA-N 1 1 410.503 1.161 40 0 HDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CC[N@@H+](Cc3ccccn3)C2)cs1 ZINC000306142141 568903769 /nfs/dbraw/zinc/90/37/69/568903769.db2.gz WQXQNYHHOGPSNE-HXUWFJFHSA-N 1 1 410.503 1.161 40 0 HDABMO COCC[N@H+]1CCc2nc3n(c(=O)c2C1)[C@@]1(CC3)CCN(Cc2nccs2)C1 ZINC000306143233 568904810 /nfs/dbraw/zinc/90/48/10/568904810.db2.gz XWXFBYGZUXWXDN-FQEVSTJZSA-N 1 1 401.536 1.252 40 0 HDABMO 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CN(C(=O)c1cc(-c2ccc(F)cc2)n[nH]1)[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257290511 568801629 /nfs/dbraw/zinc/80/16/29/568801629.db2.gz QDGAOWXHHZXOLV-VAMGGRTRSA-N 1 1 402.470 1.902 40 0 HDABMO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)CCc2ccc3c(c2)n(C)c(=O)n3C)[C@H]1O ZINC000257295755 568803176 /nfs/dbraw/zinc/80/31/76/568803176.db2.gz QZRYGHUCCAWEPF-HGHGUNKESA-N 1 1 411.506 1.585 40 0 HDABMO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1cc(C)ccc1OC ZINC000257308155 568806898 /nfs/dbraw/zinc/80/68/98/568806898.db2.gz TVQNZXPVOXDPOX-FQEVSTJZSA-N 1 1 410.518 1.875 40 0 HDABMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1cc(C)ccc1OC ZINC000257308155 568806901 /nfs/dbraw/zinc/80/69/01/568806901.db2.gz TVQNZXPVOXDPOX-FQEVSTJZSA-N 1 1 410.518 1.875 40 0 HDABMO CCOCC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257328150 568812679 /nfs/dbraw/zinc/81/26/79/568812679.db2.gz XEJKMMOIWCHCCO-ICSRJNTNSA-N 1 1 403.523 1.483 40 0 HDABMO COCCn1ccc(C(=O)N2CC3(C2)C[C@@H](COCc2cccnc2)CC[N@@H+]3C)n1 ZINC000306131021 568893348 /nfs/dbraw/zinc/89/33/48/568893348.db2.gz JUWNYPPCHNMTTH-SFHVURJKSA-N 1 1 413.522 1.678 40 0 HDABMO COCCn1ccc(C(=O)N2CC3(C2)C[C@@H](COCc2cccnc2)CC[N@H+]3C)n1 ZINC000306131021 568893351 /nfs/dbraw/zinc/89/33/51/568893351.db2.gz JUWNYPPCHNMTTH-SFHVURJKSA-N 1 1 413.522 1.678 40 0 HDABMO COc1ncccc1C[N@@H+]1CC[C@]2(C1)Cn1c(nn(C3CCCC3)c(=O)c1=O)CO2 ZINC000306133278 568895317 /nfs/dbraw/zinc/89/53/17/568895317.db2.gz MHFUBCOMKBLJFC-NRFANRHFSA-N 1 1 413.478 1.099 40 0 HDABMO COc1ncccc1C[N@H+]1CC[C@]2(C1)Cn1c(nn(C3CCCC3)c(=O)c1=O)CO2 ZINC000306133278 568895319 /nfs/dbraw/zinc/89/53/19/568895319.db2.gz MHFUBCOMKBLJFC-NRFANRHFSA-N 1 1 413.478 1.099 40 0 HDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CC[N@H+](Cc3nccs3)C2)cs1 ZINC000306135853 568897627 /nfs/dbraw/zinc/89/76/27/568897627.db2.gz PCTFNLGWQLONCW-SFHVURJKSA-N 1 1 416.532 1.222 40 0 HDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CC[N@@H+](Cc3nccs3)C2)cs1 ZINC000306135853 568897628 /nfs/dbraw/zinc/89/76/28/568897628.db2.gz PCTFNLGWQLONCW-SFHVURJKSA-N 1 1 416.532 1.222 40 0 HDABMO CC(C)NC(=O)N1CC[C@@]2(CCn3c2nc2c(c3=O)C[N@H+](Cc3ccoc3)CC2)C1 ZINC000306137583 568899650 /nfs/dbraw/zinc/89/96/50/568899650.db2.gz RAOAXEBCZRGUGB-JOCHJYFZSA-N 1 1 411.506 1.860 40 0 HDABMO CC(C)NC(=O)N1CC[C@@]2(CCn3c2nc2c(c3=O)C[N@@H+](Cc3ccoc3)CC2)C1 ZINC000306137583 568899652 /nfs/dbraw/zinc/89/96/52/568899652.db2.gz RAOAXEBCZRGUGB-JOCHJYFZSA-N 1 1 411.506 1.860 40 0 HDABMO COc1ccc(C[N@H+]2C[C@H]3Cn4c(nn(Cc5ccc(C)cc5)c(=O)c4=O)[C@@H]3C2)cc1 ZINC000306139967 568901780 /nfs/dbraw/zinc/90/17/80/568901780.db2.gz UFNYHSJPKOBJNO-PZJWPPBQSA-N 1 1 418.497 2.000 40 0 HDABMO COc1cccc(C[N@H+]2CC[C@@]3(C2)Cn2c(nn(C4CCCC4)c(=O)c2=O)CO3)c1 ZINC000306141261 568902870 /nfs/dbraw/zinc/90/28/70/568902870.db2.gz VQEYLVOHKZGDAR-JOCHJYFZSA-N 1 1 412.490 1.704 40 0 HDABMO CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@@H]2[C@@H](C)O)C(=O)Nc2c1cc(C)cc2Cl ZINC000102705485 569041234 /nfs/dbraw/zinc/04/12/34/569041234.db2.gz MHUDSBSAPUUZHC-KZRYKDHPSA-N 1 1 405.882 1.548 40 0 HDABMO CN(C)c1cc(C[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CC[N@H+](C)C2)ncn1 ZINC000248012079 569316023 /nfs/dbraw/zinc/31/60/23/569316023.db2.gz CEFVJDGENVBBHP-HNNXBMFYSA-N 1 1 407.515 1.477 40 0 HDABMO CN(C)c1cc(C[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CC[N@@H+](C)C2)ncn1 ZINC000248012079 569316024 /nfs/dbraw/zinc/31/60/24/569316024.db2.gz CEFVJDGENVBBHP-HNNXBMFYSA-N 1 1 407.515 1.477 40 0 HDABMO CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@@H]2[C@@H](C)O)C(=O)Nc2c1cc(C)cc2Cl ZINC000009042769 569391292 /nfs/dbraw/zinc/39/12/92/569391292.db2.gz MHUDSBSAPUUZHC-ACCAGVGUSA-N 1 1 405.882 1.548 40 0 HDABMO COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](CC(C)(C)C)C3)C2=O)cc1 ZINC000225388344 291196525 /nfs/dbraw/zinc/19/65/25/291196525.db2.gz QUPLMDHMXUMDPJ-AEFFLSMTSA-N 1 1 401.507 1.100 40 0 biogenic,in-vitro HDABMO COc1ccc(C)cc1N(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000019913212 523817501 /nfs/dbraw/zinc/81/75/01/523817501.db2.gz IGGVUIREKGAZKL-UHFFFAOYSA-N 1 1 417.531 1.973 40 0 HDABMO CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000408594285 557512120 /nfs/dbraw/zinc/51/21/20/557512120.db2.gz OHSGQFBOYTXXCU-UHFFFAOYSA-N 1 1 411.568 1.535 40 0 HDABMO CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](CC)CC2)cc1Cl ZINC000408627072 557559983 /nfs/dbraw/zinc/55/99/83/557559983.db2.gz XUVJSERIXYTPOG-ZDUSSCGKSA-N 1 1 403.932 1.570 40 0 HDABMO O=C(CN1C(=O)COc2ccccc21)N(CCC[NH+]1CCOCC1)Cc1cccnc1 ZINC000035313822 557689395 /nfs/dbraw/zinc/68/93/95/557689395.db2.gz ZHOCLNCNRCINRL-UHFFFAOYSA-N 1 1 424.501 1.558 40 0 HDABMO c1coc([C@H]2NC3=NCN(CCC[NH+]4CCOCC4)CN3c3nc4ccccc4n32)c1 ZINC000020638719 558396936 /nfs/dbraw/zinc/39/69/36/558396936.db2.gz ISSQMIBFGICQOK-FQEVSTJZSA-N 1 1 421.505 1.895 40 0 HDABMO CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000036740582 558801815 /nfs/dbraw/zinc/80/18/15/558801815.db2.gz QLTKKQPPIIXFGW-MGPUTAFESA-N 1 1 422.489 1.096 40 0 HDABMO CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000036740582 558801817 /nfs/dbraw/zinc/80/18/17/558801817.db2.gz QLTKKQPPIIXFGW-MGPUTAFESA-N 1 1 422.489 1.096 40 0 HDABMO O=C(C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1)NCCCc1nc2cc(F)ccc2[nH]1 ZINC000019346125 558873397 /nfs/dbraw/zinc/87/33/97/558873397.db2.gz GWPQJVRPMOODOZ-GOSISDBHSA-N 1 1 401.486 1.884 40 0 HDABMO COc1ncc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)cn1 ZINC000019448194 558887046 /nfs/dbraw/zinc/88/70/46/558887046.db2.gz DXZGIZNCDAZNTI-KRWDZBQOSA-N 1 1 412.494 1.702 40 0 HDABMO CC[NH+]1CCN(C(=O)CN2CC3(CCOCC3)Oc3ccc(C)cc3C2=O)CC1 ZINC000019527856 558909153 /nfs/dbraw/zinc/90/91/53/558909153.db2.gz IMERLUJWSLKSNC-UHFFFAOYSA-N 1 1 401.507 1.543 40 0 HDABMO CCOC(=O)Cn1c(=O)sc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CCO)c1Cl ZINC000019530556 558911500 /nfs/dbraw/zinc/91/15/00/558911500.db2.gz JNGRLICJVQRHND-STQMWFEESA-N 1 1 403.932 1.157 40 0 HDABMO COc1cc(C[N@H+]2C[C@H](CO)[C@@]3(C2)Cc2ccccc2C(=O)N3)cc(OC)c1OC ZINC000019549902 558914611 /nfs/dbraw/zinc/91/46/11/558914611.db2.gz BBHAUQNLAJWFFK-HXOBKFHXSA-N 1 1 412.486 1.861 40 0 HDABMO COc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)cc1OC ZINC000019561171 558921942 /nfs/dbraw/zinc/92/19/42/558921942.db2.gz KYDDOSGVYLWJRG-UHFFFAOYSA-N 1 1 400.479 1.637 40 0 HDABMO C[C@H]1CN(c2nccc([C@@H]3C[N@@H+](Cc4ccco4)C[C@H]3C(=O)N(C)C)n2)C[C@H](C)O1 ZINC000072330537 558934735 /nfs/dbraw/zinc/93/47/35/558934735.db2.gz YQCSGSRTUREASW-RNIPGJKVSA-N 1 1 413.522 1.987 40 0 HDABMO O=C(NCC(F)(F)F)[C@H]1C[N@H+](Cc2cccc(OCCO)c2)CC12CCOCC2 ZINC000585101862 559024958 /nfs/dbraw/zinc/02/49/58/559024958.db2.gz HEBHKLAODXSHPX-QGZVFWFLSA-N 1 1 416.440 1.965 40 0 HDABMO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(c2nc(OC)cc(OC)n2)CC1 ZINC000585106025 559028251 /nfs/dbraw/zinc/02/82/51/559028251.db2.gz FSYLIQOKTUJEHL-XHSDSOJGSA-N 1 1 403.527 1.557 40 0 HDABMO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000585106107 559028442 /nfs/dbraw/zinc/02/84/42/559028442.db2.gz MSQOIQDEMYAJOI-UHOSZYNNSA-N 1 1 405.564 1.934 40 0 HDABMO Cc1cc(C(=O)N2CCC3(CC2)[C@@H]2C[N@H+](Cc4cccnc4)C[C@@H]2C(=O)N3C)no1 ZINC000096143582 559096034 /nfs/dbraw/zinc/09/60/34/559096034.db2.gz SQQNFNUEKXQIJC-ZWKOTPCHSA-N 1 1 409.490 1.573 40 0 HDABMO COCC[N@H+]1CC2(CCN(C(=O)c3ccccc3F)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096144247 559096508 /nfs/dbraw/zinc/09/65/08/559096508.db2.gz MYKLYQPXKQOACA-QFIPXVFZSA-N 1 1 403.498 1.859 40 0 HDABMO Cc1cc(C)n(CCOc2ccc(C[N@H+]3C[C@H](O)[C@@H](N4CCN(C)CC4)C3)cc2)n1 ZINC000585270402 559116287 /nfs/dbraw/zinc/11/62/87/559116287.db2.gz JAYPBXRTNSNWAT-GOTSBHOMSA-N 1 1 413.566 1.371 40 0 HDABMO CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C1 ZINC000585282775 559120155 /nfs/dbraw/zinc/12/01/55/559120155.db2.gz HUJFHSMKYAVETK-IRFCIJBXSA-N 1 1 423.579 1.015 40 0 HDABMO Cn1cc(C[N@H+]2[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2Cc2ccccc2)c(-c2ccc(F)cc2)n1 ZINC000585295400 559142147 /nfs/dbraw/zinc/14/21/47/559142147.db2.gz YDXJZDGTSRHEJR-PABCKOPISA-N 1 1 411.477 1.736 40 0 HDABMO Cc1cc(N2CC[C@](O)(C[N@@H+](C)Cc3cccc(CN4CCOCC4)c3)C2)ncn1 ZINC000257232354 559283920 /nfs/dbraw/zinc/28/39/20/559283920.db2.gz GKNNKBGRCXJCBR-QHCPKHFHSA-N 1 1 411.550 1.690 40 0 HDABMO COc1ccccc1CN1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@@H]1C[C@@H](O)C[N@H+]12 ZINC000514290216 560030409 /nfs/dbraw/zinc/03/04/09/560030409.db2.gz VECUGYSQQIOUHZ-FCHUYYIVSA-N 1 1 421.541 1.770 40 0 biogenic,in-vitro HDABMO COc1ccccc1CN1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@@H]1C[C@@H](O)C[N@@H+]12 ZINC000514290216 560030411 /nfs/dbraw/zinc/03/04/11/560030411.db2.gz VECUGYSQQIOUHZ-FCHUYYIVSA-N 1 1 421.541 1.770 40 0 biogenic,in-vitro HDABMO O=C(Cc1ccccc1)N1CC2(C1)C[N@H+](CCc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514288947 560033613 /nfs/dbraw/zinc/03/36/13/560033613.db2.gz HDRMIXHKFHUVAA-XZOQPEGZSA-N 1 1 405.542 1.804 40 0 biogenic,in-vitro HDABMO NC(=O)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000103522062 560734155 /nfs/dbraw/zinc/73/41/55/560734155.db2.gz JVZUSCMGSSZAOS-CTRXZIQJSA-N 1 1 424.844 1.140 40 0 HDABMO Cc1cc(=O)n2c(n1)NC(N1CCN(c3ncccn3)CC1)=[NH+][C@H]2[C@H]1CC=CCC1 ZINC000009289556 560757834 /nfs/dbraw/zinc/75/78/34/560757834.db2.gz JXQUFCSSIBBSGG-FUHWJXTLSA-N 1 1 406.494 1.800 40 0 HDABMO Cc1cccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](C)CC3)c(=O)[nH]c12 ZINC000019826360 560875992 /nfs/dbraw/zinc/87/59/92/560875992.db2.gz HIQDDHGPEOKZTG-FXAWDEMLSA-N 1 1 423.521 1.339 40 0 HDABMO COC(=O)C1=C(C[NH2+]CCN2CCOCC2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000020518266 568625759 /nfs/dbraw/zinc/62/57/59/568625759.db2.gz RWYNAKYGBYMEGR-IBGZPJMESA-N 1 1 402.495 1.006 40 0 HDABMO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3[nH]nc4ccccc43)CC2)CC1 ZINC000257206252 568777939 /nfs/dbraw/zinc/77/79/39/568777939.db2.gz BCPJZBOXSJOOLJ-QFIPXVFZSA-N 1 1 413.522 1.521 40 0 HDABMO COc1cc(Br)cc(C(=O)N[C@@H]2CC[C@@H]([NH+]3CCOCC3)[C@@H]2O)c1O ZINC000257236290 568786466 /nfs/dbraw/zinc/78/64/66/568786466.db2.gz HBNAARFASJQRFE-XJKCOSOUSA-N 1 1 415.284 1.117 40 0 HDABMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(C[C@@H]3CCN(C(=O)C4CC4)C3)n2)n[nH]1 ZINC000257256025 568791937 /nfs/dbraw/zinc/79/19/37/568791937.db2.gz KJUCJLIVDDTYIZ-INIZCTEOSA-N 1 1 424.553 1.805 40 0 HDABMO Cc1nc2ccc(CCC(=O)N3CCC[C@@](O)(C[NH+]4CCN(C)CC4)CC3)cc2[nH]1 ZINC000257296639 568803368 /nfs/dbraw/zinc/80/33/68/568803368.db2.gz RDRQJVVFTOMZFF-QHCPKHFHSA-N 1 1 413.566 1.795 40 0 HDABMO Cc1nonc1CNC(=O)[C@@]1(C)CCCN(C(=O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000257299524 568804266 /nfs/dbraw/zinc/80/42/66/568804266.db2.gz RQKPRXJJXAKCAF-QFIPXVFZSA-N 1 1 411.506 1.681 40 0 HDABMO Cc1nonc1CNC(=O)[C@@]1(C)CCCN(C(=O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000257299524 568804267 /nfs/dbraw/zinc/80/42/67/568804267.db2.gz RQKPRXJJXAKCAF-QFIPXVFZSA-N 1 1 411.506 1.681 40 0 HDABMO CN(C(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257333905 568814161 /nfs/dbraw/zinc/81/41/61/568814161.db2.gz YDQDXWAKCFTUIA-BZUAXINKSA-N 1 1 412.412 1.878 40 0 HDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CC[N@@H+](Cc3ccncc3)C2)cs1 ZINC000306123149 568886433 /nfs/dbraw/zinc/88/64/33/568886433.db2.gz AFQRUSFZWCVUEU-HXUWFJFHSA-N 1 1 410.503 1.161 40 0 HDABMO Cc1cccc(C[N@H+]2CC[C@@]3(CCn4c3nn(Cc3ccccn3)c(=O)c4=O)C2)c1 ZINC000306123853 568886999 /nfs/dbraw/zinc/88/69/99/568886999.db2.gz AYLSXXFZSUCYJS-HSZRJFAPSA-N 1 1 403.486 1.704 40 0 HDABMO Cc1cccc(C[N@H+]2CC[C@]3(CCn4c3nn(Cc3ccccn3)c(=O)c4=O)C2)n1 ZINC000306126869 568889679 /nfs/dbraw/zinc/88/96/79/568889679.db2.gz FHLJYXITHMKEBY-QFIPXVFZSA-N 1 1 404.474 1.099 40 0 HDABMO CN(Cc1ccccc1)C(=O)[C@H]1CN(C)CC2(CC[NH+](Cc3cnn(C)c3)CC2)O1 ZINC000306132748 568894783 /nfs/dbraw/zinc/89/47/83/568894783.db2.gz LQYUYDIQSIOZRK-OAQYLSRUSA-N 1 1 411.550 1.744 40 0 HDABMO COc1ncccc1C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@H]2C1 ZINC000306135561 568897510 /nfs/dbraw/zinc/89/75/10/568897510.db2.gz OURQWSPWHVWCNV-RBUKOAKNSA-N 1 1 418.501 1.916 40 0 HDABMO COc1cc(N2CC[C@]3(C2)C[N@H+](C)C[C@H](C(=O)N(C)Cc2ccccc2)O3)ncn1 ZINC000306135625 568897538 /nfs/dbraw/zinc/89/75/38/568897538.db2.gz OWEQDFLVXQLXFM-XMSQKQJNSA-N 1 1 411.506 1.423 40 0 HDABMO COc1cc(N2CC[C@]3(C2)C[N@@H+](C)C[C@H](C(=O)N(C)Cc2ccccc2)O3)ncn1 ZINC000306135625 568897540 /nfs/dbraw/zinc/89/75/40/568897540.db2.gz OWEQDFLVXQLXFM-XMSQKQJNSA-N 1 1 411.506 1.423 40 0 HDABMO O=c1c(=O)n(C2CCCC2)nc2n1C[C@]1(CC[N@H+](Cc3ccc(F)cc3)C1)OC2 ZINC000306138590 568900296 /nfs/dbraw/zinc/90/02/96/568900296.db2.gz SBDONEGEIIUEKD-OAQYLSRUSA-N 1 1 400.454 1.834 40 0 HDABMO COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CC[N@@H+](Cc4ccccn4)C2)C3)cc1 ZINC000306139797 568901504 /nfs/dbraw/zinc/90/15/04/568901504.db2.gz UAWKPKDPYUKJJR-HSZRJFAPSA-N 1 1 419.485 1.305 40 0 HDABMO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@@]1(CC[N@@H+](Cc3ccncc3)C1)C2 ZINC000306140962 568902772 /nfs/dbraw/zinc/90/27/72/568902772.db2.gz VHSBKBNPLJEITN-QFIPXVFZSA-N 1 1 407.449 1.436 40 0 HDABMO C[C@H]1Cc2cc([C@@H](O)C[NH+]3CCN(c4ncccn4)CC3)ccc2N1S(C)(=O)=O ZINC000019497878 569345555 /nfs/dbraw/zinc/34/55/55/569345555.db2.gz PETLRRZIMMTCQS-KXBFYZLASA-N 1 1 417.535 1.043 40 0 HDABMO O=C(Nc1ccccc1)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCCCC3)[N@H+]2C1 ZINC000015708533 291200623 /nfs/dbraw/zinc/20/06/23/291200623.db2.gz QCJUGTMWUURLJW-OTWHNJEPSA-N 1 1 413.522 1.542 40 0 biogenic,in-vitro HDABMO O=C(Nc1ccccc1)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCCCC3)[N@@H+]2C1 ZINC000015708533 291200625 /nfs/dbraw/zinc/20/06/25/291200625.db2.gz QCJUGTMWUURLJW-OTWHNJEPSA-N 1 1 413.522 1.542 40 0 biogenic,in-vitro HDABMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(=O)n(CC(=O)NCc2ccc(F)cc2)c1 ZINC000019750884 558270788 /nfs/dbraw/zinc/27/07/88/558270788.db2.gz CPJPVQNREVNYGS-LJQANCHMSA-N 1 1 414.481 1.518 40 0 HDABMO C[NH+]1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)CC1 ZINC000016189064 558777017 /nfs/dbraw/zinc/77/70/17/558777017.db2.gz GWYRNPOMECRMRP-UHFFFAOYSA-N 1 1 401.532 1.694 40 0 HDABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000038773223 558815580 /nfs/dbraw/zinc/81/55/80/558815580.db2.gz OWKXPMXAQJAVHB-UHFFFAOYSA-N 1 1 410.455 1.642 40 0 HDABMO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)s1 ZINC000019217217 558850614 /nfs/dbraw/zinc/85/06/14/558850614.db2.gz MWZHKYIZNTYVIZ-MRXNPFEDSA-N 1 1 408.549 1.795 40 0 HDABMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)s1 ZINC000019217217 558850617 /nfs/dbraw/zinc/85/06/17/558850617.db2.gz MWZHKYIZNTYVIZ-MRXNPFEDSA-N 1 1 408.549 1.795 40 0 HDABMO O=C(C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000019293571 558865276 /nfs/dbraw/zinc/86/52/76/558865276.db2.gz PBPZWIMERRCVMQ-LJQANCHMSA-N 1 1 416.497 1.243 40 0 HDABMO O=C(c1cccnc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019339589 558871084 /nfs/dbraw/zinc/87/10/84/558871084.db2.gz NVJQDHHQRIWVOO-GOSISDBHSA-N 1 1 416.485 1.748 40 0 HDABMO O=C(c1cccnc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000019339589 558871087 /nfs/dbraw/zinc/87/10/87/558871087.db2.gz NVJQDHHQRIWVOO-GOSISDBHSA-N 1 1 416.485 1.748 40 0 HDABMO O=C([C@@H]1CCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019405345 558884697 /nfs/dbraw/zinc/88/46/97/558884697.db2.gz XGDKWXQCTSBJTQ-PMACEKPBSA-N 1 1 423.517 1.956 40 0 HDABMO O=C([C@@H]1CCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019405345 558884698 /nfs/dbraw/zinc/88/46/98/558884698.db2.gz XGDKWXQCTSBJTQ-PMACEKPBSA-N 1 1 423.517 1.956 40 0 HDABMO CC(C)[C@@H](NC(=O)c1cccc(F)c1F)c1cc(=O)[nH]c(N2CC[NH+](C)CC2)n1 ZINC000019445531 558885802 /nfs/dbraw/zinc/88/58/02/558885802.db2.gz YINVGOSADVQFAU-GOSISDBHSA-N 1 1 405.449 1.927 40 0 HDABMO COc1ncc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)cn1 ZINC000019448192 558887206 /nfs/dbraw/zinc/88/72/06/558887206.db2.gz DXZGIZNCDAZNTI-QGZVFWFLSA-N 1 1 412.494 1.702 40 0 HDABMO COc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)c(OC)c1 ZINC000019552493 558916064 /nfs/dbraw/zinc/91/60/64/558916064.db2.gz VPNGVUJLABPXAI-UHFFFAOYSA-N 1 1 400.479 1.637 40 0 HDABMO C[NH+](C)CCN(C(=O)Cc1csc(-c2cccnc2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000019582525 558937562 /nfs/dbraw/zinc/93/75/62/558937562.db2.gz DMOINWOGYIANGB-MRXNPFEDSA-N 1 1 408.549 1.325 40 0 HDABMO CN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000019590923 558941159 /nfs/dbraw/zinc/94/11/59/558941159.db2.gz OOXYTWGZVRXPKB-FQEVSTJZSA-N 1 1 422.489 1.096 40 0 HDABMO Cn1c(SCCO)nnc1[C@@H]1CCC[N@@H+](Cc2ccnc(N3CCCC3)n2)C1 ZINC000072348136 558945254 /nfs/dbraw/zinc/94/52/54/558945254.db2.gz SYRMOAMRZLULST-OAHLLOKOSA-N 1 1 403.556 1.669 40 0 HDABMO O=C(c1ccc(F)cc1)N1CC[N@@H+](Cc2ccccc2)C[C@](O)(Cn2cncn2)C1 ZINC000072354433 558951780 /nfs/dbraw/zinc/95/17/80/558951780.db2.gz PRTRQWJLXQHOFU-JOCHJYFZSA-N 1 1 409.465 1.807 40 0 HDABMO CNc1nc([C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)nc2c1CC[N@H+](C)C2 ZINC000019707441 558969915 /nfs/dbraw/zinc/96/99/15/558969915.db2.gz MOPDYUULLUWORP-HNNXBMFYSA-N 1 1 406.512 1.637 40 0 HDABMO CNc1nc([C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)nc2c1CC[N@@H+](C)C2 ZINC000019707441 558969916 /nfs/dbraw/zinc/96/99/16/558969916.db2.gz MOPDYUULLUWORP-HNNXBMFYSA-N 1 1 406.512 1.637 40 0 HDABMO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)[C@H]4OCCc5ccccc54)C3)[nH]c(=O)c2C1 ZINC000072398723 558976299 /nfs/dbraw/zinc/97/62/99/558976299.db2.gz QJEWPPIFDZATIQ-JXFKEZNVSA-N 1 1 408.502 1.778 40 0 HDABMO CC(C)[C@H]([NH2+][C@@H]1C=CS(=O)(=O)C1)C(=O)N1CCC[C@H](c2[nH]nc3ncccc32)C1 ZINC000257366819 559017825 /nfs/dbraw/zinc/01/78/25/559017825.db2.gz JFIMIYNSEVRIKM-UXLLHSPISA-N 1 1 417.535 1.589 40 0 HDABMO CC[C@H](C)C[N@H+]1C[C@@H]2C(=O)NC3(CCN(c4nc(OC)cc(OC)n4)CC3)[C@@H]2C1 ZINC000585106023 559028242 /nfs/dbraw/zinc/02/82/42/559028242.db2.gz FSYLIQOKTUJEHL-HRCADAONSA-N 1 1 403.527 1.557 40 0 HDABMO C[N@H+](Cc1cccnc1)C[C@H]1Cn2ccnc2CN(C(=O)CCc2cncnc2)C1 ZINC000585110692 559031486 /nfs/dbraw/zinc/03/14/86/559031486.db2.gz SGWHDSLJVSGARG-FQEVSTJZSA-N 1 1 405.506 1.791 40 0 HDABMO O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1ccccn1)CCC2 ZINC000096056171 559094138 /nfs/dbraw/zinc/09/41/38/559094138.db2.gz QHMBORQIXIQLPR-CVDCTZTESA-N 1 1 422.533 1.449 40 0 HDABMO CCN1CC[C@]2(C[N@@H+](Cc3cccnc3)CC23CCN(S(C)(=O)=O)CC3)C1=O ZINC000096062609 559094252 /nfs/dbraw/zinc/09/42/52/559094252.db2.gz RJWZCSZFRPXKJN-FQEVSTJZSA-N 1 1 406.552 1.178 40 0 HDABMO C[N@@H+](CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1cccc(F)c1 ZINC000585262299 559110746 /nfs/dbraw/zinc/11/07/46/559110746.db2.gz KETNJMNPHCCNFK-ZRNYENFQSA-N 1 1 406.429 1.568 40 0 HDABMO COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cccc(F)c3)[C@H]([N@@H+](C)CCO)[C@H]2O)c1 ZINC000585262308 559110774 /nfs/dbraw/zinc/11/07/74/559110774.db2.gz RPFNYTSYCZFYPV-CGXNFDGLSA-N 1 1 418.465 1.438 40 0 HDABMO OCCOCCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)cc1 ZINC000585269653 559115861 /nfs/dbraw/zinc/11/58/61/559115861.db2.gz GNWOFGNOXKTDFA-OALUTQOASA-N 1 1 400.466 1.351 40 0 HDABMO OCCOCCOc1ccc(CN2C[C@H](O)[C@@H]([NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000585269653 559115862 /nfs/dbraw/zinc/11/58/62/559115862.db2.gz GNWOFGNOXKTDFA-OALUTQOASA-N 1 1 400.466 1.351 40 0 HDABMO C[N@@H+](Cc1cccc(CN2CCOCC2)c1)C[C@]1(O)CCCN(c2ncccn2)C1 ZINC000585272984 559117263 /nfs/dbraw/zinc/11/72/63/559117263.db2.gz OCMXWNDAPMSGNB-HSZRJFAPSA-N 1 1 411.550 1.772 40 0 HDABMO CCOC(=O)N1CCC([N@H+]2CC[C@H](O)[C@@](O)(COc3cccc(F)c3F)C2)CC1 ZINC000585285074 559121414 /nfs/dbraw/zinc/12/14/14/559121414.db2.gz CBJHEVBBCIUDKP-PXNSSMCTSA-N 1 1 414.449 1.762 40 0 HDABMO CC(=O)N1CCC([N@H+]2CCN(C(C)=O)C[C@](O)(COc3cc(C)cc(C)c3)C2)CC1 ZINC000585287878 559123149 /nfs/dbraw/zinc/12/31/49/559123149.db2.gz UITFUJXTBHHZRR-HSZRJFAPSA-N 1 1 417.550 1.588 40 0 HDABMO CC(=O)N1CCC(O)(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3C)C2)CC1 ZINC000585287827 559123191 /nfs/dbraw/zinc/12/31/91/559123191.db2.gz SVCOYUAICFYWMH-GMAHTHKFSA-N 1 1 420.550 1.162 40 0 HDABMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)[NH2+][C@@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000105351232 559162698 /nfs/dbraw/zinc/16/26/98/559162698.db2.gz KYBSGTWCHDEYMC-UHENFLGGSA-N 1 1 405.882 1.548 40 0 HDABMO COCCOc1cc(C[N@@H+](C)C[C@]2(O)CCCN(c3ncccn3)C2)ccc1OC ZINC000257228007 559283746 /nfs/dbraw/zinc/28/37/46/559283746.db2.gz FRYOBPQXCLYTEQ-JOCHJYFZSA-N 1 1 416.522 1.974 40 0 HDABMO Cc1cc(N2CC[C@@](O)(C[N@@H+](C)Cc3cccc(CN4CCOCC4)c3)C2)ncn1 ZINC000257232353 559283908 /nfs/dbraw/zinc/28/39/08/559283908.db2.gz GKNNKBGRCXJCBR-HSZRJFAPSA-N 1 1 411.550 1.690 40 0 HDABMO CC(=O)N1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccc(OCc4ccccn4)cc3)C2)CC1 ZINC000257262319 559284712 /nfs/dbraw/zinc/28/47/12/559284712.db2.gz LKXRCBWDGOZXBH-DEOSSOPVSA-N 1 1 424.545 1.762 40 0 HDABMO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(OCCCO)cc2)C[C@H]1O ZINC000257309563 559286161 /nfs/dbraw/zinc/28/61/61/559286161.db2.gz UBKODYYRHKFPOH-BHIYHBOVSA-N 1 1 410.511 1.269 40 0 HDABMO CC(=O)N1CCC[N@H+](C[C@@H]2OC[C@H](NC(=O)Nc3cccc(Cl)c3)[C@H]2O)CC1 ZINC000514288403 560034866 /nfs/dbraw/zinc/03/48/66/560034866.db2.gz CSGLOXDXYKTVDB-OKZBNKHCSA-N 1 1 410.902 1.144 40 0 biogenic,in-vitro HDABMO CC(=O)N1CCC[N@@H+](C[C@@H]2OC[C@H](NC(=O)Nc3cccc(Cl)c3)[C@H]2O)CC1 ZINC000514288403 560034868 /nfs/dbraw/zinc/03/48/68/560034868.db2.gz CSGLOXDXYKTVDB-OKZBNKHCSA-N 1 1 410.902 1.144 40 0 biogenic,in-vitro HDABMO COCCn1ccc(C(=O)N2CC3(C2)CC[C@@H](C[N@@H+](C)Cc2cccnc2)CO3)n1 ZINC000575406007 560547378 /nfs/dbraw/zinc/54/73/78/560547378.db2.gz WOYRNYPXXRKNNN-IBGZPJMESA-N 1 1 413.522 1.678 40 0 HDABMO COCCN1[NH+]=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n1C ZINC000008725133 560637907 /nfs/dbraw/zinc/63/79/07/560637907.db2.gz GQKQGLPTTGCCFD-MRXNPFEDSA-N 1 1 424.505 1.965 40 0 HDABMO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)Cc2ccccc2)cc1 ZINC000409006162 560664502 /nfs/dbraw/zinc/66/45/02/560664502.db2.gz XYPUHIAGLAOPAV-UHFFFAOYSA-N 1 1 417.531 1.660 40 0 HDABMO CS(=O)(=O)N(CCCC(=O)NCCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000014396552 560841377 /nfs/dbraw/zinc/84/13/77/560841377.db2.gz MTWCNEONOYEYES-UHFFFAOYSA-N 1 1 401.504 1.210 40 0 HDABMO COC(=O)C1=C(C[NH2+]CCN2CCOCC2)NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000019364858 560872752 /nfs/dbraw/zinc/87/27/52/560872752.db2.gz OJQXGYHCFYJSLP-LJQANCHMSA-N 1 1 402.495 1.006 40 0 HDABMO Cc1cc(C)cc(N(CCCC(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)c1 ZINC000222572005 568518890 /nfs/dbraw/zinc/51/88/90/568518890.db2.gz RZDFSIDPNMOMFC-UHFFFAOYSA-N 1 1 411.568 1.688 40 0 HDABMO CCOc1ccc(-c2cc(C(=O)N3CC[C@H](O)[C@@H]([NH+]4CCOCC4)CC3)[nH]n2)cc1 ZINC000257200276 568776081 /nfs/dbraw/zinc/77/60/81/568776081.db2.gz ACSDYXPMDVBTHL-SFTDATJTSA-N 1 1 414.506 1.773 40 0 HDABMO Cc1cc2nc(CCC(=O)N[C@@H]3CCC[C@@H]([NH+]4CCOCC4)[C@@H]3O)[nH]c2cc1C ZINC000257245820 568789061 /nfs/dbraw/zinc/78/90/61/568789061.db2.gz IRESUDOIBYSDKY-ZWDAVXSWSA-N 1 1 400.523 1.843 40 0 HDABMO Cc1ocnc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCC(O)CC1 ZINC000257263867 568793911 /nfs/dbraw/zinc/79/39/11/568793911.db2.gz LRULZCBHODZEFU-JYBIWHBTSA-N 1 1 401.463 1.119 40 0 HDABMO COc1ccc(S(=O)(=O)CCNC(=O)[C@H]2CN(c3ccc(F)cc3)CC[NH2+]2)cc1 ZINC000257272250 568796187 /nfs/dbraw/zinc/79/61/87/568796187.db2.gz NBQDQDSVZZVMQM-LJQANCHMSA-N 1 1 421.494 1.203 40 0 HDABMO COc1ccc(C[N@H+]2CC[C@@]3(C2)Cn2c(nn(C4CCCC4)c(=O)c2=O)CO3)cc1 ZINC000306123839 568886969 /nfs/dbraw/zinc/88/69/69/568886969.db2.gz AYEFGOVENSETJX-JOCHJYFZSA-N 1 1 412.490 1.704 40 0 HDABMO COCCN1CC[C@]2(C[N@@H+](Cc3cnn(C)c3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306133957 568896114 /nfs/dbraw/zinc/89/61/14/568896114.db2.gz NAFONLKKVSTRLW-WIYYLYMNSA-N 1 1 400.527 1.662 40 0 HDABMO COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CC[N@@H+](Cc4cccnc4)C2)C3)cc1 ZINC000306134414 568896338 /nfs/dbraw/zinc/89/63/38/568896338.db2.gz NMSDVOJXSRGKQS-QHCPKHFHSA-N 1 1 419.485 1.305 40 0 HDABMO O=C([N-][C@H]1CS(=O)(=O)C[C@@H]1NCc1cccc(F)c1)C(Cl)(Cl)Cl ZINC000575421888 569026045 /nfs/dbraw/zinc/02/60/45/569026045.db2.gz SPYWMNHQTAKZCK-QWRGUYRKSA-N 1 1 403.690 1.567 40 0 HDABMO CCN(CC)C(=O)C[N@H+]1CC[C@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 ZINC000019694738 569346681 /nfs/dbraw/zinc/34/66/81/569346681.db2.gz YVPPODXJNBHCHI-SFHVURJKSA-N 1 1 424.549 1.966 40 0 HDABMO COc1cc2c(N)nc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)[nH+]c2c(C)c1OC ZINC000584577144 571310832 /nfs/dbraw/zinc/31/08/32/571310832.db2.gz VUHQSEUAZPGEEX-AWEZNQCLSA-N 1 1 401.467 1.365 40 0 HDABMO C[N@@H+](CCc1ccccc1)[C@H]1[C@@H](CNC(=O)c2cccc(F)c2)O[C@@H](CO)[C@H]1O ZINC000020465761 575368691 /nfs/dbraw/zinc/36/86/91/575368691.db2.gz QXOJFNSDSOETHX-IVAOSVALSA-N 1 1 402.466 1.219 40 0 biogenic,in-vitro HDABMO CC(=O)N1CCC([N@H+]2CCN3[C@H](CN(Cc4ccccc4)C[C@@]3(C)CO)C2)CC1 ZINC000253399018 291190344 /nfs/dbraw/zinc/19/03/44/291190344.db2.gz HYIXQVSPQPUPKS-PKTZIBPZSA-N 1 1 400.567 1.250 40 0 biogenic,in-vitro HDABMO CC(=O)N1CCC(N2CCN3[C@@H](C2)C[N@H+](Cc2ccccc2)C[C@@]3(C)CO)CC1 ZINC000253399018 291190348 /nfs/dbraw/zinc/19/03/48/291190348.db2.gz HYIXQVSPQPUPKS-PKTZIBPZSA-N 1 1 400.567 1.250 40 0 biogenic,in-vitro HDABMO CC(=O)N1CCC(N2CCN3[C@@H](C2)C[N@@H+](Cc2ccccc2)C[C@@]3(C)CO)CC1 ZINC000253399018 291190351 /nfs/dbraw/zinc/19/03/51/291190351.db2.gz HYIXQVSPQPUPKS-PKTZIBPZSA-N 1 1 400.567 1.250 40 0 biogenic,in-vitro HDABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 ZINC000044908402 523019138 /nfs/dbraw/zinc/01/91/38/523019138.db2.gz WQSHNBYYXWPXPY-LPHOPBHVSA-N 1 1 409.552 1.984 40 0 HDABMO O=C(Cn1nnc(-c2ccc(C[NH+]3CCOCC3)cc2)n1)Nc1ccc2c(c1)OCO2 ZINC000000907938 557115640 /nfs/dbraw/zinc/11/56/40/557115640.db2.gz AACYSONDRDXKPG-UHFFFAOYSA-N 1 1 422.445 1.540 40 0 HDABMO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2c1cc(C)cc2Cl ZINC000035375006 557530712 /nfs/dbraw/zinc/53/07/12/557530712.db2.gz MHUDSBSAPUUZHC-HMTGAFRWSA-N 1 1 405.882 1.548 40 0 HDABMO CC[NH+]1CCN([C@@H](c2nnnn2C[C@H]2CCCO2)c2cc(OC)ccc2OC)CC1 ZINC000035292430 557677526 /nfs/dbraw/zinc/67/75/26/557677526.db2.gz CNNSGOKDLQCJIO-YLJYHZDGSA-N 1 1 416.526 1.596 40 0 HDABMO COCCn1c2nc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)ccc2c(=O)n(C)c1=O ZINC000019743071 558263528 /nfs/dbraw/zinc/26/35/28/558263528.db2.gz HVRLZUXCISDJRU-INIZCTEOSA-N 1 1 409.490 1.516 40 0 HDABMO C[N@H+]1CCC[C@H](CNC(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)C1 ZINC000019751622 558271557 /nfs/dbraw/zinc/27/15/57/558271557.db2.gz FBXRFHRIPKICLM-OAHLLOKOSA-N 1 1 400.454 1.698 40 0 HDABMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc2c(c1)OCO2 ZINC000012239424 558359866 /nfs/dbraw/zinc/35/98/66/558359866.db2.gz LPQALAUZHYLLJS-QGZVFWFLSA-N 1 1 417.487 1.881 40 0 HDABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 ZINC000020493357 558378964 /nfs/dbraw/zinc/37/89/64/558378964.db2.gz LRTXLQGKOQVKTL-KRWDZBQOSA-N 1 1 405.524 1.315 40 0 HDABMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)CC1 ZINC000022246325 558472138 /nfs/dbraw/zinc/47/21/38/558472138.db2.gz DHWRXTFKIJXALY-HXUWFJFHSA-N 1 1 401.532 1.740 40 0 HDABMO CC(C)c1ccc(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(C)(=O)=O)cc1 ZINC000022933317 558525169 /nfs/dbraw/zinc/52/51/69/558525169.db2.gz ZPFYPRGXVFJKTQ-UHFFFAOYSA-N 1 1 410.584 1.330 40 0 HDABMO CN(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000025071698 558630316 /nfs/dbraw/zinc/63/03/16/558630316.db2.gz VIKGJEFJODGZGL-UHFFFAOYSA-N 1 1 417.531 1.456 40 0 HDABMO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000027689476 558680242 /nfs/dbraw/zinc/68/02/42/558680242.db2.gz JONXCARIBAWUIG-UHFFFAOYSA-N 1 1 411.568 1.488 40 0 HDABMO CC[C@]1(OC(=O)C[NH3+])c2cc3n(c(=O)c2COC1=O)Cc1cc2ccccc2nc1-3 ZINC000029566418 558717117 /nfs/dbraw/zinc/71/71/17/558717117.db2.gz JMZZXKLQQWGKQV-QFIPXVFZSA-N 1 1 405.410 1.589 40 0 in-vitro HDABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000035883667 558795615 /nfs/dbraw/zinc/79/56/15/558795615.db2.gz RIXZPJMVHKAKIZ-VIEMZLMHSA-N 1 1 415.877 1.746 40 0 HDABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000035883667 558795617 /nfs/dbraw/zinc/79/56/17/558795617.db2.gz RIXZPJMVHKAKIZ-VIEMZLMHSA-N 1 1 415.877 1.746 40 0 HDABMO CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CC[NH+](CC)CC2)cc1Cl ZINC000016681496 558799252 /nfs/dbraw/zinc/79/92/52/558799252.db2.gz ZGEOZXQYMIFPSN-UHFFFAOYSA-N 1 1 417.959 1.913 40 0 HDABMO CC(=O)N1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@]23COc2ccc(F)cc2C3=O)CC1 ZINC000019017628 558837279 /nfs/dbraw/zinc/83/72/79/558837279.db2.gz YKMNMFCPXYTMIN-UWJYYQICSA-N 1 1 403.454 1.030 40 0 HDABMO Cc1nn(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)c2cc3occc3n21 ZINC000019288305 558861346 /nfs/dbraw/zinc/86/13/46/558861346.db2.gz QYTQXVOBKMEBTE-UHFFFAOYSA-N 1 1 405.458 1.895 40 0 HDABMO O=C([C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1)N1CC(O)C1 ZINC000019372445 558879493 /nfs/dbraw/zinc/87/94/93/558879493.db2.gz QVHRNKZCIBLSLD-PMACEKPBSA-N 1 1 407.518 1.496 40 0 HDABMO COc1cc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)ccc1O ZINC000019550062 558914927 /nfs/dbraw/zinc/91/49/27/558914927.db2.gz LHFIOAXBEUXHOO-INIZCTEOSA-N 1 1 400.479 1.700 40 0 HDABMO COc1cc(CCC(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@@H+](C)CC4)C2)on1 ZINC000019590236 558940961 /nfs/dbraw/zinc/94/09/61/558940961.db2.gz CNHDVGIOZHEYQE-ZDUSSCGKSA-N 1 1 401.467 1.506 40 0 HDABMO Cc1nccc(CN2CCN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC2)n1 ZINC000072348200 558945209 /nfs/dbraw/zinc/94/52/09/558945209.db2.gz QQIQFXCGKSAQIA-UHFFFAOYSA-N 1 1 409.542 1.493 40 0 HDABMO Cc1ccc(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)cc1S(=O)(=O)N(C)C ZINC000019662587 558953707 /nfs/dbraw/zinc/95/37/07/558953707.db2.gz GFMKIPZURHPZDT-UHFFFAOYSA-N 1 1 417.535 1.644 40 0 HDABMO CN(C)C(=O)[C@@]12C[N@@H+](Cc3cnn(C)c3)C[C@@H]1CN(C(=O)c1cccs1)CCC2 ZINC000096251301 559105428 /nfs/dbraw/zinc/10/54/28/559105428.db2.gz KIJOLAIPXOFDLV-UTKZUKDTSA-N 1 1 415.563 1.924 40 0 HDABMO C[N@@H+](CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1ccccc1F ZINC000585262307 559110732 /nfs/dbraw/zinc/11/07/32/559110732.db2.gz RJMQYLHPNYLYTO-ZRNYENFQSA-N 1 1 406.429 1.568 40 0 HDABMO COc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCCOCCO)cc2)cc1 ZINC000585270511 559116308 /nfs/dbraw/zinc/11/63/08/559116308.db2.gz YEMCSSXPSZATEY-LJQANCHMSA-N 1 1 405.491 1.955 40 0 HDABMO Cc1cc(OC[C@]2(CC(N)=O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)ccc1Cl ZINC000585284686 559121315 /nfs/dbraw/zinc/12/13/15/559121315.db2.gz HZZBNKFEPFHAGX-QRWLVFNGSA-N 1 1 409.914 1.452 40 0 HDABMO OCCOCCOc1ccc(C[N@@H+]2CC[C@](O)(CN3CCC(F)(F)CC3)C2)cc1 ZINC000257297474 559285966 /nfs/dbraw/zinc/28/59/66/559285966.db2.gz RHJURTMOORFILK-FQEVSTJZSA-N 1 1 414.493 1.742 40 0 HDABMO OCCOCCOc1ccc(C[N@H+]2CC[C@](O)(CN3CCC(F)(F)CC3)C2)cc1 ZINC000257297474 559285968 /nfs/dbraw/zinc/28/59/68/559285968.db2.gz RHJURTMOORFILK-FQEVSTJZSA-N 1 1 414.493 1.742 40 0 HDABMO O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)C[N@H+]2C2(CN(CCc3ccccc3)C2)C1 ZINC000514290271 560030066 /nfs/dbraw/zinc/03/00/66/560030066.db2.gz VXPVWCUJRXPXQB-DHIUTWEWSA-N 1 1 405.542 1.804 40 0 biogenic,in-vitro HDABMO O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)C[N@@H+]2C2(CN(CCc3ccccc3)C2)C1 ZINC000514290271 560030067 /nfs/dbraw/zinc/03/00/67/560030067.db2.gz VXPVWCUJRXPXQB-DHIUTWEWSA-N 1 1 405.542 1.804 40 0 biogenic,in-vitro HDABMO O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)CN2C2(C[NH+](CCc3ccccc3)C2)C1 ZINC000514290271 560030068 /nfs/dbraw/zinc/03/00/68/560030068.db2.gz VXPVWCUJRXPXQB-DHIUTWEWSA-N 1 1 405.542 1.804 40 0 biogenic,in-vitro HDABMO CC(=O)N1CCC([N@@H+]2C[C@@H]3[C@H](C2)Oc2cc(-c4cnn(C)c4)ccc2C(=O)N3C)CC1 ZINC000514290035 560030767 /nfs/dbraw/zinc/03/07/67/560030767.db2.gz RGKNWGKWZKDKRH-IRLDBZIGSA-N 1 1 423.517 1.615 40 0 biogenic,in-vitro HDABMO COCCn1ccc(C(=O)N2CC3(C2)C[C@@H](COCc2ccncc2)CC[N@@H+]3C)n1 ZINC000575402763 560546745 /nfs/dbraw/zinc/54/67/45/560546745.db2.gz HCFHOEFUBHVIIF-IBGZPJMESA-N 1 1 413.522 1.678 40 0 HDABMO COCCn1ccc(C(=O)N2CC3(C2)C[C@@H](COCc2ccncc2)CC[N@H+]3C)n1 ZINC000575402763 560546747 /nfs/dbraw/zinc/54/67/47/560546747.db2.gz HCFHOEFUBHVIIF-IBGZPJMESA-N 1 1 413.522 1.678 40 0 HDABMO Cc1cccc2cc(CN(CCO)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c12 ZINC000019822689 560875857 /nfs/dbraw/zinc/87/58/57/560875857.db2.gz ALOHTFFPZGZULE-UHFFFAOYSA-N 1 1 418.563 1.228 40 0 HDABMO CSc1cccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)c1 ZINC000220069337 568501931 /nfs/dbraw/zinc/50/19/31/568501931.db2.gz BELJABZVRXJQET-UHFFFAOYSA-N 1 1 401.554 1.013 40 0 HDABMO Cc1ccc(N([C@@H](C)C(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)cc1Cl ZINC000220366213 568505251 /nfs/dbraw/zinc/50/52/51/568505251.db2.gz SSAFSLHEBDWDHV-HNNXBMFYSA-N 1 1 417.959 1.641 40 0 HDABMO CC[NH+]1CCN(C(=O)CCc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)CC1 ZINC000224041771 568567450 /nfs/dbraw/zinc/56/74/50/568567450.db2.gz QDYDWQJBIAGXPX-UHFFFAOYSA-N 1 1 423.579 1.967 40 0 HDABMO CC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000224539139 568584178 /nfs/dbraw/zinc/58/41/78/568584178.db2.gz YIHNKSAEXAYFHZ-UHFFFAOYSA-N 1 1 409.537 1.961 40 0 HDABMO COc1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1N1C(=O)CCC1=O ZINC000225430903 568637545 /nfs/dbraw/zinc/63/75/45/568637545.db2.gz LNWMUILBRPBWSX-OAHLLOKOSA-N 1 1 423.535 1.749 40 0 HDABMO CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000225635874 568659069 /nfs/dbraw/zinc/65/90/69/568659069.db2.gz LQHGZMBBLDRGQW-SFHVURJKSA-N 1 1 413.540 1.078 40 0 HDABMO O=C(NC[C@H]1CC[C@@]2(COCC[N@@H+](Cc3ccc(CO)o3)C2)O1)c1cccnc1 ZINC000247958343 568746183 /nfs/dbraw/zinc/74/61/83/568746183.db2.gz WIABIOROVWITGL-DYESRHJHSA-N 1 1 401.463 1.347 40 0 HDABMO O=C(NC[C@H]1CC[C@@]2(COCC[N@H+](Cc3ccc(CO)o3)C2)O1)c1cccnc1 ZINC000247958343 568746185 /nfs/dbraw/zinc/74/61/85/568746185.db2.gz WIABIOROVWITGL-DYESRHJHSA-N 1 1 401.463 1.347 40 0 HDABMO NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccnn1C1CCCC1 ZINC000257203128 568776955 /nfs/dbraw/zinc/77/69/55/568776955.db2.gz AOUDJKBJEZGOSX-LJQANCHMSA-N 1 1 410.522 1.608 40 0 HDABMO NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccnn1C1CCCC1 ZINC000257203128 568776958 /nfs/dbraw/zinc/77/69/58/568776958.db2.gz AOUDJKBJEZGOSX-LJQANCHMSA-N 1 1 410.522 1.608 40 0 HDABMO NC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccccc2N2CCOCC2)C1 ZINC000257245387 568789133 /nfs/dbraw/zinc/78/91/33/568789133.db2.gz IPGQWBHDVPDBQT-HSZRJFAPSA-N 1 1 423.517 1.376 40 0 HDABMO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccccc2N2CCOCC2)C1 ZINC000257245387 568789135 /nfs/dbraw/zinc/78/91/35/568789135.db2.gz IPGQWBHDVPDBQT-HSZRJFAPSA-N 1 1 423.517 1.376 40 0 HDABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)COc3c(C)cccc3C)[C@H]2O)CC1 ZINC000257254077 568791297 /nfs/dbraw/zinc/79/12/97/568791297.db2.gz KBLZLLLCBFIBGX-SFHLNBCPSA-N 1 1 403.523 1.245 40 0 HDABMO C[N@@H+](Cc1ccc(F)cc1)[C@H]1CN(CC(=O)N2CC(=O)Nc3ccccc32)C[C@@H]1O ZINC000257271503 568795980 /nfs/dbraw/zinc/79/59/80/568795980.db2.gz MYPJRBRGXZCWQO-PMACEKPBSA-N 1 1 412.465 1.288 40 0 HDABMO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@@](C)(C(=O)N3CCOCC3)C2)cc1 ZINC000257332648 568814047 /nfs/dbraw/zinc/81/40/47/568814047.db2.gz XYDHNWCQZUHTMM-OAQYLSRUSA-N 1 1 402.495 1.544 40 0 HDABMO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@]1(CC[N@H+](Cc3cccnc3)C1)C2 ZINC000306132237 568894407 /nfs/dbraw/zinc/89/44/07/568894407.db2.gz LCKJCZONZULMKQ-QFIPXVFZSA-N 1 1 411.506 1.555 40 0 HDABMO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@]1(CC[N@@H+](Cc3cccnc3)C1)C2 ZINC000306132237 568894409 /nfs/dbraw/zinc/89/44/09/568894409.db2.gz LCKJCZONZULMKQ-QFIPXVFZSA-N 1 1 411.506 1.555 40 0 HDABMO CN(Cc1ccccc1)C(=O)[C@@H]1CN(C)CC2(CC[NH+](Cc3cnn(C)c3)CC2)O1 ZINC000306132747 568894880 /nfs/dbraw/zinc/89/48/80/568894880.db2.gz LQYUYDIQSIOZRK-NRFANRHFSA-N 1 1 411.550 1.744 40 0 HDABMO COc1ncccc1C[N@@H+]1CC[C@@]2(C1)Cn1c(nn(C3CCCC3)c(=O)c1=O)CO2 ZINC000306133279 568895284 /nfs/dbraw/zinc/89/52/84/568895284.db2.gz MHFUBCOMKBLJFC-OAQYLSRUSA-N 1 1 413.478 1.099 40 0 HDABMO COc1ncccc1C[N@H+]1CC[C@@]2(C1)Cn1c(nn(C3CCCC3)c(=O)c1=O)CO2 ZINC000306133279 568895285 /nfs/dbraw/zinc/89/52/85/568895285.db2.gz MHFUBCOMKBLJFC-OAQYLSRUSA-N 1 1 413.478 1.099 40 0 HDABMO COc1ncccc1C[N@@H+]1C[C@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 ZINC000306135559 568897567 /nfs/dbraw/zinc/89/75/67/568897567.db2.gz OURQWSPWHVWCNV-MOPGFXCFSA-N 1 1 418.501 1.916 40 0 HDABMO COc1cc(N2CC[C@@]3(C2)C[N@H+](C)C[C@@H](C(=O)N(C)Cc2ccccc2)O3)ncn1 ZINC000306135622 568897603 /nfs/dbraw/zinc/89/76/03/568897603.db2.gz OWEQDFLVXQLXFM-AVRDEDQJSA-N 1 1 411.506 1.423 40 0 HDABMO COc1cc(N2CC[C@@]3(C2)C[N@@H+](C)C[C@@H](C(=O)N(C)Cc2ccccc2)O3)ncn1 ZINC000306135622 568897604 /nfs/dbraw/zinc/89/76/04/568897604.db2.gz OWEQDFLVXQLXFM-AVRDEDQJSA-N 1 1 411.506 1.423 40 0 HDABMO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@@]1(CC[N@H+](Cc3ccccn3)C1)C2 ZINC000306137279 568899196 /nfs/dbraw/zinc/89/91/96/568899196.db2.gz QRPUEHZIZNIVHM-JOCHJYFZSA-N 1 1 411.506 1.555 40 0 HDABMO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@@]1(CC[N@@H+](Cc3ccccn3)C1)C2 ZINC000306137279 568899198 /nfs/dbraw/zinc/89/91/98/568899198.db2.gz QRPUEHZIZNIVHM-JOCHJYFZSA-N 1 1 411.506 1.555 40 0 HDABMO Cn1cncc1CNc1ncc2c(n1)[C@]1(CC[N@@H+](Cc3ccc(=O)[nH]c3)C1)COC2 ZINC000306139278 568901180 /nfs/dbraw/zinc/90/11/80/568901180.db2.gz STTVGUSNQUASQD-NRFANRHFSA-N 1 1 407.478 1.597 40 0 HDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CC[N@@H+](Cc4cccs4)C2)C3)cs1 ZINC000306141719 568903260 /nfs/dbraw/zinc/90/32/60/568903260.db2.gz WEQCQEBDALHIEQ-IBGZPJMESA-N 1 1 415.544 1.728 40 0 HDABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1 ZINC000006953377 569335613 /nfs/dbraw/zinc/33/56/13/569335613.db2.gz YIQBXFBRDPKBFG-UHFFFAOYSA-N 1 1 417.531 1.708 40 0 HDABMO CCN(CC)C(=O)C[N@H+]1CC[C@@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 ZINC000019694737 569346657 /nfs/dbraw/zinc/34/66/57/569346657.db2.gz YVPPODXJNBHCHI-GOSISDBHSA-N 1 1 424.549 1.966 40 0 HDABMO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000021005516 569349732 /nfs/dbraw/zinc/34/97/32/569349732.db2.gz AMVWKVRCSQHXIL-KRWDZBQOSA-N 1 1 417.531 1.706 40 0 HDABMO C[N@@H+]1[C@@H]2CCN(Cc3cccs3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccco1 ZINC000022922560 291194201 /nfs/dbraw/zinc/19/42/01/291194201.db2.gz LUYZLBDRLGAFKC-CVAIRZPRSA-N 1 1 416.547 1.811 40 0 biogenic,in-vitro HDABMO C[N@H+]1[C@@H]2CCN(Cc3cccs3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccco1 ZINC000022922560 291194202 /nfs/dbraw/zinc/19/42/02/291194202.db2.gz LUYZLBDRLGAFKC-CVAIRZPRSA-N 1 1 416.547 1.811 40 0 biogenic,in-vitro HDABMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cccnc1N1CCN(C(=O)c2ccco2)CC1 ZINC000012181171 536432338 /nfs/dbraw/zinc/43/23/38/536432338.db2.gz OBFFXLZQNMQAKF-QGZVFWFLSA-N 1 1 411.506 1.661 40 0 HDABMO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1cccc(Cl)c1Cl ZINC000408616313 557542572 /nfs/dbraw/zinc/54/25/72/557542572.db2.gz GDSJKOPRVKBFKX-UHFFFAOYSA-N 1 1 424.350 1.598 40 0 HDABMO Cc1[nH+]ccn1C[C@@H]1CCCN(C(=O)Cn2cccc(C(=O)NCC3CC3)c2=O)C1 ZINC000019750559 558270470 /nfs/dbraw/zinc/27/04/70/558270470.db2.gz SXNZAQKCDZXNNQ-SFHVURJKSA-N 1 1 411.506 1.432 40 0 HDABMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)c2)C1 ZINC000019751274 558271217 /nfs/dbraw/zinc/27/12/17/558271217.db2.gz SLHGFZIQAHZYPC-QGZVFWFLSA-N 1 1 414.481 1.375 40 0 HDABMO C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc(C(=O)NCc2ccc(F)cc2)ccc1=O ZINC000019751369 558271292 /nfs/dbraw/zinc/27/12/92/558271292.db2.gz SCKRDHVCRXTJEA-LJQANCHMSA-N 1 1 414.481 1.518 40 0 HDABMO O=C(Cn1cc(C(=O)Nc2ccc(F)cc2)ccc1=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000019751541 558271461 /nfs/dbraw/zinc/27/14/61/558271461.db2.gz LSRVOXBUXHXIRI-LJQANCHMSA-N 1 1 412.465 1.936 40 0 HDABMO NC(=O)C1CC[NH+](CC(=O)N2Cc3cc(Cl)ccc3OC3(CCOCC3)C2)CC1 ZINC000012122027 558330718 /nfs/dbraw/zinc/33/07/18/558330718.db2.gz IPEFBILRUOYBQC-UHFFFAOYSA-N 1 1 421.925 1.808 40 0 HDABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000020480935 558374894 /nfs/dbraw/zinc/37/48/94/558374894.db2.gz VDRVCNMDYGOUNT-QGZVFWFLSA-N 1 1 405.524 1.315 40 0 HDABMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)CC1 ZINC000022246328 558472141 /nfs/dbraw/zinc/47/21/41/558472141.db2.gz DHWRXTFKIJXALY-FQEVSTJZSA-N 1 1 401.532 1.740 40 0 HDABMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000022247040 558472321 /nfs/dbraw/zinc/47/23/21/558472321.db2.gz XDFKIJQBAISYLZ-IBGZPJMESA-N 1 1 405.495 1.489 40 0 HDABMO CC(C)Oc1ccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)cc1 ZINC000022401876 558487531 /nfs/dbraw/zinc/48/75/31/558487531.db2.gz MUPUUTYTWAWBBA-UHFFFAOYSA-N 1 1 413.540 1.078 40 0 HDABMO Cc1nc2nc3ccn(N4CC[NH+](C)CC4)c(=O)c3c(-c3ccc(Cl)cc3)n2n1 ZINC000038828879 558816133 /nfs/dbraw/zinc/81/61/33/558816133.db2.gz FLCRNTDKRQNWKO-UHFFFAOYSA-N 1 1 409.881 1.951 40 0 HDABMO COc1ccc(N2C[C@@H](C(=O)N3CCC(O)(Cn4cc[nH+]c4C)CC3)CC2=O)cc1 ZINC000019287819 558860986 /nfs/dbraw/zinc/86/09/86/558860986.db2.gz NGJJOAPZPKEJRA-KRWDZBQOSA-N 1 1 412.490 1.607 40 0 HDABMO O=C(CN1CC[NH+](CCOc2ccccc2)CC1)N1CCC[C@@H](c2csnn2)C1 ZINC000019373524 558880536 /nfs/dbraw/zinc/88/05/36/558880536.db2.gz BCZMSPRHFORSFU-GOSISDBHSA-N 1 1 415.563 1.941 40 0 HDABMO C[C@@H](NC(=O)Cc1ccc2c(c1)CCCO2)c1cc(=O)[nH]c(N2CC[NH+](C)CC2)n1 ZINC000019458367 558892526 /nfs/dbraw/zinc/89/25/26/558892526.db2.gz HXPLGPAUHWXWBG-OAHLLOKOSA-N 1 1 411.506 1.267 40 0 HDABMO COc1ccc(C[N@H+]2CCc3nc([C@@H]4CCN(S(C)(=O)=O)C4)[nH]c(=O)c3C2)cc1 ZINC000019555572 558918461 /nfs/dbraw/zinc/91/84/61/558918461.db2.gz DUPIXVLEBCZCQM-OAHLLOKOSA-N 1 1 418.519 1.498 40 0 HDABMO C[NH+](C)CCN(C(=O)Cc1csc(-c2cccnc2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000019582528 558937537 /nfs/dbraw/zinc/93/75/37/558937537.db2.gz DMOINWOGYIANGB-INIZCTEOSA-N 1 1 408.549 1.325 40 0 HDABMO COCCNC(=O)[C@@H]1C[N@@H+](Cc2ccncc2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019593511 558944558 /nfs/dbraw/zinc/94/45/58/558944558.db2.gz IQCDOXSODJHBFI-RTBURBONSA-N 1 1 410.522 1.450 40 0 HDABMO C[NH+]1CCN(c2cc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)ccn2)CC1 ZINC000019654673 558948034 /nfs/dbraw/zinc/94/80/34/558948034.db2.gz CAVRZROIQWFSRL-UHFFFAOYSA-N 1 1 415.519 1.626 40 0 HDABMO NC(=O)CC[N@H+]1CCC[C@@H](C(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)C1 ZINC000019654803 558948267 /nfs/dbraw/zinc/94/82/67/558948267.db2.gz DWEMVECGODJFAU-OAHLLOKOSA-N 1 1 408.524 1.143 40 0 HDABMO O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000036151834 558983650 /nfs/dbraw/zinc/98/36/50/558983650.db2.gz BIFWRLIMBVQLOC-VZKMNXCRSA-N 1 1 417.421 1.847 40 0 HDABMO CCOC(=O)[C@@]12C[N@@H+](CCN(C)C)C[C@@H]1CN(C(=O)c1nnsc1C)CCC2 ZINC000585108083 559029902 /nfs/dbraw/zinc/02/99/02/559029902.db2.gz RYGXXJOPJOUBAC-BEFAXECRSA-N 1 1 409.556 1.125 40 0 HDABMO CCOC(=O)[C@@]12CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c1nnsc1C)CCC2 ZINC000585108083 559029904 /nfs/dbraw/zinc/02/99/04/559029904.db2.gz RYGXXJOPJOUBAC-BEFAXECRSA-N 1 1 409.556 1.125 40 0 HDABMO COCC[N@H+]1CC2(CCN(C(=O)Cc3cccc(F)c3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096144241 559096487 /nfs/dbraw/zinc/09/64/87/559096487.db2.gz RASYJWGNDKVSIX-QHCPKHFHSA-N 1 1 417.525 1.788 40 0 HDABMO CC(=O)N1CCC([N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(F)c(C)c3)C2)CC1 ZINC000585283044 559120359 /nfs/dbraw/zinc/12/03/59/559120359.db2.gz OZDUELINVPGURS-JOCHJYFZSA-N 1 1 421.513 1.419 40 0 HDABMO Cc1cc(OC[C@@]2(CC(N)=O)CN(C(=O)[C@H]3CC[N@H+](C)C3)CCO2)ccc1Cl ZINC000585284685 559121335 /nfs/dbraw/zinc/12/13/35/559121335.db2.gz HZZBNKFEPFHAGX-MGPUTAFESA-N 1 1 409.914 1.452 40 0 HDABMO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)[NH2+][C@]21C(=O)Nc2c1cc(C)cc2Cl ZINC000105351341 559162692 /nfs/dbraw/zinc/16/26/92/559162692.db2.gz MHUDSBSAPUUZHC-KKXOKHHESA-N 1 1 405.882 1.548 40 0 HDABMO COCCOc1cc(C[N@@H+](C)C[C@@]2(O)CCN(c3ncccn3)C2)ccc1OC ZINC000257339600 559283499 /nfs/dbraw/zinc/28/34/99/559283499.db2.gz ZCKSJXWPUDHXNL-NRFANRHFSA-N 1 1 402.495 1.584 40 0 HDABMO COCCOc1cc(C[N@@H+](C)C[C@@]2(O)CCCN(c3ncccn3)C2)ccc1OC ZINC000257228008 559283824 /nfs/dbraw/zinc/28/38/24/559283824.db2.gz FRYOBPQXCLYTEQ-QFIPXVFZSA-N 1 1 416.522 1.974 40 0 HDABMO C[NH+]1CCN(N2CN=C3N[C@H](c4ccccc4)n4c5ccccc5nc4N3C2)CC1 ZINC000019171493 560872382 /nfs/dbraw/zinc/87/23/82/560872382.db2.gz UHFUSNVKAWAOJB-FQEVSTJZSA-N 1 1 402.506 1.742 40 0 HDABMO COc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C)CC3)c(=O)[nH]c2c1 ZINC000019589840 560874738 /nfs/dbraw/zinc/87/47/38/560874738.db2.gz PNGAPTRQAHXOAD-FQEVSTJZSA-N 1 1 423.521 1.975 40 0 HDABMO COCCn1nnnc1[C@H](c1cc2ccc(C)c(C)c2[nH]c1=O)N1CC[NH+](C)CC1 ZINC000020082797 560880445 /nfs/dbraw/zinc/88/04/45/560880445.db2.gz MJLSQBMXMFUSTJ-IBGZPJMESA-N 1 1 411.510 1.115 40 0 HDABMO CC[C@@H](C(=O)NCCC[NH+]1CCOCC1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220546091 568506685 /nfs/dbraw/zinc/50/66/85/568506685.db2.gz HRHZFPZAMRDZTG-SFHVURJKSA-N 1 1 411.568 1.687 40 0 HDABMO Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCC[NH+]3CCCC3)s2)cc1 ZINC000224013694 568566358 /nfs/dbraw/zinc/56/63/58/568566358.db2.gz URQYEAKUHAUIIN-UHFFFAOYSA-N 1 1 409.537 1.863 40 0 HDABMO CC(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)s1 ZINC000224853249 568600420 /nfs/dbraw/zinc/60/04/20/568600420.db2.gz PNXPQSXVKCJOBQ-UHFFFAOYSA-N 1 1 409.537 1.961 40 0 HDABMO Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCC[NH+]3CCCC3)s2)c1 ZINC000225866295 568681961 /nfs/dbraw/zinc/68/19/61/568681961.db2.gz FFIOGSHTTLCHCD-UHFFFAOYSA-N 1 1 409.537 1.863 40 0 HDABMO CN(c1ccc(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1)S(C)(=O)=O ZINC000225977953 568689758 /nfs/dbraw/zinc/68/97/58/568689758.db2.gz NDYRDCUWILPIBJ-UHFFFAOYSA-N 1 1 401.532 1.969 40 0 HDABMO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ncccn5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000061997577 568711339 /nfs/dbraw/zinc/71/13/39/568711339.db2.gz BNFUIDSOFLPLAA-JGYPLLGPSA-N 1 1 412.534 1.884 40 0 HDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3cc4ccc(F)cc4[nH]3)CC[C@@H]2O)CC1 ZINC000257205879 568777998 /nfs/dbraw/zinc/77/79/98/568777998.db2.gz BAYHTTRWFISXNS-PMACEKPBSA-N 1 1 402.470 1.437 40 0 HDABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)NCCc2nc3ccccc3[nH]2)C1 ZINC000257231403 568785058 /nfs/dbraw/zinc/78/50/58/568785058.db2.gz GGNYSVYFHXWBNY-QHCPKHFHSA-N 1 1 420.517 1.396 40 0 HDABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)NCCc2nc3ccccc3[nH]2)C1 ZINC000257231403 568785059 /nfs/dbraw/zinc/78/50/59/568785059.db2.gz GGNYSVYFHXWBNY-QHCPKHFHSA-N 1 1 420.517 1.396 40 0 HDABMO CN1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)C[N@@H+](CC3CC3)CCO2)CC1 ZINC000257269441 568795335 /nfs/dbraw/zinc/79/53/35/568795335.db2.gz MPYFRXVTTORMSX-JOCHJYFZSA-N 1 1 405.514 1.850 40 0 HDABMO Cc1nc2cc([C@H]3CC[N@H+](CC(N)=O)C3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257276202 568797336 /nfs/dbraw/zinc/79/73/36/568797336.db2.gz NSTVPBDPIGRGOP-HNNXBMFYSA-N 1 1 400.527 1.468 40 0 HDABMO Cc1nc2cc([C@H]3CC[N@@H+](CC(N)=O)C3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257276202 568797338 /nfs/dbraw/zinc/79/73/38/568797338.db2.gz NSTVPBDPIGRGOP-HNNXBMFYSA-N 1 1 400.527 1.468 40 0 HDABMO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1cc(C)ccc1OC ZINC000257308156 568806918 /nfs/dbraw/zinc/80/69/18/568806918.db2.gz TVQNZXPVOXDPOX-HXUWFJFHSA-N 1 1 410.518 1.875 40 0 HDABMO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1cc(C)ccc1OC ZINC000257308156 568806921 /nfs/dbraw/zinc/80/69/21/568806921.db2.gz TVQNZXPVOXDPOX-HXUWFJFHSA-N 1 1 410.518 1.875 40 0 HDABMO [NH3+]CCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCc2ccccc2C1 ZINC000257315075 568808716 /nfs/dbraw/zinc/80/87/16/568808716.db2.gz UZULLBBDCPTTGJ-SCPDWHHUSA-N 1 1 413.493 1.598 40 0 HDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@]2(CC[N@@H+](Cc4cccc(C)c4)C2)C3)cs1 ZINC000306125122 568887946 /nfs/dbraw/zinc/88/79/46/568887946.db2.gz CHTAHIYTBBKJAX-JOCHJYFZSA-N 1 1 423.542 1.975 40 0 HDABMO CS(=O)(=O)N[C@H]1CCN(C(=O)CC2CC2)C[C@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000306128101 568890981 /nfs/dbraw/zinc/89/09/81/568890981.db2.gz GQDGSHSPUNCYLH-PZJWPPBQSA-N 1 1 405.564 1.829 40 0 HDABMO COCCN1CCO[C@]2(C[N@@H+](Cc3sccc3C)C[C@@H]2c2ccnn2C)C1=O ZINC000306134425 568896222 /nfs/dbraw/zinc/89/62/22/568896222.db2.gz NMVGAWQSQUNGIY-UZLBHIALSA-N 1 1 404.536 1.633 40 0 HDABMO CC(C)NC(=O)N1CC[C@@]2(CCn3c2nc2c(c3=O)C[N@H+](Cc3ccco3)CC2)C1 ZINC000306136388 568898184 /nfs/dbraw/zinc/89/81/84/568898184.db2.gz PSCHZVXEWVSBTJ-JOCHJYFZSA-N 1 1 411.506 1.860 40 0 HDABMO CC(C)NC(=O)N1CC[C@@]2(CCn3c2nc2c(c3=O)C[N@@H+](Cc3ccco3)CC2)C1 ZINC000306136388 568898187 /nfs/dbraw/zinc/89/81/87/568898187.db2.gz PSCHZVXEWVSBTJ-JOCHJYFZSA-N 1 1 411.506 1.860 40 0 HDABMO C[C@@H](O)[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@@H]21 ZINC000016033942 569028006 /nfs/dbraw/zinc/02/80/06/569028006.db2.gz OTFGQGNYDVZDKF-UBVFDOLUSA-N 1 1 415.465 1.650 40 0 HDABMO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)n1 ZINC000019695093 569346776 /nfs/dbraw/zinc/34/67/76/569346776.db2.gz AOYWLYVXYPQDNI-KRWDZBQOSA-N 1 1 408.506 1.330 40 0 HDABMO CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2CN1CCN(c2ccccn2)CC1 ZINC000020503901 291191841 /nfs/dbraw/zinc/19/18/41/291191841.db2.gz QTEJZRJYOMFSSZ-SLFFLAALSA-N 1 1 400.571 1.622 40 0 biogenic,in-vitro HDABMO Cn1ccnc1C1(O)CC[NH+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000012114526 132354158 /nfs/dbraw/zinc/35/41/58/132354158.db2.gz RNDQPJIXTILPAF-UHFFFAOYSA-N 1 1 401.486 1.191 40 0 HDABMO CCOc1ccc(N([C@H](C)C(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)cc1 ZINC000408613762 557538053 /nfs/dbraw/zinc/53/80/53/557538053.db2.gz XYDONIHTJLOQEL-MRXNPFEDSA-N 1 1 413.540 1.078 40 0 HDABMO CN(c1ccccc1C(=O)NCCC[NH+]1CCOCC1)S(=O)(=O)c1ccccc1 ZINC000408616727 557543119 /nfs/dbraw/zinc/54/31/19/557543119.db2.gz HNJZLXLDYZYIJW-UHFFFAOYSA-N 1 1 417.531 1.964 40 0 HDABMO Cc1[nH+]ccn1CCNC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000019748875 558268300 /nfs/dbraw/zinc/26/83/00/558268300.db2.gz MLHMDSIMENHCLQ-UHFFFAOYSA-N 1 1 408.499 1.938 40 0 HDABMO CC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)CC1 ZINC000019935452 558311809 /nfs/dbraw/zinc/31/18/09/558311809.db2.gz BAMLUMKNNSEGFF-UHFFFAOYSA-N 1 1 415.943 1.667 40 0 HDABMO O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2c(=O)[nH]1 ZINC000012362262 558387518 /nfs/dbraw/zinc/38/75/18/558387518.db2.gz BSDDZMSRSQKWKE-HNNXBMFYSA-N 1 1 414.487 1.017 40 0 HDABMO CC1CCN(S(=O)(=O)N2CC[NH+](C[C@@H](O)c3cn(C)c4ccccc34)CC2)CC1 ZINC000019496940 558895927 /nfs/dbraw/zinc/89/59/27/558895927.db2.gz BOZLGDDVIDWWJM-OAQYLSRUSA-N 1 1 420.579 1.806 40 0 HDABMO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccc4nccnc24)C3)C[C@H](C)O1 ZINC000072347299 558944186 /nfs/dbraw/zinc/94/41/86/558944186.db2.gz JJVKGAIXXXFJMT-GJZGRUSLSA-N 1 1 406.490 1.885 40 0 HDABMO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccc4nccnc24)C3)C[C@H](C)O1 ZINC000072347299 558944188 /nfs/dbraw/zinc/94/41/88/558944188.db2.gz JJVKGAIXXXFJMT-GJZGRUSLSA-N 1 1 406.490 1.885 40 0 HDABMO COc1ccccc1N1CCN(C(=O)C[NH+]2CCC(Oc3cnccn3)CC2)CC1 ZINC000019658057 558950048 /nfs/dbraw/zinc/95/00/48/558950048.db2.gz DPKICWBTQUKKLH-UHFFFAOYSA-N 1 1 411.506 1.677 40 0 HDABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CN(S(=O)(=O)c1c(C)noc1C)CC2 ZINC000019710326 558972143 /nfs/dbraw/zinc/97/21/43/558972143.db2.gz FCEFHTKSMBBPIR-AWEZNQCLSA-N 1 1 420.539 1.679 40 0 HDABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CN(S(=O)(=O)c1c(C)noc1C)CC2 ZINC000019710325 558972226 /nfs/dbraw/zinc/97/22/26/558972226.db2.gz FCEFHTKSMBBPIR-CQSZACIVSA-N 1 1 420.539 1.679 40 0 HDABMO Cc1nn(CCC(=O)N2CCC(c3nc4c(c(=O)[nH]3)C[N@@H+](C)CC4)CC2)c(C)c1C ZINC000072398690 558976247 /nfs/dbraw/zinc/97/62/47/558976247.db2.gz QFWUFJYLHMIQLJ-UHFFFAOYSA-N 1 1 412.538 1.676 40 0 HDABMO COc1ncc(C[N@H+]2C[C@H](C(=O)NCc3ccon3)C3(C2)CCOCC3)cc1C ZINC000585101984 559025017 /nfs/dbraw/zinc/02/50/17/559025017.db2.gz QIBPFDLJWJQHMH-GOSISDBHSA-N 1 1 400.479 1.932 40 0 HDABMO COC(=O)[C@H]1CCC[N@@H+]1C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccn1)CC2 ZINC000585103711 559025799 /nfs/dbraw/zinc/02/57/99/559025799.db2.gz ITGKBSJGOJXADQ-IAGOWNOFSA-N 1 1 423.535 1.279 40 0 HDABMO COC(=O)[C@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccn1)CC2 ZINC000585103711 559025801 /nfs/dbraw/zinc/02/58/01/559025801.db2.gz ITGKBSJGOJXADQ-IAGOWNOFSA-N 1 1 423.535 1.279 40 0 HDABMO CCn1cc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCCc3noc(C)n3)C2)cn1 ZINC000585109440 559030453 /nfs/dbraw/zinc/03/04/53/559030453.db2.gz PAQYQQPINNFCQI-KURKYZTESA-N 1 1 402.499 1.180 40 0 HDABMO COCC[N@H+]1CC2(CCN(C(=O)Cc3cccc(F)c3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096144242 559096513 /nfs/dbraw/zinc/09/65/13/559096513.db2.gz RASYJWGNDKVSIX-HSZRJFAPSA-N 1 1 417.525 1.788 40 0 HDABMO COCC[N@H+]1CC2(CCN(C(=O)Cc3ccc(C)cc3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096262745 559106755 /nfs/dbraw/zinc/10/67/55/559106755.db2.gz VRYDXYVAUJDFTL-DEOSSOPVSA-N 1 1 413.562 1.957 40 0 HDABMO CN(C)c1ncncc1N1CC[C@@](O)(C[N@@H+](C)Cc2ccc(OCCCO)cc2)C1 ZINC000585269866 559116062 /nfs/dbraw/zinc/11/60/62/559116062.db2.gz NRWFWZMWDCPGIS-JOCHJYFZSA-N 1 1 415.538 1.377 40 0 HDABMO C[N@@H+](Cc1ccc(OCCOCCO)cc1)C[C@]1(O)CCCN(c2cnccn2)C1 ZINC000585269842 559116101 /nfs/dbraw/zinc/11/61/01/559116101.db2.gz LYNAPJIYZNZHJE-JOCHJYFZSA-N 1 1 416.522 1.328 40 0 HDABMO CN(C)c1ncncc1N1CC[C@@](O)(C[N@@H+](C)Cc2ccc(OCCF)cc2)C1 ZINC000585270277 559116332 /nfs/dbraw/zinc/11/63/32/559116332.db2.gz SNHTYZILSODCJE-OAQYLSRUSA-N 1 1 403.502 1.964 40 0 HDABMO CN(C)c1ncncc1N1CC[C@](O)(C[N@@H+](C)Cc2ccc(OCCF)cc2)C1 ZINC000585270276 559116362 /nfs/dbraw/zinc/11/63/62/559116362.db2.gz SNHTYZILSODCJE-NRFANRHFSA-N 1 1 403.502 1.964 40 0 HDABMO CCOC(=O)N1CCC(O)(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585281747 559119412 /nfs/dbraw/zinc/11/94/12/559119412.db2.gz AKTVAVDYBGIPLQ-UGKGYDQZSA-N 1 1 422.522 1.155 40 0 HDABMO COCC(=O)N1CC[N@H+](C2CCOCC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585283197 559120529 /nfs/dbraw/zinc/12/05/29/559120529.db2.gz QXLBGGMNSRNYIM-HXUWFJFHSA-N 1 1 414.449 1.044 40 0 HDABMO COc1ccccc1CN1CC2(C1)CN(C(=O)c1cccnc1)C[C@@H]1C[C@@H](O)C[N@H+]12 ZINC000514290008 560030733 /nfs/dbraw/zinc/03/07/33/560030733.db2.gz QXPWEVLUVQYGQN-VQTJNVASSA-N 1 1 408.502 1.236 40 0 biogenic,in-vitro HDABMO COc1ccccc1CN1CC2(C1)CN(C(=O)c1cccnc1)C[C@@H]1C[C@@H](O)C[N@@H+]12 ZINC000514290008 560030734 /nfs/dbraw/zinc/03/07/34/560030734.db2.gz QXPWEVLUVQYGQN-VQTJNVASSA-N 1 1 408.502 1.236 40 0 biogenic,in-vitro HDABMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)Cc2ccccc2)cc1 ZINC000409003965 560665051 /nfs/dbraw/zinc/66/50/51/560665051.db2.gz MWIXKJVFYNNESV-UHFFFAOYSA-N 1 1 401.532 1.960 40 0 HDABMO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000016021964 560858140 /nfs/dbraw/zinc/85/81/40/560858140.db2.gz KYBSGTWCHDEYMC-CGVASQHOSA-N 1 1 405.882 1.548 40 0 HDABMO COc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CC[NH+](C)CC2)cc1OC ZINC000019589841 560874784 /nfs/dbraw/zinc/87/47/84/560874784.db2.gz JGFALOZXRRBWSF-QFBILLFUSA-N 1 1 402.499 1.206 40 0 HDABMO COc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](C)CC2)cc1OC ZINC000019589843 560874796 /nfs/dbraw/zinc/87/47/96/560874796.db2.gz JGFALOZXRRBWSF-VQIMIIECSA-N 1 1 402.499 1.206 40 0 HDABMO Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CN3CC[NH+](C)CC3)[C@H]2C(C)C)cc1 ZINC000022586970 568487168 /nfs/dbraw/zinc/48/71/68/568487168.db2.gz YVRKSASVDNOERW-OAQYLSRUSA-N 1 1 422.595 1.448 40 0 HDABMO NC(=O)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000027074517 568564680 /nfs/dbraw/zinc/56/46/80/568564680.db2.gz STSYHFSOMPQGNX-VNTMZGSJSA-N 1 1 417.421 1.459 40 0 HDABMO NC(=O)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000027074517 568564683 /nfs/dbraw/zinc/56/46/83/568564683.db2.gz STSYHFSOMPQGNX-VNTMZGSJSA-N 1 1 417.421 1.459 40 0 HDABMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N1CC[NH+](C)CC1 ZINC000224640590 568589905 /nfs/dbraw/zinc/58/99/05/568589905.db2.gz OAHBUHAUZFSNTB-UHFFFAOYSA-N 1 1 409.552 1.576 40 0 HDABMO Cc1ccc2c(c1)[C@@]1([NH2+][C@H]([C@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015969761 568742462 /nfs/dbraw/zinc/74/24/62/568742462.db2.gz ZLFRPPKFEDWYLX-BTRAQTFYSA-N 1 1 419.481 1.339 40 0 HDABMO CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000260890739 568743038 /nfs/dbraw/zinc/74/30/38/568743038.db2.gz QTNXZUQQUXBABV-IBGZPJMESA-N 1 1 409.552 1.197 40 0 HDABMO CC(=O)N[C@]12C[N@H+](C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)Nc1c(C)n[nH]c1C)C2 ZINC000257208132 568778605 /nfs/dbraw/zinc/77/86/05/568778605.db2.gz BKWXZASNJHJCJG-PTUXOGIPSA-N 1 1 424.549 1.849 40 0 HDABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccccc2N2CCOCC2)C1 ZINC000257245388 568789013 /nfs/dbraw/zinc/78/90/13/568789013.db2.gz IPGQWBHDVPDBQT-QHCPKHFHSA-N 1 1 423.517 1.376 40 0 HDABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccccc2N2CCOCC2)C1 ZINC000257245388 568789015 /nfs/dbraw/zinc/78/90/15/568789015.db2.gz IPGQWBHDVPDBQT-QHCPKHFHSA-N 1 1 423.517 1.376 40 0 HDABMO CC(C)Cc1nc2ccccc2n1CC(=O)N[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257325141 568811955 /nfs/dbraw/zinc/81/19/55/568811955.db2.gz WRQTYXYWMIBFAU-SFGWALBWSA-N 1 1 400.523 1.575 40 0 HDABMO COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccc(C)nc3)[C@H]([N@@H+](C)CCO)[C@H]2O)c1 ZINC000257333831 568814226 /nfs/dbraw/zinc/81/42/26/568814226.db2.gz YDGDHNYCYWCBNP-CGXNFDGLSA-N 1 1 415.490 1.002 40 0 HDABMO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCC(O)CC1)c1ccccn1 ZINC000257343192 568817072 /nfs/dbraw/zinc/81/70/72/568817072.db2.gz ZRWCGFOBWLAPQF-CGXNFDGLSA-N 1 1 415.465 1.357 40 0 HDABMO O=C(NCc1cccnc1)[C@@H]1C[N@@H+](CC2CC2)C[C@@]2(CCN(C(=O)C3CCC3)C2)O1 ZINC000306127494 568890460 /nfs/dbraw/zinc/89/04/60/568890460.db2.gz FZYHSISUSURUTN-NZQKXSOJSA-N 1 1 412.534 1.580 40 0 HDABMO COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CC[N@@H+](Cc4cccs4)C2)C3)cc1 ZINC000306128209 568890985 /nfs/dbraw/zinc/89/09/85/568890985.db2.gz GUJMSZNAUFXSAO-JOCHJYFZSA-N 1 1 424.526 1.972 40 0 HDABMO C[N@H+]1C[C@@H](C(=O)NCc2cccs2)OC2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000306130497 568892960 /nfs/dbraw/zinc/89/29/60/568892960.db2.gz JIIYCXLTKMWWJR-KRWDZBQOSA-N 1 1 403.504 1.963 40 0 HDABMO COc1ncccc1C[N@H+]1C[C@@H]2Cn3c(nn(Cc4ccc(C)cc4)c(=O)c3=O)[C@@H]2C1 ZINC000306137044 568898929 /nfs/dbraw/zinc/89/89/29/568898929.db2.gz QJZVRTKEZVTWBV-RTBURBONSA-N 1 1 419.485 1.395 40 0 HDABMO COc1ncccc1C[N@H+]1C[C@@H]2Cn3c(nn(Cc4ccc(C)cc4)c(=O)c3=O)[C@H]2C1 ZINC000306137041 568899011 /nfs/dbraw/zinc/89/90/11/568899011.db2.gz QJZVRTKEZVTWBV-MOPGFXCFSA-N 1 1 419.485 1.395 40 0 HDABMO Cc1ccnc(C(=O)N2CCc3nc4n(c(=O)c3C2)CC[C@]42CC[N@@H+](CC3CC3)C2)c1 ZINC000306137831 568899586 /nfs/dbraw/zinc/89/95/86/568899586.db2.gz RHRIZDCQDWRGAG-DEOSSOPVSA-N 1 1 419.529 1.902 40 0 HDABMO CC(C)c1nc(N[C@@H](C)CO)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]1 ZINC000328972156 568970754 /nfs/dbraw/zinc/97/07/54/568970754.db2.gz DUKWWFBYGNOOQI-ZDUSSCGKSA-N 1 1 405.524 1.603 40 0 HDABMO COC[C@H]1CCC[N@H+]1[C@H]1[C@@H](CNC(=O)Nc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000020465319 575367863 /nfs/dbraw/zinc/36/78/63/575367863.db2.gz ZEHQWJUCTKNDFK-DFBDCSAJSA-N 1 1 413.902 1.062 40 0 biogenic,in-vitro HDABMO COCCNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[N@@H+](C)CCc1ccccn1 ZINC000067870731 291195337 /nfs/dbraw/zinc/19/53/37/291195337.db2.gz RAJNKHJPKCWAGU-CMKODMSKSA-N 1 1 405.612 1.377 40 0 biogenic,in-vitro HDABMO Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](C4CCC(F)(F)CC4)C3)C2=O)o1 ZINC000225398825 291198591 /nfs/dbraw/zinc/19/85/91/291198591.db2.gz KWYSOLKTNJGCNK-WBVHZDCISA-N 1 1 423.460 1.524 40 0 biogenic,in-vitro HDABMO O=C(Nc1nccs1)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1 ZINC000008299739 291200614 /nfs/dbraw/zinc/20/06/14/291200614.db2.gz QIINWWJVPVEKHE-ZNMIVQPWSA-N 1 1 402.524 1.845 40 0 biogenic,in-vitro HDABMO O=C([C@@H]1CCC(=O)NC(=O)N1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000019346464 132467050 /nfs/dbraw/zinc/46/70/50/132467050.db2.gz HEMHIEMIWZFADJ-AWEZNQCLSA-N 1 1 401.854 1.525 40 0 HDABMO O=C(COc1ccc(I)cc1)NCCC[NH+]1CCOCC1 ZINC000045162520 526963252 /nfs/dbraw/zinc/96/32/52/526963252.db2.gz YTCKVZIIGANLHE-UHFFFAOYSA-N 1 1 404.248 1.509 40 0 HDABMO O=c1c2c(ccn1CCC[NH+]1CCOCC1)nc1ncnn1c2-c1ccc(F)cc1 ZINC000040398311 527456494 /nfs/dbraw/zinc/45/64/94/527456494.db2.gz VRURZYXCONAIMC-UHFFFAOYSA-N 1 1 408.437 1.968 40 0 HDABMO O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000035311632 557687619 /nfs/dbraw/zinc/68/76/19/557687619.db2.gz BWYAQCPZWIXFLR-UHFFFAOYSA-N 1 1 413.565 1.376 40 0 HDABMO CC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)CC1 ZINC000408700655 557718765 /nfs/dbraw/zinc/71/87/65/557718765.db2.gz JTSIMJVWARBTNH-UHFFFAOYSA-N 1 1 409.552 1.894 40 0 HDABMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)CC1 ZINC000408713479 557750224 /nfs/dbraw/zinc/75/02/24/557750224.db2.gz AXVSLGDGRMMBEE-OAHLLOKOSA-N 1 1 413.515 1.399 40 0 HDABMO COCCn1c2nc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)ccc2c(=O)n(C)c1=O ZINC000019743069 558263533 /nfs/dbraw/zinc/26/35/33/558263533.db2.gz HVRLZUXCISDJRU-MRXNPFEDSA-N 1 1 409.490 1.516 40 0 HDABMO Cc1[nH+]ccn1CCC(=O)N[C@H]1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000019749526 558269057 /nfs/dbraw/zinc/26/90/57/558269057.db2.gz LXHRXIHCOOTETE-IBGZPJMESA-N 1 1 418.519 1.406 40 0 HDABMO C[N@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)c2)C1 ZINC000019750979 558271003 /nfs/dbraw/zinc/27/10/03/558271003.db2.gz UNUSIWHFDDNUBD-SFHVURJKSA-N 1 1 400.454 1.128 40 0 HDABMO C[N@H+]1CCC[C@@H](NC(=O)Cn2cc(C(=O)NCc3ccc(F)cc3)ccc2=O)C1 ZINC000019751295 558271304 /nfs/dbraw/zinc/27/13/04/558271304.db2.gz FPCMCTPTAFKHHC-GOSISDBHSA-N 1 1 400.454 1.128 40 0 HDABMO C[NH+]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)CCC(N)=O)C3)nc3ccccc32)CC1 ZINC000019761089 558276312 /nfs/dbraw/zinc/27/63/12/558276312.db2.gz OLWPUUYVIQYGGI-MRXNPFEDSA-N 1 1 423.517 1.204 40 0 HDABMO CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020245665 558351373 /nfs/dbraw/zinc/35/13/73/558351373.db2.gz BOFAUKAUMRBMRA-UHFFFAOYSA-N 1 1 416.547 1.887 40 0 HDABMO Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000022829919 558515393 /nfs/dbraw/zinc/51/53/93/558515393.db2.gz BUBKQRTTXYTCLN-UHFFFAOYSA-N 1 1 408.568 1.147 40 0 HDABMO Cc1ccc(C)c(N([C@H](C)C(=O)NCCC[NH+]2CCN(C)CC2)S(C)(=O)=O)c1 ZINC000022933335 558525187 /nfs/dbraw/zinc/52/51/87/558525187.db2.gz JSCMKKYHDHERAJ-GOSISDBHSA-N 1 1 410.584 1.212 40 0 HDABMO COc1cc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)ccc1OCC(N)=O ZINC000019550191 558914988 /nfs/dbraw/zinc/91/49/88/558914988.db2.gz QSKXOLBHJXUDGK-UHFFFAOYSA-N 1 1 421.457 1.263 40 0 HDABMO COc1cc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)ccc1OCC(N)=O ZINC000019550191 558914989 /nfs/dbraw/zinc/91/49/89/558914989.db2.gz QSKXOLBHJXUDGK-UHFFFAOYSA-N 1 1 421.457 1.263 40 0 HDABMO Cc1nonc1CN(C)C(=O)C[N@@H+]1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019559114 558920534 /nfs/dbraw/zinc/92/05/34/558920534.db2.gz WKVZDUOPGZTWKK-INIZCTEOSA-N 1 1 414.510 1.499 40 0 HDABMO Cc1nonc1CN(C)C(=O)C[N@H+]1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019559114 558920537 /nfs/dbraw/zinc/92/05/37/558920537.db2.gz WKVZDUOPGZTWKK-INIZCTEOSA-N 1 1 414.510 1.499 40 0 HDABMO Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@@H](C)C(=O)N3CC[NH+](C)CC3)CC1)NC2=O ZINC000072327907 558934138 /nfs/dbraw/zinc/93/41/38/558934138.db2.gz QLRVXDQUYCUFOY-AOMKIAJQSA-N 1 1 413.522 1.022 40 0 HDABMO Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@H](C)C(=O)N3CC[NH+](C)CC3)CC1)NC2=O ZINC000072327909 558934178 /nfs/dbraw/zinc/93/41/78/558934178.db2.gz QLRVXDQUYCUFOY-ZHRRBRCNSA-N 1 1 413.522 1.022 40 0 HDABMO COC(=O)[C@]1(CC(=O)N2CCOCC2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340218 558939112 /nfs/dbraw/zinc/93/91/12/558939112.db2.gz KJDBQUHOXWHVNH-FGSXEWAUSA-N 1 1 418.465 1.540 40 0 HDABMO COC(=O)[C@]1(CC(=O)N2CCOCC2)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1 ZINC000072340218 558939114 /nfs/dbraw/zinc/93/91/14/558939114.db2.gz KJDBQUHOXWHVNH-FGSXEWAUSA-N 1 1 418.465 1.540 40 0 HDABMO CN(CCc1ccncc1)C(=O)C[N@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019586281 558939459 /nfs/dbraw/zinc/93/94/59/558939459.db2.gz QYWYLUGZQOIIDR-LJQANCHMSA-N 1 1 409.534 1.855 40 0 HDABMO C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)c4ccc5c(c4)OCCO5)C3)[nH]c(=O)c2C1 ZINC000019590267 558940972 /nfs/dbraw/zinc/94/09/72/558940972.db2.gz HUPLNJSCWWRAJN-OAHLLOKOSA-N 1 1 410.474 1.961 40 0 HDABMO COCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019593509 558944646 /nfs/dbraw/zinc/94/46/46/558944646.db2.gz GQQJWWXJUTVJOM-RTBURBONSA-N 1 1 410.522 1.450 40 0 HDABMO COCCOc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)cc1 ZINC000019593732 558944956 /nfs/dbraw/zinc/94/49/56/558944956.db2.gz LUVQDACJHFBFCG-UHFFFAOYSA-N 1 1 414.506 1.645 40 0 HDABMO COC[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)CC[N@@H+](CCc2ccccc2)C1 ZINC000072354517 558951721 /nfs/dbraw/zinc/95/17/21/558951721.db2.gz TYTWZKDNXAGMDI-NRFANRHFSA-N 1 1 401.551 1.894 40 0 HDABMO CNc1nc(C2CCN(C(=O)c3c(C)cc(C)n(C)c3=O)CC2)nc2c1CC[N@H+](C)C2 ZINC000019710898 558973180 /nfs/dbraw/zinc/97/31/80/558973180.db2.gz VJDUMDKRRADWAZ-UHFFFAOYSA-N 1 1 424.549 1.842 40 0 HDABMO CNc1nc(C2CCN(C(=O)c3c(C)cc(C)n(C)c3=O)CC2)nc2c1CC[N@@H+](C)C2 ZINC000019710898 558973182 /nfs/dbraw/zinc/97/31/82/558973182.db2.gz VJDUMDKRRADWAZ-UHFFFAOYSA-N 1 1 424.549 1.842 40 0 HDABMO CC(C)C[N@H+]1CC2(CCN(C(=O)CCc3cncnc3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000585091845 559022938 /nfs/dbraw/zinc/02/29/38/559022938.db2.gz DHIIMDFFQHISJK-QHCPKHFHSA-N 1 1 413.566 1.838 40 0 HDABMO CCCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000585106215 559028533 /nfs/dbraw/zinc/02/85/33/559028533.db2.gz DYDGIFHYTIKRDL-MOPGFXCFSA-N 1 1 421.563 1.696 40 0 HDABMO CCOC(=O)[C@@H]1CN2CCN(C(=O)C3(F)CCC3)C[C@@H]2C[N@H+](Cc2ccco2)C1 ZINC000585108163 559029868 /nfs/dbraw/zinc/02/98/68/559029868.db2.gz JMVYFQQWRHDUNM-IRXDYDNUSA-N 1 1 407.486 1.680 40 0 HDABMO CCOC(=O)[C@@H]1CN2CCN(C(=O)C3(F)CCC3)C[C@@H]2C[N@@H+](Cc2ccco2)C1 ZINC000585108163 559029869 /nfs/dbraw/zinc/02/98/69/559029869.db2.gz JMVYFQQWRHDUNM-IRXDYDNUSA-N 1 1 407.486 1.680 40 0 HDABMO COCC[N@H+]1C[C@@H]2C(=O)N(C)C3(CCN(S(=O)(=O)c4cccc(C)c4)CC3)[C@@H]2C1 ZINC000096143545 559096060 /nfs/dbraw/zinc/09/60/60/559096060.db2.gz AZAHXUAVELUXAS-RBUKOAKNSA-N 1 1 421.563 1.185 40 0 HDABMO C[N@H+]1CCCN(C(=O)c2nc(-c3cn(-c4ncccn4)cn3)n3ccccc23)CC1 ZINC000096155076 559099357 /nfs/dbraw/zinc/09/93/57/559099357.db2.gz YFEVDRMCBWRUAJ-UHFFFAOYSA-N 1 1 402.462 1.755 40 0 HDABMO CC[NH+](CC)CCNC(=O)c1ccc2nnc([C@H]3CN(CC4CC4)CCN3C)n2c1 ZINC000096156618 559100532 /nfs/dbraw/zinc/10/05/32/559100532.db2.gz SUEQPUCAHBNXKK-LJQANCHMSA-N 1 1 413.570 1.499 40 0 HDABMO COc1cccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCCOCCO)cc2)c1 ZINC000585269707 559116011 /nfs/dbraw/zinc/11/60/11/559116011.db2.gz IHIGEBYTULLREG-IBGZPJMESA-N 1 1 405.491 1.955 40 0 HDABMO CCOC(=O)N1CCC(O)(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cccc(C)c3)C2)CC1 ZINC000585284248 559121017 /nfs/dbraw/zinc/12/10/17/559121017.db2.gz WEHDRTGNCRMZFL-UGKGYDQZSA-N 1 1 422.522 1.155 40 0 HDABMO O=C1CCCN1CCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)cc1 ZINC000257244190 559284195 /nfs/dbraw/zinc/28/41/95/559284195.db2.gz IKHCGBBOGPTLDG-PMACEKPBSA-N 1 1 423.504 1.964 40 0 HDABMO O=C1CCCN1CCOc1ccc(CN2C[C@H](O)[C@@H]([NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000257244190 559284197 /nfs/dbraw/zinc/28/41/97/559284197.db2.gz IKHCGBBOGPTLDG-PMACEKPBSA-N 1 1 423.504 1.964 40 0 HDABMO CCOCCOc1ccc(C[N@@H+]2CC[C@@](O)(CN3CCC(NC(C)=O)CC3)C2)cc1 ZINC000257253444 559284622 /nfs/dbraw/zinc/28/46/22/559284622.db2.gz JYYKFJQIMRTWGO-HSZRJFAPSA-N 1 1 419.566 1.639 40 0 HDABMO CCOCCOc1ccc(C[N@H+]2CC[C@@](O)(CN3CCC(NC(C)=O)CC3)C2)cc1 ZINC000257253444 559284624 /nfs/dbraw/zinc/28/46/24/559284624.db2.gz JYYKFJQIMRTWGO-HSZRJFAPSA-N 1 1 419.566 1.639 40 0 HDABMO C[NH+]1CCN(N2CN=C3N[C@@H](c4ccccc4)n4c5ccccc5nc4N3C2)CC1 ZINC000019171495 560872404 /nfs/dbraw/zinc/87/24/04/560872404.db2.gz UHFUSNVKAWAOJB-HXUWFJFHSA-N 1 1 402.506 1.742 40 0 HDABMO COc1ccccc1[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CC[NH+](C)CC1 ZINC000019589949 560874516 /nfs/dbraw/zinc/87/45/16/560874516.db2.gz VDVPGBGURFZRQO-OAQYLSRUSA-N 1 1 422.489 1.796 40 0 HDABMO CC(C)[C@H]([NH2+][C@H]1C=CS(=O)(=O)C1)C(=O)N[C@@H]1CCC(=O)N[C@H]1[C@H]1CC=CCC1 ZINC000057796773 568497617 /nfs/dbraw/zinc/49/76/17/568497617.db2.gz HAQXXJMSILHTMN-KWWJQKEASA-N 1 1 409.552 1.031 40 0 HDABMO CS(=O)(=O)c1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000224752355 568595136 /nfs/dbraw/zinc/59/51/36/568595136.db2.gz MINXVSURQDIMBO-UHFFFAOYSA-N 1 1 424.544 1.401 40 0 HDABMO CN(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(=O)(=O)c1ccccc1 ZINC000224755452 568595566 /nfs/dbraw/zinc/59/55/66/568595566.db2.gz LYGNUHIGANBTBU-UHFFFAOYSA-N 1 1 417.531 1.456 40 0 HDABMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1CN(C)S(=O)(=O)c1ccccc1 ZINC000224772499 568596037 /nfs/dbraw/zinc/59/60/37/568596037.db2.gz DFLORIXVKFPHSF-UHFFFAOYSA-N 1 1 417.531 1.904 40 0 HDABMO COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000225777868 568673886 /nfs/dbraw/zinc/67/38/86/568673886.db2.gz TZTDKEXBNLXSIZ-SILNSSARSA-N 1 1 413.474 1.898 40 0 HDABMO Cc1ccc2c(c1)[C@@]1([NH2+][C@@H]([C@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015969757 568738961 /nfs/dbraw/zinc/73/89/61/568738961.db2.gz ZLFRPPKFEDWYLX-FXQNUBSFSA-N 1 1 419.481 1.339 40 0 HDABMO Cn1nc(C[N@@H+]2CCOC[C@@]3(CC[C@H](CN4CCOCC4)O3)C2)c2ccccc21 ZINC000248023904 568747152 /nfs/dbraw/zinc/74/71/52/568747152.db2.gz IXRQVWYQUUYTEU-XMSQKQJNSA-N 1 1 400.523 1.656 40 0 HDABMO Cn1nc(C[N@H+]2CCOC[C@@]3(CC[C@H](CN4CCOCC4)O3)C2)c2ccccc21 ZINC000248023904 568747154 /nfs/dbraw/zinc/74/71/54/568747154.db2.gz IXRQVWYQUUYTEU-XMSQKQJNSA-N 1 1 400.523 1.656 40 0 HDABMO O=C(c1cc(COc2ccc(F)cc2)on1)N1CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257212571 568779740 /nfs/dbraw/zinc/77/97/40/568779740.db2.gz CDZXQRLTPMRJPS-PMACEKPBSA-N 1 1 419.453 1.690 40 0 HDABMO Cc1c(C(=O)N2CC[C@H](O)[C@@H]([NH+]3CCOCC3)CC2)nnn1-c1ccccc1F ZINC000257225945 568783675 /nfs/dbraw/zinc/78/36/75/568783675.db2.gz FIMXRQZOORQPAV-ROUUACIJSA-N 1 1 403.458 1.013 40 0 HDABMO CC(C)(C)C1CC[NH+]([C@@H]2[C@@H](O)[C@H](Oc3ccccc3F)C[C@H]2NC(=O)CN)CC1 ZINC000257290853 568801842 /nfs/dbraw/zinc/80/18/42/568801842.db2.gz QEPQGYAMOLSRSV-LMQGHGSNSA-N 1 1 407.530 1.908 40 0 HDABMO Cc1c(C(=O)N2CC[C@H](O)[C@@H]([NH+]3CCOCC3)CC2)nnn1-c1ccc(Cl)cc1 ZINC000257323634 568811499 /nfs/dbraw/zinc/81/14/99/568811499.db2.gz WLFIOXQVLYNILW-ROUUACIJSA-N 1 1 419.913 1.527 40 0 HDABMO O=S1(=O)NCC2(CC[NH+](Cc3cccnc3)CC2)c2nc(N3CCCC3)ncc21 ZINC000306125432 568888235 /nfs/dbraw/zinc/88/82/35/568888235.db2.gz CQQFKNZIQAOYJF-UHFFFAOYSA-N 1 1 414.535 1.298 40 0 HDABMO CN1Cc2nnc(C(=O)NC3CCCCC3)n2C[C@]12CC[N@H+](Cc1nccs1)C2 ZINC000306134928 568897021 /nfs/dbraw/zinc/89/70/21/568897021.db2.gz OBWZMKKZUHVHFF-HXUWFJFHSA-N 1 1 415.567 1.887 40 0 HDABMO CN1Cc2nnc(C(=O)NC3CCCCC3)n2C[C@]12CC[N@@H+](Cc1nccs1)C2 ZINC000306134928 568897023 /nfs/dbraw/zinc/89/70/23/568897023.db2.gz OBWZMKKZUHVHFF-HXUWFJFHSA-N 1 1 415.567 1.887 40 0 HDABMO COc1cc(N2CC[C@@]3(C2)C[N@H+](C)C[C@H](C(=O)N(C)Cc2ccccc2)O3)ncn1 ZINC000306135623 568897520 /nfs/dbraw/zinc/89/75/20/568897520.db2.gz OWEQDFLVXQLXFM-GCJKJVERSA-N 1 1 411.506 1.423 40 0 HDABMO COc1cc(N2CC[C@@]3(C2)C[N@@H+](C)C[C@H](C(=O)N(C)Cc2ccccc2)O3)ncn1 ZINC000306135623 568897523 /nfs/dbraw/zinc/89/75/23/568897523.db2.gz OWEQDFLVXQLXFM-GCJKJVERSA-N 1 1 411.506 1.423 40 0 HDABMO COc1ncccc1C[N@H+]1C[C@H]2Cn3c(nn(Cc4ccc(C)cc4)c(=O)c3=O)[C@@H]2C1 ZINC000306137043 568898903 /nfs/dbraw/zinc/89/89/03/568898903.db2.gz QJZVRTKEZVTWBV-RBUKOAKNSA-N 1 1 419.485 1.395 40 0 HDABMO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@]1(CC[N@H+](Cc3ccccn3)C1)C2 ZINC000306137280 568899173 /nfs/dbraw/zinc/89/91/73/568899173.db2.gz QRPUEHZIZNIVHM-QFIPXVFZSA-N 1 1 411.506 1.555 40 0 HDABMO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@]1(CC[N@@H+](Cc3ccccn3)C1)C2 ZINC000306137280 568899175 /nfs/dbraw/zinc/89/91/75/568899175.db2.gz QRPUEHZIZNIVHM-QFIPXVFZSA-N 1 1 411.506 1.555 40 0 HDABMO O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@@]21CC[N@H+](Cc2cccc(F)c2)C1 ZINC000306139510 568901433 /nfs/dbraw/zinc/90/14/33/568901433.db2.gz SZDJWSYQTCYADQ-JOCHJYFZSA-N 1 1 407.449 1.535 40 0 HDABMO Cc1ccc(C(=O)N2CCc3nc4n(c(=O)c3C2)CC[C@]42CC[N@@H+](CC3CC3)C2)nc1 ZINC000306143015 568904623 /nfs/dbraw/zinc/90/46/23/568904623.db2.gz XQZVJWUUAAIVGR-DEOSSOPVSA-N 1 1 419.529 1.902 40 0 HDABMO COc1cccc(/C=C2\SC(=O)N(CC(=O)N3CC[NH+](C)CC3)C2=O)c1OC ZINC000054360979 569072271 /nfs/dbraw/zinc/07/22/71/569072271.db2.gz NTBDHIHDUUGQPG-PTNGSMBKSA-N 1 1 405.476 1.514 40 0 HDABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccc3)c2)CC1 ZINC000008476240 569341372 /nfs/dbraw/zinc/34/13/72/569341372.db2.gz YQAJNXIEVYNPLS-UHFFFAOYSA-N 1 1 417.531 1.951 40 0 HDABMO CC(=O)NCc1ccc([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000019699287 569346937 /nfs/dbraw/zinc/34/69/37/569346937.db2.gz NPQGASCJGVMZGO-YADHBBJMSA-N 1 1 421.545 1.712 40 0 HDABMO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000020465219 575367483 /nfs/dbraw/zinc/36/74/83/575367483.db2.gz VXFSTXAWJBWJOA-IVAOSVALSA-N 1 1 400.450 1.103 40 0 biogenic,in-vitro HDABMO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[N@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000020465219 575367485 /nfs/dbraw/zinc/36/74/85/575367485.db2.gz VXFSTXAWJBWJOA-IVAOSVALSA-N 1 1 400.450 1.103 40 0 biogenic,in-vitro HDABMO CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)Nc3ccccc3)C[N@@H+]21 ZINC000015708664 291192504 /nfs/dbraw/zinc/19/25/04/291192504.db2.gz TUDZMVNJPVMVKL-KSZLIROESA-N 1 1 417.579 1.563 40 0 biogenic,in-vitro HDABMO CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)Nc3ccccc3)C[N@H+]21 ZINC000015708664 291192506 /nfs/dbraw/zinc/19/25/06/291192506.db2.gz TUDZMVNJPVMVKL-KSZLIROESA-N 1 1 417.579 1.563 40 0 biogenic,in-vitro HDABMO C[NH+]1CCC(N2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)Nc2ccccc2)[N@@H+]3C)CC1 ZINC000022923142 291193403 /nfs/dbraw/zinc/19/34/03/291193403.db2.gz MFUQSDAAJZOTCY-VWPQPMDRSA-N 1 1 413.566 1.373 40 0 biogenic,in-vitro HDABMO C[N@@H+](Cc1ccccc1)[C@H]1[C@@H](CNC(=O)c2ccc(F)c(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000030879657 291193409 /nfs/dbraw/zinc/19/34/09/291193409.db2.gz CDJMGIPDLLPMDF-FUMNGEBKSA-N 1 1 422.884 1.830 40 0 biogenic,in-vitro HDABMO C[NH+]1CCN(Cc2nc(C3(O)CCN(C(=O)C4CCOCC4)CC3)cs2)CC1 ZINC000225473297 291193726 /nfs/dbraw/zinc/19/37/26/291193726.db2.gz UQPWTIBEZWMSDU-UHFFFAOYSA-N 1 1 408.568 1.127 40 0 biogenic,in-vitro HDABMO COC[C@H]1CCCN1C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CC[N@H+]2C2CCCCC2)N1C ZINC000035442561 291195581 /nfs/dbraw/zinc/19/55/81/291195581.db2.gz BYCQSSXZJBRFKJ-HIUFNZKISA-N 1 1 420.598 1.610 40 0 biogenic,in-vitro HDABMO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000035375435 557531772 /nfs/dbraw/zinc/53/17/72/557531772.db2.gz OWTVRJFUUJRVCS-HOVBHILQSA-N 1 1 405.882 1.548 40 0 HDABMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)CC1 ZINC000408713514 557750489 /nfs/dbraw/zinc/75/04/89/557750489.db2.gz FKFZQTBLHIJIIQ-UHFFFAOYSA-N 1 1 413.515 1.399 40 0 HDABMO COc1ccccc1NC(=O)[C@@H]1CC(=O)NC(N2CC[NH+](Cc3ccccc3)CC2)=N1 ZINC000019727886 558259233 /nfs/dbraw/zinc/25/92/33/558259233.db2.gz SYYJRSNSROLORP-IBGZPJMESA-N 1 1 421.501 1.696 40 0 HDABMO O=C(Cn1cc(C(=O)NCc2ccccc2)ccc1=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000019751534 558271508 /nfs/dbraw/zinc/27/15/08/558271508.db2.gz BRLZTLSAHPJGNV-HXUWFJFHSA-N 1 1 408.502 1.475 40 0 HDABMO CCn1ccnc1C[NH+]1CCC(Cc2nn(C)cc2C(=O)N2CCOCC2)CC1 ZINC000019756695 558274549 /nfs/dbraw/zinc/27/45/49/558274549.db2.gz DDQDYRYPIHQALP-UHFFFAOYSA-N 1 1 400.527 1.564 40 0 HDABMO O=S(=O)(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc2c(c1)OCCO2 ZINC000047266699 558841964 /nfs/dbraw/zinc/84/19/64/558841964.db2.gz UIPHRLGPLKGFAA-UHFFFAOYSA-N 1 1 404.488 1.769 40 0 HDABMO Cc1ccc([C@@H]2C[N@@H+](CC(=O)N3CCC(C(N)=O)CC3)C[C@H]2c2csnn2)cc1 ZINC000019211960 558848793 /nfs/dbraw/zinc/84/87/93/558848793.db2.gz SKQQFUOXCBQXSN-ZWKOTPCHSA-N 1 1 413.547 1.753 40 0 HDABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CCC(c2cc3nc(N(C)C)ncc3c(=O)[nH]2)CC1 ZINC000019287671 558860960 /nfs/dbraw/zinc/86/09/60/558860960.db2.gz BNLZTWDNFHJZFZ-CQSZACIVSA-N 1 1 423.521 1.931 40 0 HDABMO C[C@@H]1CN(c2nccc([C@@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]3C(=O)N(C)C)n2)C[C@H](C)O1 ZINC000019497720 558896340 /nfs/dbraw/zinc/89/63/40/558896340.db2.gz PSRDKYMVMORKTN-ZWJWXYIHSA-N 1 1 417.554 1.230 40 0 HDABMO CS(=O)(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)[nH]c(=O)c2C1 ZINC000019572720 558930909 /nfs/dbraw/zinc/93/09/09/558930909.db2.gz RXYBMGQIQMHZLQ-OAHLLOKOSA-N 1 1 420.510 1.606 40 0 HDABMO C[NH+](C)CC(=O)N1CCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](C1CCCC1)CC3 ZINC000019581763 558937096 /nfs/dbraw/zinc/93/70/96/558937096.db2.gz GWAFQYUCKBTXDP-LJQANCHMSA-N 1 1 412.538 1.961 40 0 HDABMO C[NH+](C)CC(=O)N1CCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](C1CCCC1)CC3 ZINC000019581766 558937103 /nfs/dbraw/zinc/93/71/03/558937103.db2.gz GWAFQYUCKBTXDP-IBGZPJMESA-N 1 1 412.538 1.961 40 0 HDABMO COCCOc1cccc(C[N@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)c1 ZINC000019593811 558944972 /nfs/dbraw/zinc/94/49/72/558944972.db2.gz XJKJMJUYNHNJDJ-UHFFFAOYSA-N 1 1 407.474 1.853 40 0 HDABMO O=C(c1ccc(F)cc1)N1CC[N@@H+](Cc2ccccc2)C[C@@](O)(Cn2cncn2)C1 ZINC000072354432 558951744 /nfs/dbraw/zinc/95/17/44/558951744.db2.gz PRTRQWJLXQHOFU-QFIPXVFZSA-N 1 1 409.465 1.807 40 0 HDABMO NC(=O)c1cccc(-c2nccnc2[C@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)c1 ZINC000072358538 558954047 /nfs/dbraw/zinc/95/40/47/558954047.db2.gz QLDHABTXZHKPES-SFHVURJKSA-N 1 1 409.490 1.281 40 0 HDABMO NC(=O)c1cccc(-c2nccnc2[C@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)c1 ZINC000072358538 558954050 /nfs/dbraw/zinc/95/40/50/558954050.db2.gz QLDHABTXZHKPES-SFHVURJKSA-N 1 1 409.490 1.281 40 0 HDABMO CNc1nc([C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)nc2c1CC[N@H+](C)C2 ZINC000019707442 558969909 /nfs/dbraw/zinc/96/99/09/558969909.db2.gz MOPDYUULLUWORP-OAHLLOKOSA-N 1 1 406.512 1.637 40 0 HDABMO CNc1nc([C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)nc2c1CC[N@@H+](C)C2 ZINC000019707442 558969910 /nfs/dbraw/zinc/96/99/10/558969910.db2.gz MOPDYUULLUWORP-OAHLLOKOSA-N 1 1 406.512 1.637 40 0 HDABMO C[C@@H]1CC[N@@H+](C[C@H]2CC3(CO2)CCN(S(=O)(=O)c2ccccc2)CC3)C[C@H]1O ZINC000585103797 559025760 /nfs/dbraw/zinc/02/57/60/559025760.db2.gz KDINCNGSWSZECU-QWFCFKBJSA-N 1 1 408.564 1.949 40 0 HDABMO CCOC(=O)[C@@]12C[N@@H+](CCN(C)C)C[C@@H]1CN(C(=O)c1ccnc(F)c1)CCC2 ZINC000585108086 559029873 /nfs/dbraw/zinc/02/98/73/559029873.db2.gz SZODAPFMTHTLFJ-UTKZUKDTSA-N 1 1 406.502 1.500 40 0 HDABMO CCOC(=O)[C@@]12CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c1ccnc(F)c1)CCC2 ZINC000585108086 559029875 /nfs/dbraw/zinc/02/98/75/559029875.db2.gz SZODAPFMTHTLFJ-UTKZUKDTSA-N 1 1 406.502 1.500 40 0 HDABMO Cc1ccoc1C(=O)N1CCC[C@]2(C(=O)N(C)C)C[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC000096083064 559094893 /nfs/dbraw/zinc/09/48/93/559094893.db2.gz CYHLMNASKVPVTM-GCJKJVERSA-N 1 1 413.522 1.764 40 0 HDABMO CC(C)NC(=O)N1CCN(c2ccc3ccc(C(=O)N4CC[NH+](C)CC4)cn32)CC1 ZINC000096091610 559095222 /nfs/dbraw/zinc/09/52/22/559095222.db2.gz AMJISGLVTUKYOE-UHFFFAOYSA-N 1 1 412.538 1.567 40 0 HDABMO CCN1C(=O)[C@H]2C[N@@H+](CCOC)C[C@H]2C12CCN(C(=O)c1cccc(OC)c1)CC2 ZINC000096143612 559095989 /nfs/dbraw/zinc/09/59/89/559095989.db2.gz OYMVTSPRDRAUSF-VQTJNVASSA-N 1 1 415.534 1.727 40 0 HDABMO COC(=O)CCC(=O)N1CCC2(CC[C@@]3(C(=O)N4CCCC4)C[N@@H+](C)C[C@@H]23)CC1 ZINC000096143856 559096241 /nfs/dbraw/zinc/09/62/41/559096241.db2.gz OILUOQXXUSFDGG-HTAPYJJXSA-N 1 1 405.539 1.513 40 0 HDABMO COCCN(C)C(=O)c1ccc2nnc([C@H]3C[N@@H+](CC4CC4)CCN3C(C)C)n2c1 ZINC000096156806 559100689 /nfs/dbraw/zinc/10/06/89/559100689.db2.gz NCEDVUYBPNLQTN-LJQANCHMSA-N 1 1 414.554 1.925 40 0 HDABMO Cc1ccc(S(=O)(=O)N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)cc1 ZINC000096239866 559103513 /nfs/dbraw/zinc/10/35/13/559103513.db2.gz UAIISSSPMYKCSG-UHFFFAOYSA-N 1 1 409.552 1.186 40 0 HDABMO Cc1ccc(S(=O)(=O)N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)cc1 ZINC000096239866 559103515 /nfs/dbraw/zinc/10/35/15/559103515.db2.gz UAIISSSPMYKCSG-UHFFFAOYSA-N 1 1 409.552 1.186 40 0 HDABMO O=C(NC[C@@H]1CCCO1)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3nccs3)CC2)O1 ZINC000096243754 559104939 /nfs/dbraw/zinc/10/49/39/559104939.db2.gz HTJZTVGZDCLTSJ-JKSUJKDBSA-N 1 1 417.535 1.525 40 0 HDABMO Cc1ccc(C(=O)N2CCC[C@]3(C(=O)N(C)C)C[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)o1 ZINC000096251299 559105398 /nfs/dbraw/zinc/10/53/98/559105398.db2.gz IECKCNCIWUDNOR-GCJKJVERSA-N 1 1 413.522 1.764 40 0 HDABMO O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(C[N@@H+](CCO)Cc2ccccc2)C1 ZINC000585290815 559123405 /nfs/dbraw/zinc/12/34/05/559123405.db2.gz FYMURTNEEVFHRT-IRLDBZIGSA-N 1 1 418.921 1.311 40 0 HDABMO C[NH+]1CCN(N2CN=C3N[C@H](c4ccc(F)cc4)n4c5ccccc5nc4N3C2)CC1 ZINC000019171508 560872413 /nfs/dbraw/zinc/87/24/13/560872413.db2.gz QPYXLYSYZLKLJA-FQEVSTJZSA-N 1 1 420.496 1.881 40 0 HDABMO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000220047104 568501699 /nfs/dbraw/zinc/50/16/99/568501699.db2.gz XYYIDABLCFPDDB-UHFFFAOYSA-N 1 1 423.457 1.310 40 0 HDABMO COc1ccccc1N(CCCC(=O)NCCC[NH+]1CCOCC1)S(C)(=O)=O ZINC000222583103 568519299 /nfs/dbraw/zinc/51/92/99/568519299.db2.gz QECGZINFNHFMLS-UHFFFAOYSA-N 1 1 413.540 1.080 40 0 HDABMO CS(=O)(=O)N(CCCC(=O)NCCC[NH+]1CCOCC1)c1ccccc1F ZINC000222657651 568522526 /nfs/dbraw/zinc/52/25/26/568522526.db2.gz YUXRZXMNEOBGAY-UHFFFAOYSA-N 1 1 401.504 1.210 40 0 HDABMO O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224733782 568594204 /nfs/dbraw/zinc/59/42/04/568594204.db2.gz QRLQDPNLCRLOOU-BGYRXZFFSA-N 1 1 411.502 1.476 40 0 HDABMO C[C@@H](O)[C@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000020517849 568624064 /nfs/dbraw/zinc/62/40/64/568624064.db2.gz HFFNPKZIKXFRQU-UBVFDOLUSA-N 1 1 409.417 1.127 40 0 HDABMO CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000225635844 568658915 /nfs/dbraw/zinc/65/89/15/568658915.db2.gz LQHGZMBBLDRGQW-GOSISDBHSA-N 1 1 413.540 1.078 40 0 HDABMO C[C@@H]1CN(c2ncc3c(n2)[C@]2(CC[N@@H+](Cc4ccc(CO)o4)C2)COC3)C[C@H](C)O1 ZINC000253604061 568755021 /nfs/dbraw/zinc/75/50/21/568755021.db2.gz QAGKQZHCTZIBJR-DMPWYTOCSA-N 1 1 414.506 1.849 40 0 HDABMO Cc1ncccc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@@H+](C)CCO ZINC000257204134 568777349 /nfs/dbraw/zinc/77/73/49/568777349.db2.gz ATDQQDQJICZZSU-ZRNYENFQSA-N 1 1 403.454 1.132 40 0 HDABMO CC(=O)N[C@]12CN(CC(=O)Nc3c(C)n[nH]c3C)[C@H](c3ccccc3)[C@H]1CC[N@H+](C)C2 ZINC000257205074 568777681 /nfs/dbraw/zinc/77/76/81/568777681.db2.gz AXNZSUPXZKXYGS-UEVCKROQSA-N 1 1 424.549 1.849 40 0 HDABMO NC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000257216507 568780862 /nfs/dbraw/zinc/78/08/62/568780862.db2.gz CUTXZUJTWIYMLU-HSZRJFAPSA-N 1 1 423.517 1.376 40 0 HDABMO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000257216507 568780863 /nfs/dbraw/zinc/78/08/63/568780863.db2.gz CUTXZUJTWIYMLU-HSZRJFAPSA-N 1 1 423.517 1.376 40 0 HDABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000257231559 568785430 /nfs/dbraw/zinc/78/54/30/568785430.db2.gz GHGIAVRATGQKDS-QHCPKHFHSA-N 1 1 424.501 1.961 40 0 HDABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000257231559 568785431 /nfs/dbraw/zinc/78/54/31/568785431.db2.gz GHGIAVRATGQKDS-QHCPKHFHSA-N 1 1 424.501 1.961 40 0 HDABMO CN(C(=O)c1cc(-c2ccc(F)cc2)n(C)n1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257248005 568789624 /nfs/dbraw/zinc/78/96/24/568789624.db2.gz JBQGGQQEYFRADL-QWFCFKBJSA-N 1 1 402.470 1.522 40 0 HDABMO CN(C(=O)c1nc2cc(Cl)ccc2n1C)[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257253329 568791366 /nfs/dbraw/zinc/79/13/66/568791366.db2.gz JYLKTIISHQIIFW-KZNAEPCWSA-N 1 1 406.914 1.913 40 0 HDABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)COc3ccc(Cl)c(C)c3)[C@H]2O)CC1 ZINC000257284845 568799988 /nfs/dbraw/zinc/79/99/88/568799988.db2.gz PENSIKSVKWBGQQ-SFHLNBCPSA-N 1 1 423.941 1.590 40 0 HDABMO Cc1c(C(=O)N(C)[C@@H]2CCC[C@@H]([NH+]3CCOCC3)[C@@H]2O)nnn1-c1ccc(F)cc1 ZINC000257320729 568810694 /nfs/dbraw/zinc/81/06/94/568810694.db2.gz VYHFKQRNUOFUAW-QWFCFKBJSA-N 1 1 417.485 1.401 40 0 HDABMO Cc1ccc(C[N@H+]2CC[C@]3(CCn4c3nn(Cc3ccccn3)c(=O)c4=O)C2)s1 ZINC000306128380 568891247 /nfs/dbraw/zinc/89/12/47/568891247.db2.gz GYZYWHPFQBNJRX-NRFANRHFSA-N 1 1 409.515 1.766 40 0 HDABMO COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CC[N@@H+](Cc4ccncc4)C2)C3)cc1 ZINC000306128639 568891461 /nfs/dbraw/zinc/89/14/61/568891461.db2.gz HHDWJDLFOQXFBG-HSZRJFAPSA-N 1 1 419.485 1.305 40 0 HDABMO Cc1nc(C)c(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(N4CCN(C)CC4)nc23)s1 ZINC000306130558 568892906 /nfs/dbraw/zinc/89/29/06/568892906.db2.gz JJSBHZAKLYAYBB-OAQYLSRUSA-N 1 1 414.579 1.976 40 0 HDABMO Cn1cc(CN2Cc3cnc(N4CCOCC4)nc3[C@@]3(CC[N@@H+](CC4CC4)C3)C2)cn1 ZINC000306133445 568895365 /nfs/dbraw/zinc/89/53/65/568895365.db2.gz MLQGYGSRLOUDEW-HSZRJFAPSA-N 1 1 423.565 1.416 40 0 HDABMO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@]1(CC[N@@H+](Cc3ccco3)C1)C2 ZINC000306135995 568898034 /nfs/dbraw/zinc/89/80/34/568898034.db2.gz PGEPFIOWCYAHFP-NRFANRHFSA-N 1 1 400.479 1.753 40 0 HDABMO O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@]21CC[N@H+](Cc2cccc(F)c2)C1 ZINC000306139511 568901287 /nfs/dbraw/zinc/90/12/87/568901287.db2.gz SZDJWSYQTCYADQ-QFIPXVFZSA-N 1 1 407.449 1.535 40 0 HDABMO CN1Cc2nnc(C(=O)NC3CCCCC3)n2C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000306141163 568902756 /nfs/dbraw/zinc/90/27/56/568902756.db2.gz VMWKGSCUHHXPTC-JOCHJYFZSA-N 1 1 409.538 1.826 40 0 HDABMO CNc1cc(CN(C)C(C)=O)nc(C2CCN(C(=O)C[N@H+]3CCC[C@H](C)C3)CC2)n1 ZINC000019710151 569348163 /nfs/dbraw/zinc/34/81/63/569348163.db2.gz FVWHEUVJBDHCOC-INIZCTEOSA-N 1 1 416.570 1.935 40 0 HDABMO C[N@@H+]1[C@@H]2CCN(Cc3csnn3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)Nc1ccccc1 ZINC000035442487 291194233 /nfs/dbraw/zinc/19/42/33/291194233.db2.gz ZNADEVJVXPGDJQ-SCTDSRPQSA-N 1 1 414.535 1.330 40 0 biogenic,in-vitro HDABMO C[N@H+]1[C@@H]2CCN(Cc3csnn3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)Nc1ccccc1 ZINC000035442487 291194237 /nfs/dbraw/zinc/19/42/37/291194237.db2.gz ZNADEVJVXPGDJQ-SCTDSRPQSA-N 1 1 414.535 1.330 40 0 biogenic,in-vitro HDABMO COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)N4CCOCC4)CCN3C(C)(C)C2)cc1 ZINC000253407129 291196519 /nfs/dbraw/zinc/19/65/19/291196519.db2.gz VPPZMJKREPQQKZ-LJQANCHMSA-N 1 1 402.539 1.728 40 0 biogenic,in-vitro HDABMO COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000408586242 557489222 /nfs/dbraw/zinc/48/92/22/557489222.db2.gz AUTDMKLPOQPFAZ-AWEZNQCLSA-N 1 1 415.943 1.523 40 0 HDABMO C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCCC[NH+]1CCOCC1 ZINC000408587754 557491007 /nfs/dbraw/zinc/49/10/07/557491007.db2.gz CCKGSALONJRXSN-GFCCVEGCSA-N 1 1 424.350 1.499 40 0 HDABMO COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000408590731 557503468 /nfs/dbraw/zinc/50/34/68/557503468.db2.gz KRNUOFNNYDISMK-UHFFFAOYSA-N 1 1 415.943 1.523 40 0 HDABMO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000408627456 557560807 /nfs/dbraw/zinc/56/08/07/557560807.db2.gz ZURDSWDESZPYEP-UHFFFAOYSA-N 1 1 424.350 1.598 40 0 HDABMO C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O ZINC000019750726 558270719 /nfs/dbraw/zinc/27/07/19/558270719.db2.gz CYCDHVOFQTZBDB-KRWDZBQOSA-N 1 1 400.454 1.840 40 0 HDABMO O=C(Cn1cc(C(=O)NCc2ccccc2)ccc1=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000019751537 558271536 /nfs/dbraw/zinc/27/15/36/558271536.db2.gz BRLZTLSAHPJGNV-FQEVSTJZSA-N 1 1 408.502 1.475 40 0 HDABMO CN1CC[NH+](CCCNC(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)CC1 ZINC000022934748 558526089 /nfs/dbraw/zinc/52/60/89/558526089.db2.gz BREWSGUGQLLRLH-UHFFFAOYSA-N 1 1 418.563 1.360 40 0 HDABMO CN1CC[NH+](CCCNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)CC1 ZINC000022934641 558526109 /nfs/dbraw/zinc/52/61/09/558526109.db2.gz RQYIPCYCKIMUQN-UHFFFAOYSA-N 1 1 424.611 1.504 40 0 HDABMO CN(CC(=O)NCCC[NH+]1CCOCC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000016187790 558776378 /nfs/dbraw/zinc/77/63/78/558776378.db2.gz UWPAZWQBSFCOTQ-UHFFFAOYSA-N 1 1 405.520 1.299 40 0 HDABMO CS(=O)(=O)N1C[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)Oc2ccccc21 ZINC000038850817 558818925 /nfs/dbraw/zinc/81/89/25/558818925.db2.gz QQKRPNOMGQRANK-FQEVSTJZSA-N 1 1 415.515 1.558 40 0 HDABMO O=C(C[C@H]1C(=O)NCC[N@H+]1C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000019293570 558865346 /nfs/dbraw/zinc/86/53/46/558865346.db2.gz PBPZWIMERRCVMQ-IBGZPJMESA-N 1 1 416.497 1.243 40 0 HDABMO CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)C[NH+]3CCCC3)[C@]12C ZINC000019449948 558888447 /nfs/dbraw/zinc/88/84/47/558888447.db2.gz XTIQBNFBNSPCNM-NJNPRVFISA-N 1 1 411.506 1.332 40 0 HDABMO C[C@@H]1CN(c2nccc([C@@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C(=O)N(C)C)n2)C[C@H](C)O1 ZINC000019497724 558896347 /nfs/dbraw/zinc/89/63/47/558896347.db2.gz UVWNBTKHBFWNMH-PIKOESSRSA-N 1 1 424.549 1.789 40 0 HDABMO CC[NH+]1CCN(C2CCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)CC2)CC1 ZINC000019528128 558909293 /nfs/dbraw/zinc/90/92/93/558909293.db2.gz IGSIKAZBDMOUEI-UHFFFAOYSA-N 1 1 420.941 1.694 40 0 HDABMO COc1ccc(OC)c(C[N@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)c1 ZINC000019551675 558915614 /nfs/dbraw/zinc/91/56/14/558915614.db2.gz ATHIHEYIMMAPEI-UHFFFAOYSA-N 1 1 400.479 1.225 40 0 HDABMO COc1cccc(NC(=O)C[NH+]2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)c1 ZINC000019565870 558925705 /nfs/dbraw/zinc/92/57/05/558925705.db2.gz WOKDRTIRUPNDFK-UHFFFAOYSA-N 1 1 422.485 1.871 40 0 HDABMO COCc1ccc(OC)c(C[N@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)c1 ZINC000019594368 558945400 /nfs/dbraw/zinc/94/54/00/558945400.db2.gz JYXSKQYAUPFOBT-UHFFFAOYSA-N 1 1 407.474 1.983 40 0 HDABMO Cc1cc(C(=O)NCC[N@H+]2CC[C@@H](c3ccccc3)C2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019662602 558953663 /nfs/dbraw/zinc/95/36/63/558953663.db2.gz VCDQHLJMLZTWHX-MRXNPFEDSA-N 1 1 407.474 1.150 40 0 HDABMO Cc1cc(-c2cnn(C)c2)cc([C@H]2CC[N@@H+](CC(=O)N3CCC(C(N)=O)CC3)C2)n1 ZINC000072374658 558962467 /nfs/dbraw/zinc/96/24/67/558962467.db2.gz ODZAONYQRWUBSS-KRWDZBQOSA-N 1 1 410.522 1.304 40 0 HDABMO CS(=O)(=O)N1CCC(c2ccc(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)cn2)CC1 ZINC000019708079 558970212 /nfs/dbraw/zinc/97/02/12/558970212.db2.gz JGYKVHIXWPXKMH-SFHVURJKSA-N 1 1 406.552 1.531 40 0 HDABMO CS(=O)(=O)N1CCC(c2ccc(C(=O)N3CC[N@H+]4CCCC[C@H]4C3)cn2)CC1 ZINC000019708079 558970215 /nfs/dbraw/zinc/97/02/15/558970215.db2.gz JGYKVHIXWPXKMH-SFHVURJKSA-N 1 1 406.552 1.531 40 0 HDABMO CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccccn2)CC1 ZINC000585106194 559028525 /nfs/dbraw/zinc/02/85/25/559028525.db2.gz BJBBPMHWCDWXGP-BBWFWOEESA-N 1 1 406.552 1.471 40 0 HDABMO COCC[N@H+]1C[C@@H]2C(=O)N(C)C3(CCN(C(=O)CCc4ccccc4C)CC3)[C@@H]2C1 ZINC000096143551 559096001 /nfs/dbraw/zinc/09/60/01/559096001.db2.gz ASWLFOKAKZLXPW-LEWJYISDSA-N 1 1 413.562 1.955 40 0 HDABMO O=C(NC[C@@H]1CCCO1)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3nccs3)CC2)O1 ZINC000096243753 559104850 /nfs/dbraw/zinc/10/48/50/559104850.db2.gz HTJZTVGZDCLTSJ-HOTGVXAUSA-N 1 1 417.535 1.525 40 0 HDABMO C[N@H+]1CC[C@@]2(C(=O)N3CCCC3)CCN(S(=O)(=O)c3cccc(F)c3)CC[C@@H]12 ZINC000096263629 559107229 /nfs/dbraw/zinc/10/72/29/559107229.db2.gz OFQTWTHRTQKVHQ-UYAOXDASSA-N 1 1 409.527 1.923 40 0 HDABMO COCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@@H+](C)Cc1ccccc1 ZINC000585262449 559111022 /nfs/dbraw/zinc/11/10/22/559111022.db2.gz PFUIPCRIFUDUGK-WKDRNLAYSA-N 1 1 402.466 1.970 40 0 HDABMO CC(=O)N1CCC(O)(C[N@H+]2CCOC[C@@](O)(COc3cc(C)cc(C)c3C)C2)CC1 ZINC000585283509 559120659 /nfs/dbraw/zinc/12/06/59/559120659.db2.gz RJIWMFXBIWZNEN-HSZRJFAPSA-N 1 1 420.550 1.427 40 0 HDABMO CN(C)C(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@@H+](C[C@@]2(O)CC[C@H](C(C)(C)C)CC2)C1 ZINC000585283293 559120696 /nfs/dbraw/zinc/12/06/96/559120696.db2.gz NABFOCOQVMSPJA-ABSDTBQOSA-N 1 1 417.616 1.235 40 0 HDABMO CCOC(=O)N1CCC(O)(C[N@H+]2CCOC[C@@](O)(COc3ccccc3C)C2)CC1 ZINC000585285963 559121718 /nfs/dbraw/zinc/12/17/18/559121718.db2.gz FZLGGLQTZXLQJJ-JOCHJYFZSA-N 1 1 422.522 1.421 40 0 HDABMO C[N@@H+](CCc1ccccn1)C[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1O ZINC000585290737 559123428 /nfs/dbraw/zinc/12/34/28/559123428.db2.gz WBYJUYWTGMDZDA-CTNGQTDRSA-N 1 1 403.910 1.386 40 0 HDABMO COCC[N@H+]1CC2(CCN(C(=O)c3ccc(OC)cc3)CC2)[C@@]2(CCNC2=O)C1 ZINC000106068183 559163446 /nfs/dbraw/zinc/16/34/46/559163446.db2.gz ZMHLESSYUAHDOW-QFIPXVFZSA-N 1 1 401.507 1.386 40 0 HDABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 ZINC000260408978 559279187 /nfs/dbraw/zinc/27/91/87/559279187.db2.gz WQSHNBYYXWPXPY-VQIMIIECSA-N 1 1 409.552 1.984 40 0 HDABMO COCCOc1cc(C[N@@H+]2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)ccc1OC ZINC000257231082 559283880 /nfs/dbraw/zinc/28/38/80/559283880.db2.gz GFDPLMGJASPMGD-IRXDYDNUSA-N 1 1 400.466 1.997 40 0 HDABMO COCCOc1cc(C[N@H+]2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)ccc1OC ZINC000257231082 559283881 /nfs/dbraw/zinc/28/38/81/559283881.db2.gz GFDPLMGJASPMGD-IRXDYDNUSA-N 1 1 400.466 1.997 40 0 HDABMO CC(C)C[N@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(S(C)(=O)=O)cc3)C2)C1 ZINC000514288529 560034922 /nfs/dbraw/zinc/03/49/22/560034922.db2.gz BZVWTIUPHNSCNO-RBUKOAKNSA-N 1 1 407.580 1.051 40 0 biogenic,in-vitro HDABMO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000409142927 560684164 /nfs/dbraw/zinc/68/41/64/560684164.db2.gz FQUUONKXHJLGRQ-UHFFFAOYSA-N 1 1 407.923 1.963 40 0 HDABMO CSc1ccc([C@@H]2N=C(N3CC[NH+](CCO)CC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000009289673 560757860 /nfs/dbraw/zinc/75/78/60/560757860.db2.gz NUPFPRBJBZVTIW-GOSISDBHSA-N 1 1 414.535 1.212 40 0 HDABMO COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@@H]([N@@H+]3CCCC[C@@H]3CCO)C2=O)c1 ZINC000017091389 560866268 /nfs/dbraw/zinc/86/62/68/560866268.db2.gz LKEDJYUFPRNTDL-NVXWUHKLSA-N 1 1 418.446 1.129 40 0 HDABMO COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@@H]([N@H+]3CCCC[C@@H]3CCO)C2=O)c1 ZINC000017091389 560866270 /nfs/dbraw/zinc/86/62/70/560866270.db2.gz LKEDJYUFPRNTDL-NVXWUHKLSA-N 1 1 418.446 1.129 40 0 HDABMO CNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000019940491 560877229 /nfs/dbraw/zinc/87/72/29/560877229.db2.gz FUNNJCUCAOKETM-UHFFFAOYSA-N 1 1 418.519 1.285 40 0 HDABMO COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CC[NH+](C)CC1 ZINC000020083326 560880513 /nfs/dbraw/zinc/88/05/13/560880513.db2.gz RSTOSYOKJXRIMK-IBGZPJMESA-N 1 1 411.510 1.115 40 0 HDABMO COCCn1nnnc1[C@@H](c1cc2ccc(C)c(C)c2[nH]c1=O)N1CC[NH+](C)CC1 ZINC000020082799 560880517 /nfs/dbraw/zinc/88/05/17/560880517.db2.gz MJLSQBMXMFUSTJ-LJQANCHMSA-N 1 1 411.510 1.115 40 0 HDABMO COc1cccc(N(CCCC(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)c1 ZINC000222593781 568519682 /nfs/dbraw/zinc/51/96/82/568519682.db2.gz FXQWQJGBJYXHMJ-UHFFFAOYSA-N 1 1 413.540 1.080 40 0 HDABMO CC1CC[NH+](CCCNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)CC1 ZINC000224660199 568591160 /nfs/dbraw/zinc/59/11/60/568591160.db2.gz SZWMYFGYPVLHHE-UHFFFAOYSA-N 1 1 403.574 1.923 40 0 HDABMO C[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)C1 ZINC000224683528 568592110 /nfs/dbraw/zinc/59/21/10/568592110.db2.gz GGAKVSMAALRZFG-LBPRGKRZSA-N 1 1 403.574 1.923 40 0 HDABMO C[C@H]1CCC[N@@H+](CCCNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)C1 ZINC000224683528 568592112 /nfs/dbraw/zinc/59/21/12/568592112.db2.gz GGAKVSMAALRZFG-LBPRGKRZSA-N 1 1 403.574 1.923 40 0 HDABMO CN([C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1)S(C)(=O)=O ZINC000260769579 568738179 /nfs/dbraw/zinc/73/81/79/568738179.db2.gz PMMXSQCQULPQKL-FQEVSTJZSA-N 1 1 401.532 1.964 40 0 HDABMO Cc1cc(C(=O)N2CC[C@@]3(C2)COCc2cnc(N4CC[NH+](C)CC4)nc23)c(C)o1 ZINC000248162498 568748048 /nfs/dbraw/zinc/74/80/48/568748048.db2.gz YHVZJRFISUORQM-JOCHJYFZSA-N 1 1 411.506 1.752 40 0 HDABMO CCn1c2ccc(NC(=O)C[N@@H+]3CCC[C@@](C(N)=O)(c4ccccn4)C3)cc2oc1=O ZINC000257275469 568797220 /nfs/dbraw/zinc/79/72/20/568797220.db2.gz NPNXBVFTEGMPOZ-QFIPXVFZSA-N 1 1 423.473 1.467 40 0 HDABMO CCn1c2ccc(NC(=O)C[N@H+]3CCC[C@@](C(N)=O)(c4ccccn4)C3)cc2oc1=O ZINC000257275469 568797222 /nfs/dbraw/zinc/79/72/22/568797222.db2.gz NPNXBVFTEGMPOZ-QFIPXVFZSA-N 1 1 423.473 1.467 40 0 HDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CC[N@@H+](Cc4cccc(C)c4)C2)C3)cs1 ZINC000306125123 568888010 /nfs/dbraw/zinc/88/80/10/568888010.db2.gz CHTAHIYTBBKJAX-QFIPXVFZSA-N 1 1 423.542 1.975 40 0 HDABMO Cc1ncsc1C[N@H+]1CC[C@]2(CCn3c2nn(Cc2cccs2)c(=O)c3=O)C1 ZINC000306133522 568895647 /nfs/dbraw/zinc/89/56/47/568895647.db2.gz MNVXRFRGQDYCRZ-IBGZPJMESA-N 1 1 415.544 1.827 40 0 HDABMO COCCN1CC[C@@]2(C[N@@H+](Cc3cnn(C)c3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306133955 568896044 /nfs/dbraw/zinc/89/60/44/568896044.db2.gz NAFONLKKVSTRLW-NQIIRXRSSA-N 1 1 400.527 1.662 40 0 HDABMO O=C(NCCC[NH+]1CCOCC1)c1nc(-c2ccnn2CC2CC2)n2ccncc12 ZINC000306134358 568896246 /nfs/dbraw/zinc/89/62/46/568896246.db2.gz NKVHGHGRGPRLON-UHFFFAOYSA-N 1 1 409.494 1.455 40 0 HDABMO COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CC[N@@H+](Cc4ccccn4)C2)C3)cc1 ZINC000306139798 568901526 /nfs/dbraw/zinc/90/15/26/568901526.db2.gz UAWKPKDPYUKJJR-QHCPKHFHSA-N 1 1 419.485 1.305 40 0 HDABMO Cn1cc(C[NH+]2CCC3(CC2)CN(C)C[C@@H](C(=O)NCc2cccs2)O3)cn1 ZINC000306143754 568905256 /nfs/dbraw/zinc/90/52/56/568905256.db2.gz YLJIQPGYDWTHLE-SFHVURJKSA-N 1 1 403.552 1.463 40 0 HDABMO CNc1cc(CN(C)C(C)=O)nc(C2CC[NH+](CC(=O)N3CCC[C@H](C)C3)CC2)n1 ZINC000019710149 569348186 /nfs/dbraw/zinc/34/81/86/569348186.db2.gz CQEVOCIBKHYEQP-INIZCTEOSA-N 1 1 416.570 1.935 40 0 HDABMO COc1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[N@@H+](C)Cc2ccccc2)cc1 ZINC000030879668 291196378 /nfs/dbraw/zinc/19/63/78/291196378.db2.gz YUEVRFNKYDXGSW-IVAOSVALSA-N 1 1 400.475 1.046 40 0 biogenic,in-vitro HDABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccccc3)C[N@@H+]21)Nc1ccccc1 ZINC000015708060 291199413 /nfs/dbraw/zinc/19/94/13/291199413.db2.gz WAAKMAMIKLTEJY-ZCNNSNEGSA-N 1 1 406.486 1.777 40 0 biogenic,in-vitro HDABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccccc3)C[N@H+]21)Nc1ccccc1 ZINC000015708060 291199417 /nfs/dbraw/zinc/19/94/17/291199417.db2.gz WAAKMAMIKLTEJY-ZCNNSNEGSA-N 1 1 406.486 1.777 40 0 biogenic,in-vitro HDABMO CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)cc1C ZINC000408557823 557454597 /nfs/dbraw/zinc/45/45/97/557454597.db2.gz HVYHPJLJDCBEKU-KRWDZBQOSA-N 1 1 409.552 1.568 40 0 HDABMO Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000408591631 557503936 /nfs/dbraw/zinc/50/39/36/557503936.db2.gz JTVPEWFXTPMVEX-FQEVSTJZSA-N 1 1 401.532 1.659 40 0 HDABMO O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000009058862 557821013 /nfs/dbraw/zinc/82/10/13/557821013.db2.gz RIXZPJMVHKAKIZ-NXVBXIDHSA-N 1 1 415.877 1.746 40 0 HDABMO O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000009058862 557821015 /nfs/dbraw/zinc/82/10/15/557821015.db2.gz RIXZPJMVHKAKIZ-NXVBXIDHSA-N 1 1 415.877 1.746 40 0 HDABMO CN(C)C(=O)c1ccc(C2CCN(C(=O)CC[N@@H+](C)Cc3ccccn3)CC2)nc1N ZINC000019752280 558272054 /nfs/dbraw/zinc/27/20/54/558272054.db2.gz KLKDZHFBORHXSO-UHFFFAOYSA-N 1 1 424.549 1.989 40 0 HDABMO C[NH+](C)CCN(C(=O)Cc1csc(-c2ccccn2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000012325583 558383233 /nfs/dbraw/zinc/38/32/33/558383233.db2.gz XKCHCHTVJUEJBN-HNNXBMFYSA-N 1 1 408.549 1.325 40 0 HDABMO C[NH+]1CCN(N2CN=C3N[C@@H](c4cccs4)n4c5ccccc5nc4N3C2)CC1 ZINC000020676342 558400127 /nfs/dbraw/zinc/40/01/27/558400127.db2.gz CHCNYQUZDPRMPV-GOSISDBHSA-N 1 1 408.535 1.803 40 0 HDABMO CC(=O)NCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019021360 558837866 /nfs/dbraw/zinc/83/78/66/558837866.db2.gz KPTTZFCGXPPZRH-LJQANCHMSA-N 1 1 424.505 1.325 40 0 HDABMO CC(=O)NCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019021360 558837869 /nfs/dbraw/zinc/83/78/69/558837869.db2.gz KPTTZFCGXPPZRH-LJQANCHMSA-N 1 1 424.505 1.325 40 0 HDABMO COc1ccc(N2C[C@H](C(=O)N3CCC(O)(Cn4cc[nH+]c4C)CC3)CC2=O)cc1 ZINC000019287820 558861053 /nfs/dbraw/zinc/86/10/53/558861053.db2.gz NGJJOAPZPKEJRA-QGZVFWFLSA-N 1 1 412.490 1.607 40 0 HDABMO CCc1nc(N2CCN(CC(=O)Nc3ccccc3N3CCOCC3)CC2)cc(C)[nH+]1 ZINC000019523156 558904465 /nfs/dbraw/zinc/90/44/65/558904465.db2.gz REGLZTBQXHBLLO-UHFFFAOYSA-N 1 1 424.549 1.945 40 0 HDABMO CCOC(=O)Cn1c(=O)sc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2CCO)c1Cl ZINC000019530558 558911516 /nfs/dbraw/zinc/91/15/16/558911516.db2.gz JNGRLICJVQRHND-OLZOCXBDSA-N 1 1 403.932 1.157 40 0 HDABMO CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCC[N@H+](C4CCCCC4)C3)[nH]c(=O)c2C1 ZINC000019583754 558938104 /nfs/dbraw/zinc/93/81/04/558938104.db2.gz SSQOHTDDYLKACW-OAHLLOKOSA-N 1 1 423.583 1.859 40 0 HDABMO CN(C)C(=O)CN1c2ccccc2C(=O)N[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000072341880 558939998 /nfs/dbraw/zinc/93/99/98/558939998.db2.gz XITVVWPNBSDALV-CYFREDJKSA-N 1 1 420.513 1.742 40 0 HDABMO CC[N@H+]1C[C@@H](COCc2csc(C)n2)[C@]2(CCN(C(=O)c3ncn(C)n3)C2)C1 ZINC000585103134 559026438 /nfs/dbraw/zinc/02/64/38/559026438.db2.gz ROFSHJPJZVXBHY-HNAYVOBHSA-N 1 1 404.540 1.581 40 0 HDABMO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000585106106 559028436 /nfs/dbraw/zinc/02/84/36/559028436.db2.gz MSQOIQDEMYAJOI-QRQLOZEOSA-N 1 1 405.564 1.934 40 0 HDABMO C[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)C1CCOCC1)CC3 ZINC000096036313 559089980 /nfs/dbraw/zinc/08/99/80/559089980.db2.gz CGRGATOFIVWOCJ-WMZHIEFXSA-N 1 1 403.567 1.986 40 0 HDABMO CCN1CC[C@]2(C[N@@H+](Cc3cccnc3)CC23CCN(S(=O)(=O)CC)CC3)C1=O ZINC000096036484 559090365 /nfs/dbraw/zinc/09/03/65/559090365.db2.gz XXIRJRAFEZCCTA-NRFANRHFSA-N 1 1 420.579 1.568 40 0 HDABMO CCOC(=O)[C@@]12CN(S(C)(=O)=O)C[C@@H]1C[N@@H+](Cc1ccc(OC)cc1)CCC2 ZINC000096055996 559093717 /nfs/dbraw/zinc/09/37/17/559093717.db2.gz RGXHTUQOUXBURB-PXNSSMCTSA-N 1 1 410.536 1.732 40 0 HDABMO COCCOc1cc(C[N@@H+](C)C[C@@]2(O)CCCN(c3cnccn3)C2)ccc1OC ZINC000585269928 559116177 /nfs/dbraw/zinc/11/61/77/559116177.db2.gz QDTODJFORVVILC-QFIPXVFZSA-N 1 1 416.522 1.974 40 0 HDABMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)[NH2+][C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000105352718 559162645 /nfs/dbraw/zinc/16/26/45/559162645.db2.gz OWTVRJFUUJRVCS-PORSZAHDSA-N 1 1 405.882 1.548 40 0 HDABMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)[NH2+][C@@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000105352712 559162670 /nfs/dbraw/zinc/16/26/70/559162670.db2.gz OWTVRJFUUJRVCS-IDDDIZRRSA-N 1 1 405.882 1.548 40 0 HDABMO NC(=O)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000049812663 559186214 /nfs/dbraw/zinc/18/62/14/559186214.db2.gz DUKIQHQRTZFDOR-CADBVGFASA-N 1 1 403.394 1.416 40 0 HDABMO NC(=O)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000049812663 559186215 /nfs/dbraw/zinc/18/62/15/559186215.db2.gz DUKIQHQRTZFDOR-CADBVGFASA-N 1 1 403.394 1.416 40 0 HDABMO C[N@@H+](Cc1cccc(CN2CCOCC2)c1)C[C@]1(O)CCCN(c2cnccn2)C1 ZINC000257268605 559285021 /nfs/dbraw/zinc/28/50/21/559285021.db2.gz MMJZZQUTIKBAIU-HSZRJFAPSA-N 1 1 411.550 1.772 40 0 HDABMO O=C(c1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3ccc4c(c3)OCO4)C2)C1 ZINC000514288465 560035114 /nfs/dbraw/zinc/03/51/14/560035114.db2.gz AYCNKAZTLZNKDE-VQTJNVASSA-N 1 1 421.497 1.561 40 0 biogenic,in-vitro HDABMO O=C(c1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3ccc4c(c3)OCO4)C2)C1 ZINC000514288465 560035116 /nfs/dbraw/zinc/03/51/16/560035116.db2.gz AYCNKAZTLZNKDE-VQTJNVASSA-N 1 1 421.497 1.561 40 0 biogenic,in-vitro HDABMO Cc1cc(=O)n2c(n1)NC(N1CC[NH+](CCO)CC1)=N[C@H]2c1ccc(Cl)cc1 ZINC000009289390 560757836 /nfs/dbraw/zinc/75/78/36/560757836.db2.gz VYGOFVZBBZWXIZ-QGZVFWFLSA-N 1 1 402.886 1.143 40 0 HDABMO C[C@@H](O)[C@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015959690 560857742 /nfs/dbraw/zinc/85/77/42/560857742.db2.gz YANRSASOKFLTAR-QBAPKQNRSA-N 1 1 405.454 1.031 40 0 HDABMO Cc1cccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](C)CC3)c(=O)[nH]c12 ZINC000019826366 560875988 /nfs/dbraw/zinc/87/59/88/560875988.db2.gz HIQDDHGPEOKZTG-YLJYHZDGSA-N 1 1 423.521 1.339 40 0 HDABMO CN(c1ccccc1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000224720799 568593678 /nfs/dbraw/zinc/59/36/78/568593678.db2.gz XMIRWFQXYOFKDR-UHFFFAOYSA-N 1 1 417.531 1.845 40 0 HDABMO Cc1ccsc1C(=O)N1CC[C@]2(C1)COCc1cnc(N3CC[NH+](C)CC3)nc12 ZINC000248144430 568747718 /nfs/dbraw/zinc/74/77/18/568747718.db2.gz RMFGUQWGZCWLTM-NRFANRHFSA-N 1 1 413.547 1.912 40 0 HDABMO C[C@@H]1CN(c2ncc3c(n2)[C@@]2(CC[N@@H+](Cc4cccnc4N)C2)COC3)C[C@@H](C)O1 ZINC000253603058 568755066 /nfs/dbraw/zinc/75/50/66/568755066.db2.gz IOXVYOVSVKPCPV-XCGNWRKASA-N 1 1 410.522 1.741 40 0 HDABMO NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000257227319 568784197 /nfs/dbraw/zinc/78/41/97/568784197.db2.gz FOSHBBCFPUGTNB-QFIPXVFZSA-N 1 1 421.545 1.897 40 0 HDABMO NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000257227319 568784198 /nfs/dbraw/zinc/78/41/98/568784198.db2.gz FOSHBBCFPUGTNB-QFIPXVFZSA-N 1 1 421.545 1.897 40 0 HDABMO CC(=O)Nc1cc(NC(=O)C[N@@H+]2CCC[C@](C(N)=O)(c3ccccn3)C2)ccc1C ZINC000257266911 568794773 /nfs/dbraw/zinc/79/47/73/568794773.db2.gz MFDDWVFAFBVDBU-JOCHJYFZSA-N 1 1 409.490 1.806 40 0 HDABMO CC(=O)Nc1cc(NC(=O)C[N@H+]2CCC[C@](C(N)=O)(c3ccccn3)C2)ccc1C ZINC000257266911 568794775 /nfs/dbraw/zinc/79/47/75/568794775.db2.gz MFDDWVFAFBVDBU-JOCHJYFZSA-N 1 1 409.490 1.806 40 0 HDABMO Cn1ccc(NC(=O)CN2CC[N@@H+](Cc3ccccc3)C[C@@H](Cc3cnccn3)C2)n1 ZINC000257279087 568798335 /nfs/dbraw/zinc/79/83/35/568798335.db2.gz OEZGDRVDDWPHES-HXUWFJFHSA-N 1 1 419.533 1.825 40 0 HDABMO Cc1cc2[nH]c(CCC(=O)N3CC[C@H](O)[C@@H]([NH+]4CCOCC4)CC3)nc2c(C)c1 ZINC000257285167 568799943 /nfs/dbraw/zinc/79/99/43/568799943.db2.gz PFXUUBBEKZFASN-OALUTQOASA-N 1 1 400.523 1.796 40 0 HDABMO Cc1nonc1CNC(=O)[C@]1(C)CCCN(C(=O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000257299523 568804160 /nfs/dbraw/zinc/80/41/60/568804160.db2.gz RQKPRXJJXAKCAF-JOCHJYFZSA-N 1 1 411.506 1.681 40 0 HDABMO Cc1nonc1CNC(=O)[C@]1(C)CCCN(C(=O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000257299523 568804163 /nfs/dbraw/zinc/80/41/63/568804163.db2.gz RQKPRXJJXAKCAF-JOCHJYFZSA-N 1 1 411.506 1.681 40 0 HDABMO Cn1c(CCC(=O)N2CC[C@H](O)[C@@H]([NH+]3CCOCC3)CC2)nc2cc(Cl)ccc21 ZINC000257299298 568804212 /nfs/dbraw/zinc/80/42/12/568804212.db2.gz RPLYWWCTJCTMIV-OALUTQOASA-N 1 1 420.941 1.843 40 0 HDABMO CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](N(C)C(=O)COc3c(C)cccc3C)[C@H]2O)CC1 ZINC000257304952 568805964 /nfs/dbraw/zinc/80/59/64/568805964.db2.gz SNVYPTZGNUFJEL-SFHLNBCPSA-N 1 1 403.523 1.197 40 0 HDABMO CC(C)(C)C1CC[NH+]([C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)CN)CC1 ZINC000257337575 568815391 /nfs/dbraw/zinc/81/53/91/568815391.db2.gz YTJOJRCVJWALBX-QCFAMHMHSA-N 1 1 407.530 1.908 40 0 HDABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)c3cc4ccccc4[nH]c3=O)[C@H]2O)CC1 ZINC000257344709 568817340 /nfs/dbraw/zinc/81/73/40/568817340.db2.gz ZYJIJGWJYNRSRN-VAMGGRTRSA-N 1 1 412.490 1.116 40 0 HDABMO COc1ncccc1C[N@H+]1CC[C@]2(Cc3nn(Cc4ccccc4)c(=O)c(=O)n3C2)C1 ZINC000306123704 568886708 /nfs/dbraw/zinc/88/67/08/568886708.db2.gz AUDRJOYFWGFYND-QHCPKHFHSA-N 1 1 419.485 1.305 40 0 HDABMO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CC[N@H+](Cc2nccs2)C1 ZINC000306124343 568887247 /nfs/dbraw/zinc/88/72/47/568887247.db2.gz BNADEJOAKMFHSG-SFHVURJKSA-N 1 1 401.517 1.519 40 0 HDABMO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CC[N@@H+](Cc2nccs2)C1 ZINC000306124343 568887248 /nfs/dbraw/zinc/88/72/48/568887248.db2.gz BNADEJOAKMFHSG-SFHVURJKSA-N 1 1 401.517 1.519 40 0 HDABMO O=C(NCc1cccnc1)[C@H]1C[N@@H+](CC2CC2)C[C@]2(CCN(C(=O)C3CCC3)C2)O1 ZINC000306127495 568890581 /nfs/dbraw/zinc/89/05/81/568890581.db2.gz FZYHSISUSURUTN-OFNKIYASSA-N 1 1 412.534 1.580 40 0 HDABMO COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CC[N@@H+](Cc4ccsc4)C2)C3)cc1 ZINC000306127787 568890639 /nfs/dbraw/zinc/89/06/39/568890639.db2.gz GHNRGKGNFAIIFH-JOCHJYFZSA-N 1 1 424.526 1.972 40 0 HDABMO O=c1c(=O)n2c(nn1CC1CC1)CO[C@@]1(CC[N@@H+](Cc3ccc(Cl)cc3)C1)C2 ZINC000306128983 568891659 /nfs/dbraw/zinc/89/16/59/568891659.db2.gz HQJAQYLIDZEQEM-HXUWFJFHSA-N 1 1 402.882 1.643 40 0 HDABMO O=c1c(=O)n2c(nn1CC1CC1)CO[C@@]1(CC[N@H+](Cc3ccc(Cl)cc3)C1)C2 ZINC000306128983 568891660 /nfs/dbraw/zinc/89/16/60/568891660.db2.gz HQJAQYLIDZEQEM-HXUWFJFHSA-N 1 1 402.882 1.643 40 0 HDABMO Cn1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C)C[C@H](C(=O)NCc2cccs2)O3)n1 ZINC000306137178 568899109 /nfs/dbraw/zinc/89/91/09/568899109.db2.gz QNVAXDJITUINGR-QGZVFWFLSA-N 1 1 417.535 1.103 40 0 HDABMO COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000101501140 569013952 /nfs/dbraw/zinc/01/39/52/569013952.db2.gz BEIQBSSPDGBMLF-CALCHBBNSA-N 1 1 409.552 1.554 40 0 HDABMO COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@H]([N@@H+]3CCCC[C@H]3CCO)C2=O)c1 ZINC000250367623 569286839 /nfs/dbraw/zinc/28/68/39/569286839.db2.gz LKEDJYUFPRNTDL-RDJZCZTQSA-N 1 1 418.446 1.129 40 0 HDABMO COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@H]([N@H+]3CCCC[C@H]3CCO)C2=O)c1 ZINC000250367623 569286840 /nfs/dbraw/zinc/28/68/40/569286840.db2.gz LKEDJYUFPRNTDL-RDJZCZTQSA-N 1 1 418.446 1.129 40 0 HDABMO CN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000019590927 569345811 /nfs/dbraw/zinc/34/58/11/569345811.db2.gz QLTKKQPPIIXFGW-QRWLVFNGSA-N 1 1 422.489 1.096 40 0 HDABMO CN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000019590927 569345812 /nfs/dbraw/zinc/34/58/12/569345812.db2.gz QLTKKQPPIIXFGW-QRWLVFNGSA-N 1 1 422.489 1.096 40 0 HDABMO CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccccc3)C[N@@H+]21 ZINC000015708646 291192487 /nfs/dbraw/zinc/19/24/87/291192487.db2.gz GMFXXKXINOIPSE-KSZLIROESA-N 1 1 401.511 1.398 40 0 biogenic,in-vitro HDABMO CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccccc3)C[N@H+]21 ZINC000015708646 291192488 /nfs/dbraw/zinc/19/24/88/291192488.db2.gz GMFXXKXINOIPSE-KSZLIROESA-N 1 1 401.511 1.398 40 0 biogenic,in-vitro HDABMO O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000100207755 557271301 /nfs/dbraw/zinc/27/13/01/557271301.db2.gz BIFWRLIMBVQLOC-ALIIGJLFSA-N 1 1 417.421 1.847 40 0 HDABMO CC[NH+]1CCN([C@H](c2nnnn2C[C@H]2CCCO2)c2cc(OC)ccc2OC)CC1 ZINC000035292428 557677575 /nfs/dbraw/zinc/67/75/75/557677575.db2.gz CNNSGOKDLQCJIO-XLIONFOSSA-N 1 1 416.526 1.596 40 0 HDABMO COCCn1c2nc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)ccc2c(=O)n(C)c1=O ZINC000019743057 558263622 /nfs/dbraw/zinc/26/36/22/558263622.db2.gz YXRMCCKPAJXRCH-QGZVFWFLSA-N 1 1 409.490 1.516 40 0 HDABMO C[N@@H+]1CCN(C(=O)c2cccn(CC(=O)N3CCCC3)c2=O)[C@H](c2ccccc2)C1 ZINC000019750085 558270359 /nfs/dbraw/zinc/27/03/59/558270359.db2.gz WAJQEWIHEJBLAK-FQEVSTJZSA-N 1 1 408.502 1.600 40 0 HDABMO C[N@H+]1CCN(C(=O)c2cccn(CC(=O)N3CCCC3)c2=O)[C@H](c2ccccc2)C1 ZINC000019750085 558270361 /nfs/dbraw/zinc/27/03/61/558270361.db2.gz WAJQEWIHEJBLAK-FQEVSTJZSA-N 1 1 408.502 1.600 40 0 HDABMO C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc(C(=O)Nc2ccc(F)cc2)ccc1=O ZINC000019751373 558271241 /nfs/dbraw/zinc/27/12/41/558271241.db2.gz JVYVUTPDKGCNQM-GOSISDBHSA-N 1 1 400.454 1.840 40 0 HDABMO CCN(CC(=O)N1CC[NH+](CC)CC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930308 558309939 /nfs/dbraw/zinc/30/99/39/558309939.db2.gz FOQGJCVLQKHNIL-UHFFFAOYSA-N 1 1 403.932 1.523 40 0 HDABMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000022247037 558472272 /nfs/dbraw/zinc/47/22/72/558472272.db2.gz XDFKIJQBAISYLZ-LJQANCHMSA-N 1 1 405.495 1.489 40 0 HDABMO Cc1ccc(N(CCCC(=O)NCCC[NH+]2CCN(C)CC2)S(C)(=O)=O)cc1C ZINC000022934940 558526132 /nfs/dbraw/zinc/52/61/32/558526132.db2.gz CKQHHYYXEKETAN-UHFFFAOYSA-N 1 1 424.611 1.603 40 0 HDABMO CN1CCN(C(=O)CC23CC4CC(C2)CC(CC(=O)N2CC[NH+](C)CC2)(C4)C3)CC1 ZINC000036625129 558800201 /nfs/dbraw/zinc/80/02/01/558800201.db2.gz IOSYPPKXENNHLH-UHFFFAOYSA-N 1 1 416.610 1.901 40 0 HDABMO CCN(CC(=O)NCCC[NH+]1CCOCC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000039985999 558823701 /nfs/dbraw/zinc/82/37/01/558823701.db2.gz XPEVQBLIXWJRCC-UHFFFAOYSA-N 1 1 419.547 1.689 40 0 HDABMO Cc1[nH+]ccn1C[C@H](C)C(=O)N1CCC(c2cc3nc(N(C)C)ncc3c(=O)[nH]2)CC1 ZINC000019287670 558860991 /nfs/dbraw/zinc/86/09/91/558860991.db2.gz BNLZTWDNFHJZFZ-AWEZNQCLSA-N 1 1 423.521 1.931 40 0 HDABMO COc1cc(CC(=O)N2CCC(O)(Cn3cc[nH+]c3C)CC2)cc(OC)c1OC ZINC000019287876 558861268 /nfs/dbraw/zinc/86/12/68/558861268.db2.gz FBTOJNSVORJJLU-UHFFFAOYSA-N 1 1 403.479 1.814 40 0 HDABMO O=C(C[N@@H+]1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)C1CC1)N1CCOCC1 ZINC000019336343 558870075 /nfs/dbraw/zinc/87/00/75/558870075.db2.gz SODWNVYKQGNCJS-NJDAHSKKSA-N 1 1 415.509 1.711 40 0 HDABMO O=C(c1cccnc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019339592 558871287 /nfs/dbraw/zinc/87/12/87/558871287.db2.gz NVJQDHHQRIWVOO-SFHVURJKSA-N 1 1 416.485 1.748 40 0 HDABMO O=C(c1cccnc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000019339592 558871291 /nfs/dbraw/zinc/87/12/91/558871291.db2.gz NVJQDHHQRIWVOO-SFHVURJKSA-N 1 1 416.485 1.748 40 0 HDABMO O=C(c1cnccn1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019403691 558884425 /nfs/dbraw/zinc/88/44/25/558884425.db2.gz CELBWEVEXMHRRF-HNNXBMFYSA-N 1 1 408.506 1.880 40 0 HDABMO CCN(Cc1ccc(C[N@H+]2CCc3nc(C(C)C)[nH]c(=O)c3CC2)o1)S(C)(=O)=O ZINC000019526605 558907847 /nfs/dbraw/zinc/90/78/47/558907847.db2.gz ULGZDSNDMIFSHJ-UHFFFAOYSA-N 1 1 422.551 1.869 40 0 HDABMO CS(=O)(=O)N1CCc2nc([C@H]3CCC[N@@H+](Cc4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019572746 558930929 /nfs/dbraw/zinc/93/09/29/558930929.db2.gz SQSJJLRROJDIDI-HNNXBMFYSA-N 1 1 420.510 1.606 40 0 HDABMO CN(C)c1ncc(C[NH+]2CCC3(CC2)CN(C(=O)c2cccs2)NC(=O)O3)cn1 ZINC000019585511 558939061 /nfs/dbraw/zinc/93/90/61/558939061.db2.gz LQTAUJBCAZPORV-UHFFFAOYSA-N 1 1 416.507 1.736 40 0 HDABMO COc1ccc(CNC(=O)c2ccc3c(c2)nc2n(c3=O)CC[N@H+](C)CC2)cc1OC ZINC000019590768 558940797 /nfs/dbraw/zinc/94/07/97/558940797.db2.gz KERRDHZGMFUJCE-UHFFFAOYSA-N 1 1 422.485 1.832 40 0 HDABMO COc1ccc(CNC(=O)c2ccc3c(c2)nc2n(c3=O)CC[N@@H+](C)CC2)cc1OC ZINC000019590768 558940800 /nfs/dbraw/zinc/94/08/00/558940800.db2.gz KERRDHZGMFUJCE-UHFFFAOYSA-N 1 1 422.485 1.832 40 0 HDABMO COCC[NH+]1CCN(c2nc([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)cc(=O)[nH]2)CC1 ZINC000019593433 558944639 /nfs/dbraw/zinc/94/46/39/558944639.db2.gz ILOWYNSEXUVZOO-OAHLLOKOSA-N 1 1 415.469 1.610 40 0 HDABMO Cn1c(SCCO)nnc1[C@H]1CCC[N@@H+](Cc2ccnc(N3CCCC3)n2)C1 ZINC000072348137 558945192 /nfs/dbraw/zinc/94/51/92/558945192.db2.gz SYRMOAMRZLULST-HNNXBMFYSA-N 1 1 403.556 1.669 40 0 HDABMO NC(=O)C1CCN(C(=O)CN2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)CC1 ZINC000019659192 558950643 /nfs/dbraw/zinc/95/06/43/558950643.db2.gz VOIRAPHKNZWTHU-UHFFFAOYSA-N 1 1 415.925 1.734 40 0 HDABMO O=C(c1ccc(=O)[nH]c1)N1CC[N@@H+](Cc2ccccc2)C[C@](O)(Cn2cccn2)C1 ZINC000072354516 558951797 /nfs/dbraw/zinc/95/17/97/558951797.db2.gz HBOHOTOFSSUAIN-JOCHJYFZSA-N 1 1 407.474 1.373 40 0 HDABMO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccccn2)CC1 ZINC000585106140 559028432 /nfs/dbraw/zinc/02/84/32/559028432.db2.gz RCOCFVSDAORRHE-ZACQAIPSSA-N 1 1 406.552 1.329 40 0 HDABMO Cc1nc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCC(C(N)=O)CC3)C2)s1 ZINC000585109466 559030459 /nfs/dbraw/zinc/03/04/59/559030459.db2.gz RJNJQZGZUCORLB-KURKYZTESA-N 1 1 420.579 1.711 40 0 HDABMO O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1ccncc1)CCC2 ZINC000096056173 559094061 /nfs/dbraw/zinc/09/40/61/559094061.db2.gz RCJDIOYQFUAEQK-REWPJTCUSA-N 1 1 422.533 1.449 40 0 HDABMO CCN1C(=O)[C@H]2C[N@@H+](CCOC)C[C@H]2C12CCN(C(=O)c1ccc(OC)cc1)CC2 ZINC000096143613 559096052 /nfs/dbraw/zinc/09/60/52/559096052.db2.gz NCLJGILFHRSJRD-VQTJNVASSA-N 1 1 415.534 1.727 40 0 HDABMO COCC[N@H+]1C[C@@H]2C(=O)N(C)C3(CCN(C(=O)COc4ccccc4)CC3)[C@@H]2C1 ZINC000096262230 559106351 /nfs/dbraw/zinc/10/63/51/559106351.db2.gz OAAPNDMNTHTROZ-RBUKOAKNSA-N 1 1 401.507 1.093 40 0 HDABMO CCOC(=O)N1CCC(O)(C[N@H+]2CC[C@@H]3[C@H](C2)CCCCN3S(C)(=O)=O)CC1 ZINC000585282119 559119943 /nfs/dbraw/zinc/11/99/43/559119943.db2.gz ANMVWRRQDXNLIZ-DLBZAZTESA-N 1 1 417.572 1.106 40 0 HDABMO O=C(c1cccnc1)N1CCC2(C[N@@H+](Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000097952846 559124877 /nfs/dbraw/zinc/12/48/77/559124877.db2.gz LINDEMUBVBCGNJ-QHCPKHFHSA-N 1 1 405.502 1.721 40 0 HDABMO O=C(Cc1ccccc1)N1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@@H]1C[C@@H](O)C[N@H+]12 ZINC000514290185 560030323 /nfs/dbraw/zinc/03/03/23/560030323.db2.gz VCRSHIIROFUTQP-FCHUYYIVSA-N 1 1 419.525 1.330 40 0 biogenic,in-vitro HDABMO O=C(Cc1ccccc1)N1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@@H]1C[C@@H](O)C[N@@H+]12 ZINC000514290185 560030325 /nfs/dbraw/zinc/03/03/25/560030325.db2.gz VCRSHIIROFUTQP-FCHUYYIVSA-N 1 1 419.525 1.330 40 0 biogenic,in-vitro HDABMO Cc1cc(=O)n2c(n1)NC(N1CCN(c3ncccn3)CC1)=[NH+][C@@H]2[C@@H]1CC=CCC1 ZINC000009289561 560757821 /nfs/dbraw/zinc/75/78/21/560757821.db2.gz JXQUFCSSIBBSGG-AEFFLSMTSA-N 1 1 406.494 1.800 40 0 HDABMO Cc1cc(N(CC(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)ccc1Br ZINC000113935733 560806276 /nfs/dbraw/zinc/80/62/76/560806276.db2.gz ZZWSOPIGHZYPKX-UHFFFAOYSA-N 1 1 404.330 1.298 40 0 HDABMO Cc1cccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](C)CC3)c(=O)[nH]c12 ZINC000019826363 560876002 /nfs/dbraw/zinc/87/60/02/560876002.db2.gz HIQDDHGPEOKZTG-PXNSSMCTSA-N 1 1 423.521 1.339 40 0 HDABMO CC[C@H](C(=O)NCCC[NH+]1CCOCC1)N(c1ccccc1F)S(C)(=O)=O ZINC000220599902 568507269 /nfs/dbraw/zinc/50/72/69/568507269.db2.gz NSPNROIDRWMOHH-MRXNPFEDSA-N 1 1 401.504 1.209 40 0 HDABMO Cn1c(CCC(=O)N[C@@H]2CCC[C@@H]([NH+]3CCOCC3)[C@@H]2O)nc2cc(Cl)ccc21 ZINC000257217991 568781279 /nfs/dbraw/zinc/78/12/79/568781279.db2.gz DBKZAQHTFQBIHX-FQELHTAISA-N 1 1 420.941 1.890 40 0 HDABMO Cc1nc2ccccc2n1CCCC(=O)N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257221327 568782215 /nfs/dbraw/zinc/78/22/15/568782215.db2.gz DOMSJEROMMCBMW-SYYKKAFVSA-N 1 1 400.523 1.855 40 0 HDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)Cn3ccc4ccc(F)cc43)CC[C@@H]2O)CC1 ZINC000257246687 568789345 /nfs/dbraw/zinc/78/93/45/568789345.db2.gz IVISIPQNCKTPBW-FPOVZHCZSA-N 1 1 416.497 1.296 40 0 HDABMO O=C(CCCc1nc2cc(F)ccc2[nH]1)N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257248696 568789849 /nfs/dbraw/zinc/78/98/49/568789849.db2.gz JEUUULKZPWGJCO-HGHGUNKESA-N 1 1 404.486 1.755 40 0 HDABMO C[NH2+]CC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCc2ccccc2C1 ZINC000257254636 568791499 /nfs/dbraw/zinc/79/14/99/568791499.db2.gz KEBIXQQACYRFGA-SCPDWHHUSA-N 1 1 413.493 1.469 40 0 HDABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000257267740 568794902 /nfs/dbraw/zinc/79/49/02/568794902.db2.gz MIOUENZTSGJAFZ-QFIPXVFZSA-N 1 1 410.474 1.701 40 0 HDABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000257267740 568794904 /nfs/dbraw/zinc/79/49/04/568794904.db2.gz MIOUENZTSGJAFZ-QFIPXVFZSA-N 1 1 410.474 1.701 40 0 HDABMO Cc1ccccc1N1CCC(O)(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(N)=O)CC1 ZINC000257315730 568809070 /nfs/dbraw/zinc/80/90/70/568809070.db2.gz VCNYJPGRAWCCDE-HSZRJFAPSA-N 1 1 422.573 1.998 40 0 HDABMO Cn1ccnc1-c1nccnc1C[C@@H]1CC[N@H+](C2CCN(S(C)(=O)=O)CC2)C1 ZINC000257340097 568815978 /nfs/dbraw/zinc/81/59/78/568815978.db2.gz ZENGIHWDMFJUSR-HNNXBMFYSA-N 1 1 404.540 1.166 40 0 HDABMO O=S1(=O)NCC2(CC[NH+](Cc3ccccn3)CC2)c2nc(N3CCCC3)ncc21 ZINC000306124458 568887475 /nfs/dbraw/zinc/88/74/75/568887475.db2.gz BQGGJNLGKICKGZ-UHFFFAOYSA-N 1 1 414.535 1.298 40 0 HDABMO COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CC[N@@H+](Cc4ccsc4)C2)C3)cc1 ZINC000306127788 568890786 /nfs/dbraw/zinc/89/07/86/568890786.db2.gz GHNRGKGNFAIIFH-QFIPXVFZSA-N 1 1 424.526 1.972 40 0 HDABMO COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CC[N@@H+](Cc4ccncc4)C2)C3)cc1 ZINC000306128640 568891476 /nfs/dbraw/zinc/89/14/76/568891476.db2.gz HHDWJDLFOQXFBG-QHCPKHFHSA-N 1 1 419.485 1.305 40 0 HDABMO O=c1c(=O)n2c(nn1CC1CC1)CO[C@]1(CC[N@@H+](Cc3ccc(Cl)cc3)C1)C2 ZINC000306128982 568891671 /nfs/dbraw/zinc/89/16/71/568891671.db2.gz HQJAQYLIDZEQEM-FQEVSTJZSA-N 1 1 402.882 1.643 40 0 HDABMO O=c1c(=O)n2c(nn1CC1CC1)CO[C@]1(CC[N@H+](Cc3ccc(Cl)cc3)C1)C2 ZINC000306128982 568891672 /nfs/dbraw/zinc/89/16/72/568891672.db2.gz HQJAQYLIDZEQEM-FQEVSTJZSA-N 1 1 402.882 1.643 40 0 HDABMO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@@]1(CC[N@@H+](Cc3ccccn3)C1)C2 ZINC000306133053 568895127 /nfs/dbraw/zinc/89/51/27/568895127.db2.gz MAGLXIXVGYCTFD-QFIPXVFZSA-N 1 1 407.449 1.436 40 0 HDABMO COCCN1CCO[C@]2(C[N@@H+](Cc3sccc3C)C[C@H]2c2ccnn2C)C1=O ZINC000306134422 568896210 /nfs/dbraw/zinc/89/62/10/568896210.db2.gz NMVGAWQSQUNGIY-JXFKEZNVSA-N 1 1 404.536 1.633 40 0 HDABMO O=c1c(=O)n(C2CCCC2)nc2n1C[C@@]1(CC[N@H+](Cc3ccc(F)cc3)C1)OC2 ZINC000306138589 568900421 /nfs/dbraw/zinc/90/04/21/568900421.db2.gz SBDONEGEIIUEKD-NRFANRHFSA-N 1 1 400.454 1.834 40 0 HDABMO CN1Cc2nnc(C(=O)NC3CCCCC3)n2C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000306141164 568902803 /nfs/dbraw/zinc/90/28/03/568902803.db2.gz VMWKGSCUHHXPTC-QFIPXVFZSA-N 1 1 409.538 1.826 40 0 HDABMO COCC[N@H+]1CCc2nc3n(c(=O)c2C1)[C@]1(CC3)CCN(Cc2nccs2)C1 ZINC000306143234 568904803 /nfs/dbraw/zinc/90/48/03/568904803.db2.gz XWXFBYGZUXWXDN-HXUWFJFHSA-N 1 1 401.536 1.252 40 0 HDABMO CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C)CC2)c(Cl)c1 ZINC000006326603 569331065 /nfs/dbraw/zinc/33/10/65/569331065.db2.gz IEENANXWVUBVPF-UHFFFAOYSA-N 1 1 403.932 1.427 40 0 HDABMO Cc1nnc(Nc2cc([C@@H]3CCCN(C(=O)/C=C/C[NH+](C)C)C3)nc(C)n2)s1 ZINC000585292821 571310211 /nfs/dbraw/zinc/31/02/11/571310211.db2.gz SPISVNRIKVJRFU-PMGBHYCQSA-N 1 1 401.540 2.512 40 0 HDABMO C[NH+](C)Cc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)c3ccc4c(c3)OCO4)O2)no1 ZINC000077262437 291193062 /nfs/dbraw/zinc/19/30/62/291193062.db2.gz YWUPRZDGFVCCPZ-RIFZZMRRSA-N 1 1 417.462 1.346 40 0 biogenic,in-vitro HDABMO C[NH+]1CCN(Cc2nc(C3(O)CCN(C(=O)Cc4ccccc4)CC3)cs2)CC1 ZINC000225473197 291193713 /nfs/dbraw/zinc/19/37/13/291193713.db2.gz WIGGBDIBBVSQMW-UHFFFAOYSA-N 1 1 414.575 1.943 40 0 biogenic,in-vitro HDABMO CN1[C@@H]2CC[N@H+](C3CCOCC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccs1 ZINC000035442457 291194166 /nfs/dbraw/zinc/19/41/66/291194166.db2.gz QSCAAXFIKQHQQA-HQRMLTQVSA-N 1 1 420.579 1.197 40 0 biogenic,in-vitro HDABMO CC[N@H+]1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@@H]32)[C@@H]14 ZINC000028539613 291192572 /nfs/dbraw/zinc/19/25/72/291192572.db2.gz BDCURAWBZJMFIK-OGVVJMRYSA-N 1 1 421.578 1.531 40 0 biogenic,in-vitro HDABMO C[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)CC1 ZINC000408553736 557442168 /nfs/dbraw/zinc/44/21/68/557442168.db2.gz BBQBIRFKXYONGQ-UHFFFAOYSA-N 1 1 415.943 1.667 40 0 HDABMO C[NH+]1CCN([C@@H](c2nnnn2Cc2ccc3c(c2)OCO3)c2ccccc2F)CC1 ZINC000035291470 557678998 /nfs/dbraw/zinc/67/89/98/557678998.db2.gz VBMZDNJACHWOBU-HXUWFJFHSA-N 1 1 410.453 1.926 40 0 HDABMO COCC(=O)N1CCO[C@@H](c2cc(C(=O)N3CC[NH+](C)CC3)c3ccccc3n2)C1 ZINC000019762789 558277420 /nfs/dbraw/zinc/27/74/20/558277420.db2.gz PYJQTYHEMDODLG-HXUWFJFHSA-N 1 1 412.490 1.169 40 0 HDABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)C1 ZINC000020041059 558325899 /nfs/dbraw/zinc/32/58/99/558325899.db2.gz MDIYGNXAWWNBQK-FCEWJHQRSA-N 1 1 409.552 1.698 40 0 HDABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000020456683 558370050 /nfs/dbraw/zinc/37/00/50/558370050.db2.gz NFWJYDAOCGRBRI-UHFFFAOYSA-N 1 1 410.455 1.642 40 0 HDABMO CC(C)(C)c1ccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)cc1 ZINC000022374237 558484378 /nfs/dbraw/zinc/48/43/78/558484378.db2.gz PCPSTKCPEFEWSB-UHFFFAOYSA-N 1 1 411.568 1.589 40 0 HDABMO Cc1cc(C)cc(N([C@H](C)C(=O)NCCC[NH+]2CCN(C)CC2)S(C)(=O)=O)c1 ZINC000022829769 558515107 /nfs/dbraw/zinc/51/51/07/558515107.db2.gz PDRSPRFDBVJMPV-GOSISDBHSA-N 1 1 410.584 1.212 40 0 HDABMO Cc1ccc(C)c(N([C@@H](C)C(=O)NCCC[NH+]2CCN(C)CC2)S(C)(=O)=O)c1 ZINC000022933338 558525237 /nfs/dbraw/zinc/52/52/37/558525237.db2.gz JSCMKKYHDHERAJ-SFHVURJKSA-N 1 1 410.584 1.212 40 0 HDABMO CC[C@H](C(=O)NCCC[NH+]1CCOCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716795 558579743 /nfs/dbraw/zinc/57/97/43/558579743.db2.gz DQWBWAISQCNWAF-LJQANCHMSA-N 1 1 411.568 1.687 40 0 HDABMO CS(=O)(=O)Nc1cccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000047227460 558841915 /nfs/dbraw/zinc/84/19/15/558841915.db2.gz IAPKFGXRQJRBIO-UHFFFAOYSA-N 1 1 403.504 1.820 40 0 HDABMO C[C@@H]1CN(c2nccc([C@@H]3C[N@@H+](Cc4ccco4)C[C@H]3C(=O)N(C)C)n2)C[C@@H](C)O1 ZINC000019497725 558896698 /nfs/dbraw/zinc/89/66/98/558896698.db2.gz YQCSGSRTUREASW-PSBWJHGTSA-N 1 1 413.522 1.987 40 0 HDABMO CCCn1nc(C)c(C[N@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)c1C ZINC000019525848 558907241 /nfs/dbraw/zinc/90/72/41/558907241.db2.gz PBJUDGZEFWOMPS-UHFFFAOYSA-N 1 1 400.527 1.843 40 0 HDABMO Cc1cc(C(=O)NCC[N@H+]2CC[C@H](c3ccccc3)C2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019662604 558953620 /nfs/dbraw/zinc/95/36/20/558953620.db2.gz VCDQHLJMLZTWHX-INIZCTEOSA-N 1 1 407.474 1.150 40 0 HDABMO CN(Cc1ccc([C@H]2C[N@@H+](C)C[C@@H]2C(N)=O)cc1)C(=O)Cn1nnc2ccccc21 ZINC000019699231 558966598 /nfs/dbraw/zinc/96/65/98/558966598.db2.gz FQDZFDYGNNFTAL-MSOLQXFVSA-N 1 1 406.490 1.220 40 0 HDABMO CCn1cc(C[N@H+]2C[C@H](C(=O)NCCc3noc(C)n3)C3(C2)CCOCC3)cn1 ZINC000585101945 559025104 /nfs/dbraw/zinc/02/51/04/559025104.db2.gz KLZSCJXNHYNNOG-QGZVFWFLSA-N 1 1 402.499 1.182 40 0 HDABMO COc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CC(C)C)C[C@@H]23)cc1 ZINC000585106060 559028290 /nfs/dbraw/zinc/02/82/90/559028290.db2.gz INOVAWCGXGGAOC-MOPGFXCFSA-N 1 1 421.563 1.552 40 0 HDABMO Cn1cncc1C[N@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N2CCC3(CCOC3)CC2)C1 ZINC000585109400 559030394 /nfs/dbraw/zinc/03/03/94/559030394.db2.gz NBKOXTQNRUDYRY-RLLQIKCJSA-N 1 1 402.539 1.676 40 0 HDABMO CNC(=O)[C@@]12CCC3(CCN(S(=O)(=O)c4cccc(OC)c4)CC3)[C@@H]1C[N@@H+](C)C2 ZINC000096143834 559096236 /nfs/dbraw/zinc/09/62/36/559096236.db2.gz WAZCUXOBFMBMQG-GHTZIAJQSA-N 1 1 421.563 1.554 40 0 HDABMO CN(C)C(=O)N1CCC[C@]2(C(=O)NCC3CC3)C[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC000096251462 559105415 /nfs/dbraw/zinc/10/54/15/559105415.db2.gz JAGXPOHGNBEINJ-NQIIRXRSSA-N 1 1 402.543 1.142 40 0 HDABMO COc1ccc(-c2cc(C(=O)N3CC[C@H](O)[C@@H]([NH+]4CCOCC4)CC3)nn2C)cc1 ZINC000585267225 559112612 /nfs/dbraw/zinc/11/26/12/559112612.db2.gz KKLBCZHVHGFAKS-FPOVZHCZSA-N 1 1 414.506 1.393 40 0 HDABMO COCCOc1cc(C[N@@H+](C)C[C@]2(O)CCCN(c3cnccn3)C2)ccc1OC ZINC000585269926 559116065 /nfs/dbraw/zinc/11/60/65/559116065.db2.gz QDTODJFORVVILC-JOCHJYFZSA-N 1 1 416.522 1.974 40 0 HDABMO OCCCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585270358 559116311 /nfs/dbraw/zinc/11/63/11/559116311.db2.gz VJPJINALOJTBJF-ZEQRLZLVSA-N 1 1 411.546 1.815 40 0 HDABMO OCCCOc1ccc(CN2C[C@H](O)[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585270358 559116312 /nfs/dbraw/zinc/11/63/12/559116312.db2.gz VJPJINALOJTBJF-ZEQRLZLVSA-N 1 1 411.546 1.815 40 0 HDABMO CC(=O)N1CCC([N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585281577 559119387 /nfs/dbraw/zinc/11/93/87/559119387.db2.gz LGPNMJPNPUTVLA-JOCHJYFZSA-N 1 1 403.523 1.280 40 0 HDABMO COCCN1C(=O)CO[C@H]2C[N@@H+]([C@H]3CCC[C@@H](Oc4ccc(Cl)cc4)[C@@H]3O)C[C@@H]21 ZINC000585289282 559122410 /nfs/dbraw/zinc/12/24/10/559122410.db2.gz PEBRXIUKDRNUJQ-ZFORQUDYSA-N 1 1 424.925 1.559 40 0 HDABMO C[N@@H+](CCCc1ccccc1)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O ZINC000585289876 559122496 /nfs/dbraw/zinc/12/24/96/559122496.db2.gz LSVZEGWIBTVTEY-RTWAWAEBSA-N 1 1 404.532 1.348 40 0 HDABMO O=C(c1ccnnc1)N1CCC2(C[N@@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000097954327 559125078 /nfs/dbraw/zinc/12/50/78/559125078.db2.gz KZOHRCADRJHELN-JOCHJYFZSA-N 1 1 406.490 1.116 40 0 HDABMO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)[NH2+][C@@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000105351234 559162696 /nfs/dbraw/zinc/16/26/96/559162696.db2.gz KYBSGTWCHDEYMC-CEFSASRWSA-N 1 1 405.882 1.548 40 0 HDABMO C[C@@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2C[N@H+](C3CCOCC3)CCN21 ZINC000514290348 560029784 /nfs/dbraw/zinc/02/97/84/560029784.db2.gz XQFRUNIFZDFGSN-FPOVZHCZSA-N 1 1 407.942 1.712 40 0 biogenic,in-vitro HDABMO COc1ccccc1CN1CC2(C1)CN(C(=O)c1cccnc1)C[C@H]1C[C@@H](O)C[N@H+]12 ZINC000514290011 560030739 /nfs/dbraw/zinc/03/07/39/560030739.db2.gz QXPWEVLUVQYGQN-WOJBJXKFSA-N 1 1 408.502 1.236 40 0 biogenic,in-vitro HDABMO COc1ccccc1CN1CC2(C1)CN(C(=O)c1cccnc1)C[C@H]1C[C@@H](O)C[N@@H+]12 ZINC000514290011 560030740 /nfs/dbraw/zinc/03/07/40/560030740.db2.gz QXPWEVLUVQYGQN-WOJBJXKFSA-N 1 1 408.502 1.236 40 0 biogenic,in-vitro HDABMO Cc1ccccc1NC(=O)[C@H]1CC(=O)NC(N2CC[NH+](Cc3ccccc3)CC2)=N1 ZINC000014606974 560846680 /nfs/dbraw/zinc/84/66/80/560846680.db2.gz PBJCWZBUMSNUBX-HXUWFJFHSA-N 1 1 405.502 1.996 40 0 HDABMO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000016024948 560858128 /nfs/dbraw/zinc/85/81/28/560858128.db2.gz OWTVRJFUUJRVCS-AJXKNDGMSA-N 1 1 405.882 1.548 40 0 HDABMO COc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CC[NH+](C)CC3)c(=O)[nH]c2c1 ZINC000019589839 560874694 /nfs/dbraw/zinc/87/46/94/560874694.db2.gz PNGAPTRQAHXOAD-HXUWFJFHSA-N 1 1 423.521 1.975 40 0 HDABMO Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CN3CC[NH+](C)CC3)[C@@H]2C(C)C)cc1 ZINC000022586966 568487226 /nfs/dbraw/zinc/48/72/26/568487226.db2.gz YVRKSASVDNOERW-NRFANRHFSA-N 1 1 422.595 1.448 40 0 HDABMO CC[C@H](C(=O)NCCC[NH+]1CCOCC1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220624607 568507634 /nfs/dbraw/zinc/50/76/34/568507634.db2.gz ZIRJIBSGNIHKGO-GOSISDBHSA-N 1 1 413.540 1.078 40 0 HDABMO Cc1cccc(N(CCCC(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)c1C ZINC000222634280 568521700 /nfs/dbraw/zinc/52/17/00/568521700.db2.gz YKTTVVPFEBWDCE-UHFFFAOYSA-N 1 1 411.568 1.688 40 0 HDABMO COC(=O)c1ccc(CS(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000224569799 568585804 /nfs/dbraw/zinc/58/58/04/568585804.db2.gz KYVXKXQTADALQJ-UHFFFAOYSA-N 1 1 418.515 1.925 40 0 HDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3ccc4c(c3)nc(C)n4C)CC[C@@H]2O)CC1 ZINC000257221007 568782301 /nfs/dbraw/zinc/78/23/01/568782301.db2.gz DNDWWZQFMCRZEJ-SFTDATJTSA-N 1 1 413.522 1.011 40 0 HDABMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)[C@H]1O ZINC000257259579 568792671 /nfs/dbraw/zinc/79/26/71/568792671.db2.gz KYZFLKIYMSDLKO-BFYDXBDKSA-N 1 1 403.483 1.017 40 0 HDABMO O=C(Cn1c2ccccc2nc1C(F)(F)F)N[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257259461 568792729 /nfs/dbraw/zinc/79/27/29/568792729.db2.gz KYMRPEOISTWQKO-FRFSOERESA-N 1 1 412.412 1.395 40 0 HDABMO C[C@@]1(C(=O)N2CCOCC2)CCC[N@@H+](CC(=O)NCCc2nc3ccccc3[nH]2)C1 ZINC000257272414 568796329 /nfs/dbraw/zinc/79/63/29/568796329.db2.gz NCIFWXQSLGTQGY-JOCHJYFZSA-N 1 1 413.522 1.183 40 0 HDABMO Cn1ccnc1-c1nccnc1C[C@H]1CC[N@H+](C2CCN(S(C)(=O)=O)CC2)C1 ZINC000257340098 568816068 /nfs/dbraw/zinc/81/60/68/568816068.db2.gz ZENGIHWDMFJUSR-OAHLLOKOSA-N 1 1 404.540 1.166 40 0 HDABMO CC(C)NC(=O)N1CC[C@@]2(CCn3c2nc2c(c3=O)C[N@H+](Cc3cccnc3)CC2)C1 ZINC000306123432 568886541 /nfs/dbraw/zinc/88/65/41/568886541.db2.gz AMZOHQPNQBARHV-HSZRJFAPSA-N 1 1 422.533 1.662 40 0 HDABMO CC(C)NC(=O)N1CC[C@@]2(CCn3c2nc2c(c3=O)C[N@@H+](Cc3cccnc3)CC2)C1 ZINC000306123432 568886543 /nfs/dbraw/zinc/88/65/43/568886543.db2.gz AMZOHQPNQBARHV-HSZRJFAPSA-N 1 1 422.533 1.662 40 0 HDABMO COCCN1C[C@@]2(CC[N@H+](Cc3ccncc3)C2)Oc2ccccc2S1(=O)=O ZINC000306126123 568888861 /nfs/dbraw/zinc/88/88/61/568888861.db2.gz DNMNKBHXGVEOMV-FQEVSTJZSA-N 1 1 403.504 1.756 40 0 HDABMO COCCN1C[C@@]2(CC[N@@H+](Cc3ccncc3)C2)Oc2ccccc2S1(=O)=O ZINC000306126123 568888862 /nfs/dbraw/zinc/88/88/62/568888862.db2.gz DNMNKBHXGVEOMV-FQEVSTJZSA-N 1 1 403.504 1.756 40 0 HDABMO Cc1cccc(C[N@H+]2CC[C@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)n1 ZINC000306127763 568890759 /nfs/dbraw/zinc/89/07/59/568890759.db2.gz GGWBTSRDTVJCRW-NRFANRHFSA-N 1 1 409.515 1.766 40 0 HDABMO COCCn1ccc(C(=O)N2CC3(C2)C[C@H](COCc2cccnc2)CC[N@@H+]3C)n1 ZINC000306131020 568893303 /nfs/dbraw/zinc/89/33/03/568893303.db2.gz JUWNYPPCHNMTTH-GOSISDBHSA-N 1 1 413.522 1.678 40 0 HDABMO COCCn1ccc(C(=O)N2CC3(C2)C[C@H](COCc2cccnc2)CC[N@H+]3C)n1 ZINC000306131020 568893304 /nfs/dbraw/zinc/89/33/04/568893304.db2.gz JUWNYPPCHNMTTH-GOSISDBHSA-N 1 1 413.522 1.678 40 0 HDABMO COCCN1C[C@]2(CC[N@H+](Cc3cccnc3)C2)Oc2ccccc2S1(=O)=O ZINC000306131095 568893457 /nfs/dbraw/zinc/89/34/57/568893457.db2.gz JWOHLVZXHMVYEP-HXUWFJFHSA-N 1 1 403.504 1.756 40 0 HDABMO COCCN1C[C@]2(CC[N@@H+](Cc3cccnc3)C2)Oc2ccccc2S1(=O)=O ZINC000306131095 568893458 /nfs/dbraw/zinc/89/34/58/568893458.db2.gz JWOHLVZXHMVYEP-HXUWFJFHSA-N 1 1 403.504 1.756 40 0 HDABMO CCn1cc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306139345 568901129 /nfs/dbraw/zinc/90/11/29/568901129.db2.gz SUZGZRHPDFOQJJ-MOPGFXCFSA-N 1 1 405.506 1.729 40 0 HDABMO CCn1cc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306139346 568901138 /nfs/dbraw/zinc/90/11/38/568901138.db2.gz SUZGZRHPDFOQJJ-OALUTQOASA-N 1 1 405.506 1.729 40 0 HDABMO COc1ccccc1OCC(=O)N1CCC2(C[C@H](C[NH+]3CCN(C)CC3)O2)CC1 ZINC000306141297 568903090 /nfs/dbraw/zinc/90/30/90/568903090.db2.gz VQZNTOJMNJJJOY-GOSISDBHSA-N 1 1 403.523 1.472 40 0 HDABMO Cn1cc(C[NH+]2CCC3(CC2)CN(C)C[C@H](C(=O)NCc2cccs2)O3)cn1 ZINC000306143753 568905129 /nfs/dbraw/zinc/90/51/29/568905129.db2.gz YLJIQPGYDWTHLE-GOSISDBHSA-N 1 1 403.552 1.463 40 0 HDABMO COc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H](Cc3cc(N(C)C)ncn3)C2)cc1 ZINC000248034266 569316128 /nfs/dbraw/zinc/31/61/28/569316128.db2.gz JAEVOOKGNFMRIK-INIZCTEOSA-N 1 1 419.551 1.346 40 0 HDABMO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H](Cc3cc(N(C)C)ncn3)C2)cc1 ZINC000248034266 569316130 /nfs/dbraw/zinc/31/61/30/569316130.db2.gz JAEVOOKGNFMRIK-INIZCTEOSA-N 1 1 419.551 1.346 40 0 HDABMO C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000046467537 569352158 /nfs/dbraw/zinc/35/21/58/569352158.db2.gz BCUQTDVXJRUMQC-MRXNPFEDSA-N 1 1 405.495 1.837 40 0 HDABMO CN1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)c5cnccn5)c43)C2)CC1 ZINC000020503707 575370140 /nfs/dbraw/zinc/37/01/40/575370140.db2.gz KIQIDSQRJGEWGW-JKSUJKDBSA-N 1 1 408.506 1.404 40 0 biogenic,in-vitro HDABMO C[NH+]1CCC(N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(NC(=O)c4cnccn4)c23)CC1 ZINC000020503707 575370144 /nfs/dbraw/zinc/37/01/44/575370144.db2.gz KIQIDSQRJGEWGW-JKSUJKDBSA-N 1 1 408.506 1.404 40 0 biogenic,in-vitro HDABMO COC[C@H]1CCC[N@H+]1C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1cccs1 ZINC000067870904 291195570 /nfs/dbraw/zinc/19/55/70/291195570.db2.gz CLXIEIBPRXNULG-WNRNVDISSA-N 1 1 413.609 1.848 40 0 biogenic,in-vitro HDABMO O=C([C@H]1O[C@H](CCN2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1O)N1CCCC1 ZINC000030879223 291200917 /nfs/dbraw/zinc/20/09/17/291200917.db2.gz HWNAFMSCIMFIMG-FKBYEOEOSA-N 1 1 401.551 1.725 40 0 biogenic,in-vitro HDABMO C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCC[NH+]1CCOCC1 ZINC000408594879 557512492 /nfs/dbraw/zinc/51/24/92/557512492.db2.gz QZDXBUWAUHBEPF-MRXNPFEDSA-N 1 1 405.520 1.345 40 0 HDABMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000408595430 557513048 /nfs/dbraw/zinc/51/30/48/557513048.db2.gz RURBCBFUUVKAJK-INIZCTEOSA-N 1 1 413.515 1.065 40 0 HDABMO CC[NH+]1CCN([C@@H](c2nnnn2C[C@@H]2CCCO2)c2cc(OC)ccc2OC)CC1 ZINC000035292426 557677536 /nfs/dbraw/zinc/67/75/36/557677536.db2.gz CNNSGOKDLQCJIO-FXAWDEMLSA-N 1 1 416.526 1.596 40 0 HDABMO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000035311635 557687572 /nfs/dbraw/zinc/68/75/72/557687572.db2.gz MHPGRHDTRVNSCP-UHFFFAOYSA-N 1 1 401.554 1.186 40 0 HDABMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000408709794 557738661 /nfs/dbraw/zinc/73/86/61/557738661.db2.gz XCNYSRMVQATXBL-UHFFFAOYSA-N 1 1 424.501 1.394 40 0 HDABMO C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc(C(=O)NCc2ccc(F)cc2)ccc1=O ZINC000019751371 558271232 /nfs/dbraw/zinc/27/12/32/558271232.db2.gz SCKRDHVCRXTJEA-IBGZPJMESA-N 1 1 414.481 1.518 40 0 HDABMO C[NH+]1CCN(N2CN=C3N[C@H](c4cccs4)n4c5ccccc5nc4N3C2)CC1 ZINC000020676346 558400151 /nfs/dbraw/zinc/40/01/51/558400151.db2.gz CHCNYQUZDPRMPV-SFHVURJKSA-N 1 1 408.535 1.803 40 0 HDABMO CC[C@@H](C(=O)NCCC[NH+]1CCOCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714972 558578537 /nfs/dbraw/zinc/57/85/37/558578537.db2.gz YOOQYJCWWBYNBM-KRWDZBQOSA-N 1 1 417.959 1.723 40 0 HDABMO C[NH+]1CCN(N2CN=C3N[C@H](c4ccccn4)n4c5ccccc5nc4N3C2)CC1 ZINC000019172420 558847391 /nfs/dbraw/zinc/84/73/91/558847391.db2.gz XJNQZSZJVRGMJV-IBGZPJMESA-N 1 1 403.494 1.137 40 0 HDABMO Cc1[nH+]ccn1CCCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000019214688 558849753 /nfs/dbraw/zinc/84/97/53/558849753.db2.gz MKZLPYFKFUHVRM-UHFFFAOYSA-N 1 1 406.508 1.940 40 0 HDABMO Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CC[NH+](C)CC1)CC1(CCOCC1)O2 ZINC000019218646 558851200 /nfs/dbraw/zinc/85/12/00/558851200.db2.gz FUPCNGDYUMULKA-QGZVFWFLSA-N 1 1 401.507 1.541 40 0 HDABMO Cc1ccccc1[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C[C@H]1c1csnn1 ZINC000019237421 558856619 /nfs/dbraw/zinc/85/66/19/558856619.db2.gz XZMXJVDKNWJYGA-BPQIPLTHSA-N 1 1 413.547 1.753 40 0 HDABMO c1ccc2c(c1)nc1n2C2(CCCC2)NC2=NCN(CCC[NH+]3CCOCC3)CN12 ZINC000054095988 558865960 /nfs/dbraw/zinc/86/59/60/558865960.db2.gz PBEHJSHFDUCKNR-UHFFFAOYSA-N 1 1 409.538 1.982 40 0 HDABMO O=C([C@H]1CCC(=O)NC(=O)N1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000019346466 558873670 /nfs/dbraw/zinc/87/36/70/558873670.db2.gz HEMHIEMIWZFADJ-CQSZACIVSA-N 1 1 401.854 1.525 40 0 HDABMO O=C(c1cnccn1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019403688 558884377 /nfs/dbraw/zinc/88/43/77/558884377.db2.gz CELBWEVEXMHRRF-OAHLLOKOSA-N 1 1 408.506 1.880 40 0 HDABMO Cc1nonc1CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019559112 558920513 /nfs/dbraw/zinc/92/05/13/558920513.db2.gz WKVZDUOPGZTWKK-MRXNPFEDSA-N 1 1 414.510 1.499 40 0 HDABMO Cc1nonc1CN(C)C(=O)C[N@H+]1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019559112 558920515 /nfs/dbraw/zinc/92/05/15/558920515.db2.gz WKVZDUOPGZTWKK-MRXNPFEDSA-N 1 1 414.510 1.499 40 0 HDABMO COc1ccc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)cc1O ZINC000019559731 558920893 /nfs/dbraw/zinc/92/08/93/558920893.db2.gz CQMPRCZNPCZMLR-INIZCTEOSA-N 1 1 400.479 1.700 40 0 HDABMO COCc1ccc(OC)c(C[N@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)c1 ZINC000019594363 558945432 /nfs/dbraw/zinc/94/54/32/558945432.db2.gz ZOJFJXTWBBTYTK-UHFFFAOYSA-N 1 1 414.506 1.362 40 0 HDABMO CCS(=O)(=O)N1CCC(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)CC1 ZINC000072398977 558976598 /nfs/dbraw/zinc/97/65/98/558976598.db2.gz VNVXYMGCZFNWOS-UHFFFAOYSA-N 1 1 422.576 1.919 40 0 HDABMO C[C@H](c1cc(=O)[nH]c(NCCC[NH+]2CCOCC2)n1)n1ncc2ccccc2c1=O ZINC000019717925 558981005 /nfs/dbraw/zinc/98/10/05/558981005.db2.gz VOGOFSBCNLJZQN-OAHLLOKOSA-N 1 1 410.478 1.223 40 0 HDABMO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@@H](C[N@H+]4CC[C@@H](O)C4)C3)CC2)cc1 ZINC000585103389 559026694 /nfs/dbraw/zinc/02/66/94/559026694.db2.gz GCUGFFVTGUQZRY-NHCUHLMSSA-N 1 1 401.551 1.759 40 0 HDABMO COCCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104539 559027003 /nfs/dbraw/zinc/02/70/03/559027003.db2.gz PVHLCSVJHMGRGA-FQEVSTJZSA-N 1 1 402.520 1.902 40 0 HDABMO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](C[N@H+]4CC[C@H](O)C4)C3)CC2)c1 ZINC000585104853 559027285 /nfs/dbraw/zinc/02/72/85/559027285.db2.gz UKQXIUUAODMHPB-PXNSSMCTSA-N 1 1 404.507 1.782 40 0 HDABMO C[N@@H+](C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccn1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585104828 559027305 /nfs/dbraw/zinc/02/73/05/559027305.db2.gz TZKNZMNIRDYOTE-GUDVDZBRSA-N 1 1 423.579 1.877 40 0 HDABMO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccccn2)CC1 ZINC000585106139 559028454 /nfs/dbraw/zinc/02/84/54/559028454.db2.gz RCOCFVSDAORRHE-BBWFWOEESA-N 1 1 406.552 1.329 40 0 HDABMO CCCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000585106267 559028716 /nfs/dbraw/zinc/02/87/16/559028716.db2.gz JTSJHDCUXHMJDW-MOPGFXCFSA-N 1 1 405.564 1.996 40 0 HDABMO COCC[N@H+]1CC2(CCN(C(=O)Nc3cccc(OC)c3)CC2)[C@]2(CCNC2=O)C1 ZINC000096144005 559096361 /nfs/dbraw/zinc/09/63/61/559096361.db2.gz JONOENCBYNIOGF-JOCHJYFZSA-N 1 1 416.522 1.778 40 0 HDABMO COCC[N@H+]1CC2(CCN(C(=O)c3cc(C)oc3C)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096144253 559096550 /nfs/dbraw/zinc/09/65/50/559096550.db2.gz OHILSSJXCBAFDQ-JOCHJYFZSA-N 1 1 403.523 1.929 40 0 HDABMO COCCN1CCN(c2ccc3ccc(C(=O)N4CCC([NH+](C)C)CC4)cn32)CC1 ZINC000096155907 559099965 /nfs/dbraw/zinc/09/99/65/559099965.db2.gz NJLGLCMWCPMWQV-UHFFFAOYSA-N 1 1 413.566 1.874 40 0 HDABMO CN1CCN(C(=O)c2ccc3nnc([C@@H]4CC[N@@H+](Cc5cccnc5)C4)n3c2)CC1 ZINC000096267562 559108236 /nfs/dbraw/zinc/10/82/36/559108236.db2.gz ICGMTGLHLZAYIZ-GOSISDBHSA-N 1 1 405.506 1.501 40 0 HDABMO CCOC(=O)N1CCC([N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)CC1 ZINC000585283019 559120399 /nfs/dbraw/zinc/12/03/99/559120399.db2.gz OSMFADHESIMOHU-JOCHJYFZSA-N 1 1 419.522 1.582 40 0 HDABMO CC(=O)N1CCC([N@H+]2CCN(C(C)=O)C[C@@](O)(COc3cc(C)cc(C)c3)C2)CC1 ZINC000585287880 559123202 /nfs/dbraw/zinc/12/32/02/559123202.db2.gz UITFUJXTBHHZRR-QHCPKHFHSA-N 1 1 417.550 1.588 40 0 HDABMO CC(C)N1CCN(CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCC[NH+](C)C)cn21 ZINC000107189578 559164889 /nfs/dbraw/zinc/16/48/89/559164889.db2.gz HTENONYHOXBRFT-IBGZPJMESA-N 1 1 413.570 1.498 40 0 HDABMO C[N@@H+](Cc1ccc(OCCOCCO)cc1)C[C@]1(O)CCCN(c2ncccn2)C1 ZINC000257242275 559284265 /nfs/dbraw/zinc/28/42/65/559284265.db2.gz IBTRJHUJTXQIQF-JOCHJYFZSA-N 1 1 416.522 1.328 40 0 HDABMO CC(C)[C@H]([NH2+][C@H]1C=CS(=O)(=O)C1)C(=O)N1CCC[C@@H](c2[nH]nc3ncccc32)C1 ZINC000019086299 560871776 /nfs/dbraw/zinc/87/17/76/560871776.db2.gz JFIMIYNSEVRIKM-VYDXJSESSA-N 1 1 417.535 1.589 40 0 HDABMO O=C(NCCC[NH+]1CCOCC1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000216458301 568465599 /nfs/dbraw/zinc/46/55/99/568465599.db2.gz XRZAURKOPJICNF-UHFFFAOYSA-N 1 1 409.552 1.454 40 0 HDABMO C[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000022829833 568499819 /nfs/dbraw/zinc/49/98/19/568499819.db2.gz QHMJBMMQAALIAA-HNNXBMFYSA-N 1 1 416.975 1.248 40 0 HDABMO CN(c1ccccc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000224555138 568585041 /nfs/dbraw/zinc/58/50/41/568585041.db2.gz OYLHLVAPHCKLTE-UHFFFAOYSA-N 1 1 417.531 1.845 40 0 HDABMO C[C@@H]1CN(c2ncc3c(n2)[C@]2(CC[N@@H+](Cc4ccc(CO)o4)C2)COC3)C[C@@H](C)O1 ZINC000253604062 568755037 /nfs/dbraw/zinc/75/50/37/568755037.db2.gz QAGKQZHCTZIBJR-MCFFVMPBSA-N 1 1 414.506 1.849 40 0 HDABMO Cn1c(CCCC(=O)N[C@@H]2CCC[C@@H]([NH+]3CCOCC3)[C@@H]2O)nc2ccccc21 ZINC000257204344 568777402 /nfs/dbraw/zinc/77/74/02/568777402.db2.gz AUBZWUJVIVSXNT-SFGWALBWSA-N 1 1 400.523 1.626 40 0 HDABMO COCCn1cnc2cc(C(=O)N[C@@H]3CCC[C@@H]([NH+]4CCOCC4)[C@@H]3O)ccc21 ZINC000257206765 568778148 /nfs/dbraw/zinc/77/81/48/568778148.db2.gz BEUZRBUYRAXEOX-NSISKUIASA-N 1 1 402.495 1.027 40 0 HDABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000257216508 568780883 /nfs/dbraw/zinc/78/08/83/568780883.db2.gz CUTXZUJTWIYMLU-QHCPKHFHSA-N 1 1 423.517 1.376 40 0 HDABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000257216508 568780884 /nfs/dbraw/zinc/78/08/84/568780884.db2.gz CUTXZUJTWIYMLU-QHCPKHFHSA-N 1 1 423.517 1.376 40 0 HDABMO COc1ccc(-c2cc(C(=O)N(C)[C@@H]3CC[C@@H]([NH+]4CCOCC4)[C@@H]3O)nn2C)cc1 ZINC000257304957 568805946 /nfs/dbraw/zinc/80/59/46/568805946.db2.gz SNWSFALLDXBOHI-SFHLNBCPSA-N 1 1 414.506 1.392 40 0 HDABMO CC[N@@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1 ZINC000257305207 568806142 /nfs/dbraw/zinc/80/61/42/568806142.db2.gz SOWXAIGBFKXOCN-HXUWFJFHSA-N 1 1 401.467 1.162 40 0 HDABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)c3cc(-c4ccccc4)no3)[C@H]2O)CC1 ZINC000257316090 568808913 /nfs/dbraw/zinc/80/89/13/568808913.db2.gz VEBNLZYBFPRQKO-YFVAEKQCSA-N 1 1 412.490 1.518 40 0 HDABMO CS(=O)(=O)N[C@H]1CCN(C(=O)CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000306128100 568891016 /nfs/dbraw/zinc/89/10/16/568891016.db2.gz GQDGSHSPUNCYLH-FPOVZHCZSA-N 1 1 405.564 1.829 40 0 HDABMO O=c1c(=O)n2c(nn1CC1CC1)CO[C@@]1(CC[N@@H+](Cc3cccc(Cl)c3)C1)C2 ZINC000306138297 568900104 /nfs/dbraw/zinc/90/01/04/568900104.db2.gz RUNHDXXTJKHFHL-HXUWFJFHSA-N 1 1 402.882 1.643 40 0 HDABMO O=c1c(=O)n2c(nn1CC1CC1)CO[C@@]1(CC[N@H+](Cc3cccc(Cl)c3)C1)C2 ZINC000306138297 568900106 /nfs/dbraw/zinc/90/01/06/568900106.db2.gz RUNHDXXTJKHFHL-HXUWFJFHSA-N 1 1 402.882 1.643 40 0 HDABMO COc1ccc(C[N@@H+]2C[C@@H]3c4nn(Cc5ccc(C)cc5)c(=O)c(=O)n4C[C@@H]3C2)cc1 ZINC000306139966 568901889 /nfs/dbraw/zinc/90/18/89/568901889.db2.gz UFNYHSJPKOBJNO-FPOVZHCZSA-N 1 1 418.497 2.000 40 0 HDABMO C[C@H](CO)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(C2CC2)[nH+]1 ZINC000329071902 568975976 /nfs/dbraw/zinc/97/59/76/568975976.db2.gz ZTNDUTOTRBMZCB-GFCCVEGCSA-N 1 1 403.508 1.357 40 0 HDABMO C[C@H](CO)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]c(C2CC2)n1 ZINC000329071902 568975979 /nfs/dbraw/zinc/97/59/79/568975979.db2.gz ZTNDUTOTRBMZCB-GFCCVEGCSA-N 1 1 403.508 1.357 40 0 HDABMO COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@@H]([N@@H+]3CCCC[C@H]3CCO)C2=O)c1 ZINC000250367612 569286791 /nfs/dbraw/zinc/28/67/91/569286791.db2.gz LKEDJYUFPRNTDL-DOTOQJQBSA-N 1 1 418.446 1.129 40 0 HDABMO COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@@H]([N@H+]3CCCC[C@H]3CCO)C2=O)c1 ZINC000250367612 569286793 /nfs/dbraw/zinc/28/67/93/569286793.db2.gz LKEDJYUFPRNTDL-DOTOQJQBSA-N 1 1 418.446 1.129 40 0 HDABMO Cn1cc2c(n1)[C@@H](C(=O)N1CCOCC1)C[N@@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000019701477 569347304 /nfs/dbraw/zinc/34/73/04/569347304.db2.gz UACFAYIZCKDWIB-FQEVSTJZSA-N 1 1 406.490 1.564 40 0 HDABMO Cn1cc2c(n1)[C@@H](C(=O)N1CCOCC1)C[N@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000019701477 569347305 /nfs/dbraw/zinc/34/73/05/569347305.db2.gz UACFAYIZCKDWIB-FQEVSTJZSA-N 1 1 406.490 1.564 40 0 HDABMO CC(=O)N1CCC(c2cc(C[NH+](C)C)n(CCNC(=O)c3ccc(C)nc3)n2)CC1 ZINC000019709136 569348093 /nfs/dbraw/zinc/34/80/93/569348093.db2.gz RMBLHAHBWZTKLM-UHFFFAOYSA-N 1 1 412.538 1.804 40 0 HDABMO CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C)CC2)c(Cl)c1 ZINC000038280062 569351751 /nfs/dbraw/zinc/35/17/51/569351751.db2.gz UKURYLHUGCDLEV-UHFFFAOYSA-N 1 1 403.932 1.571 40 0 HDABMO Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000108001256 569353242 /nfs/dbraw/zinc/35/32/42/569353242.db2.gz PXHIFNCFSHAWLD-UHFFFAOYSA-N 1 1 403.504 1.949 40 0 HDABMO CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccsc3)C[N@@H+]21 ZINC000015708642 291192483 /nfs/dbraw/zinc/19/24/83/291192483.db2.gz NNFAQZHCEKLUDF-XHSDSOJGSA-N 1 1 407.540 1.460 40 0 biogenic,in-vitro HDABMO CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccsc3)C[N@H+]21 ZINC000015708642 291192484 /nfs/dbraw/zinc/19/24/84/291192484.db2.gz NNFAQZHCEKLUDF-XHSDSOJGSA-N 1 1 407.540 1.460 40 0 biogenic,in-vitro HDABMO Cc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCOCC2)[N@H+]3C)cc1 ZINC000035442509 291198569 /nfs/dbraw/zinc/19/85/69/291198569.db2.gz OQKPYPKZIPBKOD-VWPQPMDRSA-N 1 1 414.550 1.007 40 0 biogenic,in-vitro HDABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCOCC2)N3C)cc1 ZINC000035442509 291198571 /nfs/dbraw/zinc/19/85/71/291198571.db2.gz OQKPYPKZIPBKOD-VWPQPMDRSA-N 1 1 414.550 1.007 40 0 biogenic,in-vitro HDABMO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCOCC2)N3C)cc1 ZINC000035442509 291198573 /nfs/dbraw/zinc/19/85/73/291198573.db2.gz OQKPYPKZIPBKOD-VWPQPMDRSA-N 1 1 414.550 1.007 40 0 biogenic,in-vitro HDABMO CCOC(=O)CN1CC[NH+](C[C@H](O)COCCOC23CC4CC(CC(C4)C2)C3)CC1 ZINC000041689909 520778980 /nfs/dbraw/zinc/77/89/80/520778980.db2.gz AKBIHHUNUPXDEU-YYCBCANDSA-N 1 1 424.582 1.530 40 0 HDABMO C[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)CC1 ZINC000408556782 557453550 /nfs/dbraw/zinc/45/35/50/557453550.db2.gz KKTDPLJZIXDCKN-UHFFFAOYSA-N 1 1 415.515 1.591 40 0 HDABMO COc1ccc(NC(=O)C[S@@](=O)CC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000035311232 557693237 /nfs/dbraw/zinc/69/32/37/557693237.db2.gz HFFTZBBYFXSQAJ-LJAQVGFWSA-N 1 1 421.563 1.859 40 0 HDABMO CS(=O)(=O)N(CCCC(=O)NCCC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000008040784 557771210 /nfs/dbraw/zinc/77/12/10/557771210.db2.gz DGHWASXGFRIGJG-UHFFFAOYSA-N 1 1 417.959 1.725 40 0 HDABMO C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(=O)n(CC(=O)NCc2ccc(F)cc2)c1 ZINC000019750886 558270734 /nfs/dbraw/zinc/27/07/34/558270734.db2.gz CPJPVQNREVNYGS-IBGZPJMESA-N 1 1 414.481 1.518 40 0 HDABMO C[N@@H+]1CCN(C(=O)c2ccc(=O)n(CC(=O)N3CCCCC3)c2)[C@H](c2ccccc2)C1 ZINC000019751188 558271202 /nfs/dbraw/zinc/27/12/02/558271202.db2.gz DMUQWRUNWWVNRA-NRFANRHFSA-N 1 1 422.529 1.990 40 0 HDABMO C[N@H+]1CCN(C(=O)c2ccc(=O)n(CC(=O)N3CCCCC3)c2)[C@H](c2ccccc2)C1 ZINC000019751188 558271206 /nfs/dbraw/zinc/27/12/06/558271206.db2.gz DMUQWRUNWWVNRA-NRFANRHFSA-N 1 1 422.529 1.990 40 0 HDABMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000022247114 558472228 /nfs/dbraw/zinc/47/22/28/558472228.db2.gz AIUUSQWABXWFJQ-FQEVSTJZSA-N 1 1 419.522 1.879 40 0 HDABMO Cc1cc(C)cc(N([C@@H](C)C(=O)NCCC[NH+]2CCN(C)CC2)S(C)(=O)=O)c1 ZINC000022829766 558515009 /nfs/dbraw/zinc/51/50/09/558515009.db2.gz PDRSPRFDBVJMPV-SFHVURJKSA-N 1 1 410.584 1.212 40 0 HDABMO Cc1ncc(CO)c(CO)c1OC[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000013213485 558525943 /nfs/dbraw/zinc/52/59/43/558525943.db2.gz ZRQSJDXWNGOCBB-IBGZPJMESA-N 1 1 405.470 1.076 40 0 HDABMO O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCOCC1 ZINC000016491246 558794575 /nfs/dbraw/zinc/79/45/75/558794575.db2.gz FEHLCPXDWLATRZ-UHFFFAOYSA-N 1 1 423.579 1.849 40 0 HDABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000047110567 558841544 /nfs/dbraw/zinc/84/15/44/558841544.db2.gz NVHQMXRWQQHLAG-QGZVFWFLSA-N 1 1 409.552 1.559 40 0 HDABMO Cc1cccc(OCCC[NH+]2CCN(C(=O)Cc3c(C)nc(N)[nH]c3=O)CC2)c1C ZINC000019235716 558854806 /nfs/dbraw/zinc/85/48/06/558854806.db2.gz QZIYKVYSBQYPEQ-UHFFFAOYSA-N 1 1 413.522 1.433 40 0 HDABMO C[C@@H]1CCC[N@@H+](CCC(=O)N2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)C1 ZINC000019496554 558895427 /nfs/dbraw/zinc/89/54/27/558895427.db2.gz SYOBXGVDOSAECQ-GOSISDBHSA-N 1 1 412.534 1.872 40 0 HDABMO CCSc1ncc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)cn1 ZINC000019520526 558901380 /nfs/dbraw/zinc/90/13/80/558901380.db2.gz UNDOSAITFRMHOV-INIZCTEOSA-N 1 1 416.551 1.888 40 0 HDABMO COc1cc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)ccc1O ZINC000019550060 558914891 /nfs/dbraw/zinc/91/48/91/558914891.db2.gz LHFIOAXBEUXHOO-MRXNPFEDSA-N 1 1 400.479 1.700 40 0 HDABMO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CC[C@@H](O)C4)C3)CC2)c1 ZINC000585104855 559027321 /nfs/dbraw/zinc/02/73/21/559027321.db2.gz UKQXIUUAODMHPB-YLJYHZDGSA-N 1 1 404.507 1.782 40 0 HDABMO CN(C)c1ncc(-c2cc(C(=O)NCCC[NH+]3CCOCC3)n(CC3CC3)c2)cn1 ZINC000096037656 559091372 /nfs/dbraw/zinc/09/13/72/559091372.db2.gz YSZMNIRUPFTQAM-UHFFFAOYSA-N 1 1 412.538 1.873 40 0 HDABMO O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1ccco1)CCC2 ZINC000096056161 559094161 /nfs/dbraw/zinc/09/41/61/559094161.db2.gz LMEUHUUHQMHRMW-AVRDEDQJSA-N 1 1 411.506 1.647 40 0 HDABMO COCC[N@H+]1CC2(CCN(C(=O)c3ccccc3F)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096144248 559096501 /nfs/dbraw/zinc/09/65/01/559096501.db2.gz MYKLYQPXKQOACA-JOCHJYFZSA-N 1 1 403.498 1.859 40 0 HDABMO COCCN(C)C(=O)c1ccc2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCN3C)n2c1 ZINC000096156628 559100555 /nfs/dbraw/zinc/10/05/55/559100555.db2.gz CVPOKMAKHWKOMV-HXUWFJFHSA-N 1 1 422.533 1.936 40 0 HDABMO CC(C)N1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)NCCc3ccccn3)cn21 ZINC000096156788 559100680 /nfs/dbraw/zinc/10/06/80/559100680.db2.gz FKVUWALRVGKIFZ-LJQANCHMSA-N 1 1 407.522 1.794 40 0 HDABMO CC(C)N1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)NCCc3ccccn3)cn21 ZINC000096156788 559100681 /nfs/dbraw/zinc/10/06/81/559100681.db2.gz FKVUWALRVGKIFZ-LJQANCHMSA-N 1 1 407.522 1.794 40 0 HDABMO CC(C)N1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCC[NH+](C)C)cn21 ZINC000096156790 559100684 /nfs/dbraw/zinc/10/06/84/559100684.db2.gz HTENONYHOXBRFT-LJQANCHMSA-N 1 1 413.570 1.498 40 0 HDABMO COCC[N@H+]1CC2(CCN(C(=O)Cc3ccc(OC)cc3)CC2)[C@@]2(CCNC2=O)C1 ZINC000096262517 559106538 /nfs/dbraw/zinc/10/65/38/559106538.db2.gz DHBQRJZKEQMFKC-QHCPKHFHSA-N 1 1 415.534 1.315 40 0 HDABMO COCCN1[C@H]2CC[N@H+](Cc3cnn(C)c3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263922 559107337 /nfs/dbraw/zinc/10/73/37/559107337.db2.gz SGVMZWOLYBLJGD-ROUUACIJSA-N 1 1 420.535 1.483 40 0 HDABMO COCCN1[C@H]2CC[N@@H+](Cc3cnn(C)c3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263922 559107338 /nfs/dbraw/zinc/10/73/38/559107338.db2.gz SGVMZWOLYBLJGD-ROUUACIJSA-N 1 1 420.535 1.483 40 0 HDABMO COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccccc3F)[C@H]([N@@H+](C)CCO)[C@H]2O)c1 ZINC000585262312 559110739 /nfs/dbraw/zinc/11/07/39/559110739.db2.gz SQCZUXXMOHSUCX-CGXNFDGLSA-N 1 1 418.465 1.438 40 0 HDABMO CCOC(=O)N1CCC(O)(C[N@H+]2CCOC[C@@](O)(COc3ccccc3)C2)CC1 ZINC000585282759 559120129 /nfs/dbraw/zinc/12/01/29/559120129.db2.gz NRFDKASIONKDEK-OAQYLSRUSA-N 1 1 408.495 1.112 40 0 HDABMO CCOC(=O)N1CCC(O)(C[N@H+]2CCOC[C@](O)(COc3ccccc3)C2)CC1 ZINC000585282757 559120138 /nfs/dbraw/zinc/12/01/38/559120138.db2.gz NRFDKASIONKDEK-NRFANRHFSA-N 1 1 408.495 1.112 40 0 HDABMO CN(C)C(=O)[C@H]1CN(S(C)(=O)=O)CC[N@@H+](C[C@@]2(O)CC[C@H](C(C)(C)C)CC2)C1 ZINC000585283299 559120618 /nfs/dbraw/zinc/12/06/18/559120618.db2.gz NABFOCOQVMSPJA-HLIPFELVSA-N 1 1 417.616 1.235 40 0 HDABMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)CC1 ZINC000409387578 560720048 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FOSHBBCFPUGTNB-JOCHJYFZSA-N 1 1 421.545 1.897 40 0 HDABMO CN(C(=O)COc1cccc2c1OC(C)(C)C2)[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257297656 568803692 /nfs/dbraw/zinc/80/36/92/568803692.db2.gz RIHWDZPWLRXGTD-MBOZVWFJSA-N 1 1 404.507 1.461 40 0 HDABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)Cn3ccc4ccc(F)cc43)[C@H]2O)CC1 ZINC000257313604 568808332 /nfs/dbraw/zinc/80/83/32/568808332.db2.gz UTIDHUAYLKBWFG-WOIUINJBSA-N 1 1 416.497 1.343 40 0 HDABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(NC(C)=O)cc2)C1 ZINC000257329673 568813048 /nfs/dbraw/zinc/81/30/48/568813048.db2.gz XKYXBAZIAICQHU-QFIPXVFZSA-N 1 1 409.490 1.758 40 0 HDABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(NC(C)=O)cc2)C1 ZINC000257329673 568813051 /nfs/dbraw/zinc/81/30/51/568813051.db2.gz XKYXBAZIAICQHU-QFIPXVFZSA-N 1 1 409.490 1.758 40 0 HDABMO COCC[N@H+]1CC[C@]2(CCn3cc(C(=O)NCc4cccc(Cl)c4)c(=O)nc32)C1 ZINC000306132264 568894464 /nfs/dbraw/zinc/89/44/64/568894464.db2.gz LDDIIXSRZGZJJZ-NRFANRHFSA-N 1 1 416.909 1.820 40 0 HDABMO Cn1cc(CN2Cc3cnc(N4CCOCC4)nc3[C@]3(CC[N@@H+](CC4CC4)C3)C2)cn1 ZINC000306133446 568895606 /nfs/dbraw/zinc/89/56/06/568895606.db2.gz MLQGYGSRLOUDEW-QHCPKHFHSA-N 1 1 423.565 1.416 40 0 HDABMO COCCN1CC[C@]2(C[N@@H+](Cc3cnn(C)c3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306133954 568896052 /nfs/dbraw/zinc/89/60/52/568896052.db2.gz NAFONLKKVSTRLW-GHTZIAJQSA-N 1 1 400.527 1.662 40 0 HDABMO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@@]1(CC[N@@H+](Cc3cccnc3)C1)C2 ZINC000306136046 568898015 /nfs/dbraw/zinc/89/80/15/568898015.db2.gz PHIRCTXZCFFFSC-QFIPXVFZSA-N 1 1 407.449 1.436 40 0 HDABMO O=c1c(=O)n2c(nn1CC1CC1)CO[C@]1(CC[N@@H+](Cc3cccc(Cl)c3)C1)C2 ZINC000306138296 568900130 /nfs/dbraw/zinc/90/01/30/568900130.db2.gz RUNHDXXTJKHFHL-FQEVSTJZSA-N 1 1 402.882 1.643 40 0 HDABMO O=c1c(=O)n2c(nn1CC1CC1)CO[C@]1(CC[N@H+](Cc3cccc(Cl)c3)C1)C2 ZINC000306138296 568900133 /nfs/dbraw/zinc/90/01/33/568900133.db2.gz RUNHDXXTJKHFHL-FQEVSTJZSA-N 1 1 402.882 1.643 40 0 HDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CC[N@H+](Cc4nccs4)C2)C3)cs1 ZINC000306141889 568903237 /nfs/dbraw/zinc/90/32/37/568903237.db2.gz WJCRRVFOVGHZPY-SFHVURJKSA-N 1 1 416.532 1.123 40 0 HDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CC[N@@H+](Cc4nccs4)C2)C3)cs1 ZINC000306141889 568903238 /nfs/dbraw/zinc/90/32/38/568903238.db2.gz WJCRRVFOVGHZPY-SFHVURJKSA-N 1 1 416.532 1.123 40 0 HDABMO CCOc1cc(C(=S)N2CC[NH+](CC)CC2)ccc1OCC(=O)N1CCOCC1 ZINC000006953528 569335621 /nfs/dbraw/zinc/33/56/21/569335621.db2.gz MHMSZXGMQYVWQW-UHFFFAOYSA-N 1 1 421.563 1.636 40 0 HDABMO C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)[C@@H]4OCCc5ccccc54)C3)[nH]c(=O)c2C1 ZINC000019590227 569345743 /nfs/dbraw/zinc/34/57/43/569345743.db2.gz QJEWPPIFDZATIQ-OXQOHEQNSA-N 1 1 408.502 1.778 40 0 HDABMO CC[NH+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000033693420 569351039 /nfs/dbraw/zinc/35/10/39/569351039.db2.gz DANQJRNIUYHNEK-LBPRGKRZSA-N 1 1 404.330 1.280 40 0 HDABMO Cc1cc(Nc2nc(C3CCN(C(=O)[C@@H]4COCC[NH2+]4)CC3)cn3cccc23)n[nH]1 ZINC000585263160 571307705 /nfs/dbraw/zinc/30/77/05/571307705.db2.gz PHEAKWDSAWGKJR-KRWDZBQOSA-N 1 1 409.494 1.804 40 0 HDABMO Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](C4Cc5ccccc5C4)C3)C2=O)o1 ZINC000225398585 291198624 /nfs/dbraw/zinc/19/86/24/291198624.db2.gz CBQSVKCTTAIOGY-CTNGQTDRSA-N 1 1 421.497 1.114 40 0 biogenic,in-vitro HDABMO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000408616177 557542325 /nfs/dbraw/zinc/54/23/25/557542325.db2.gz WVLXLZJMDLMDEI-UHFFFAOYSA-N 1 1 424.350 1.598 40 0 HDABMO C[NH+]1CCN([C@H](c2nnnn2Cc2ccc3c(c2)OCO3)c2ccccc2F)CC1 ZINC000035291468 557678776 /nfs/dbraw/zinc/67/87/76/557678776.db2.gz VBMZDNJACHWOBU-FQEVSTJZSA-N 1 1 410.453 1.926 40 0 HDABMO CCOc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1S(=O)(=O)NC(C)C ZINC000408701332 557721371 /nfs/dbraw/zinc/72/13/71/557721371.db2.gz WIERIMAAADISQI-UHFFFAOYSA-N 1 1 413.540 1.224 40 0 HDABMO O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCCC[NH+]1CCOCC1 ZINC000408704516 557729866 /nfs/dbraw/zinc/72/98/66/557729866.db2.gz OUUFYMJRFJFVNA-UHFFFAOYSA-N 1 1 417.531 1.967 40 0 HDABMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)c2)C1 ZINC000019751272 558271279 /nfs/dbraw/zinc/27/12/79/558271279.db2.gz SLHGFZIQAHZYPC-KRWDZBQOSA-N 1 1 414.481 1.375 40 0 HDABMO Cc1nc(C2CC[NH+](CC(=O)N3CCCC3)CC2)ncc1C(=O)N1CCOCC1 ZINC000019752923 558272241 /nfs/dbraw/zinc/27/22/41/558272241.db2.gz WXFLTTPDBDCQKH-UHFFFAOYSA-N 1 1 401.511 1.059 40 0 HDABMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)CC1 ZINC000019933893 558311419 /nfs/dbraw/zinc/31/14/19/558311419.db2.gz ORWIBQKUSOZONA-HXUWFJFHSA-N 1 1 407.580 1.825 40 0 HDABMO C[NH+]1CCN(N2CN=C3N[C@@H](c4cccnc4)n4c5ccccc5nc4N3C2)CC1 ZINC000020638695 558396868 /nfs/dbraw/zinc/39/68/68/558396868.db2.gz RKCYFBTUMSMXIT-LJQANCHMSA-N 1 1 403.494 1.137 40 0 HDABMO CC[C@H](C(=O)NCCC[NH+]1CCOCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714971 558578528 /nfs/dbraw/zinc/57/85/28/558578528.db2.gz YOOQYJCWWBYNBM-QGZVFWFLSA-N 1 1 417.959 1.723 40 0 HDABMO CC(C)(CO)NC(=O)c1ccc2c(c1)nc1n(c2=O)CC[N@@H+](Cc2ccccc2)CC1 ZINC000019085032 558840972 /nfs/dbraw/zinc/84/09/72/558840972.db2.gz UARIXMHYZQNPTB-UHFFFAOYSA-N 1 1 420.513 1.956 40 0 HDABMO CS(=O)(=O)Nc1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000047276637 558842021 /nfs/dbraw/zinc/84/20/21/558842021.db2.gz ODWNAISBXLQCKQ-UHFFFAOYSA-N 1 1 403.504 1.820 40 0 HDABMO Cc1ccc(C[N@@H+]2CCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)s1 ZINC000019217220 558850677 /nfs/dbraw/zinc/85/06/77/558850677.db2.gz MWZHKYIZNTYVIZ-INIZCTEOSA-N 1 1 408.549 1.795 40 0 HDABMO Cc1ccc(C[N@H+]2CCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)s1 ZINC000019217220 558850678 /nfs/dbraw/zinc/85/06/78/558850678.db2.gz MWZHKYIZNTYVIZ-INIZCTEOSA-N 1 1 408.549 1.795 40 0 HDABMO Cc1cccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccnc(N4CCCC4)n3)CC2)c1 ZINC000019235148 558854216 /nfs/dbraw/zinc/85/42/16/558854216.db2.gz VLORYHMTHPWKDC-NRFANRHFSA-N 1 1 411.550 1.943 40 0 HDABMO NC(=O)COc1ccc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3CC2)cc1 ZINC000019341190 558871736 /nfs/dbraw/zinc/87/17/36/558871736.db2.gz JLTVRPNIVZEOJI-UHFFFAOYSA-N 1 1 405.458 1.297 40 0 HDABMO Cn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)CN3C(=O)NC(C)(C)C3=O)ccc21 ZINC000019460075 558893360 /nfs/dbraw/zinc/89/33/60/558893360.db2.gz KLPXFTRKSZVCNB-UHFFFAOYSA-N 1 1 412.494 1.828 40 0 HDABMO CC1CCN(S(=O)(=O)N2CC[NH+](C[C@H](O)c3cn(C)c4ccccc34)CC2)CC1 ZINC000019496941 558895950 /nfs/dbraw/zinc/89/59/50/558895950.db2.gz BOZLGDDVIDWWJM-NRFANRHFSA-N 1 1 420.579 1.806 40 0 HDABMO C[C@@H]1CN(c2nccc([C@@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]3C(=O)N(C)C)n2)C[C@@H](C)O1 ZINC000019497719 558896330 /nfs/dbraw/zinc/89/63/30/558896330.db2.gz PSRDKYMVMORKTN-UJWQCDCRSA-N 1 1 417.554 1.230 40 0 HDABMO C[C@@H]1Cc2cc([C@H](O)C[NH+]3CCN(c4ncccn4)CC3)ccc2N1S(C)(=O)=O ZINC000019497879 558896687 /nfs/dbraw/zinc/89/66/87/558896687.db2.gz PETLRRZIMMTCQS-DNVCBOLYSA-N 1 1 417.535 1.043 40 0 HDABMO CCc1nc(N2CCN(C(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)cc(C)[nH+]1 ZINC000019523145 558904221 /nfs/dbraw/zinc/90/42/21/558904221.db2.gz WPMUKTGTNBVJLZ-UHFFFAOYSA-N 1 1 407.474 1.963 40 0 HDABMO CCc1nc(N2CCN(S(=O)(=O)c3ccc4oc(=O)ccc4c3)CC2)cc(C)[nH+]1 ZINC000019523164 558904374 /nfs/dbraw/zinc/90/43/74/558904374.db2.gz VSIFWRNVAKPCQR-UHFFFAOYSA-N 1 1 414.487 1.965 40 0 HDABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CCN(S(=O)(=O)c1c(C)noc1C)C2 ZINC000019708706 558971054 /nfs/dbraw/zinc/97/10/54/558971054.db2.gz JBORYXIRBMYWHW-CQSZACIVSA-N 1 1 420.539 1.679 40 0 HDABMO COCC[N@H+]1CC2(C[C@@H]1COC)CCN(C(=O)c1cn(C)nc1C(F)F)CC2 ZINC000585103689 559025826 /nfs/dbraw/zinc/02/58/26/559025826.db2.gz NFJHGBVTWAAHRK-CQSZACIVSA-N 1 1 400.470 1.947 40 0 HDABMO Cn1cnc(C(=O)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC000585102649 559026279 /nfs/dbraw/zinc/02/62/79/559026279.db2.gz DUUJJEVFSUQTIQ-DENIHFKCSA-N 1 1 410.522 1.601 40 0 HDABMO CC[C@H](C)C[N@H+]1C[C@H]2C(=O)NC3(CCN(c4nc(OC)cc(OC)n4)CC3)[C@@H]2C1 ZINC000585106022 559028317 /nfs/dbraw/zinc/02/83/17/559028317.db2.gz FSYLIQOKTUJEHL-ARFHVFGLSA-N 1 1 403.527 1.557 40 0 HDABMO COc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CC4CC4)C[C@@H]23)cc1 ZINC000585106218 559028521 /nfs/dbraw/zinc/02/85/21/559028521.db2.gz XHFINLUCZQNCJL-MOPGFXCFSA-N 1 1 419.547 1.306 40 0 HDABMO CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccccn2)CC1 ZINC000585106195 559028555 /nfs/dbraw/zinc/02/85/55/559028555.db2.gz BJBBPMHWCDWXGP-ZACQAIPSSA-N 1 1 406.552 1.471 40 0 HDABMO COc1cccc(CC(=O)N2CC[C@H]3[N@@H+](C)CC[C@@]3(C(=O)N3CCOCC3)CC2)c1 ZINC000096037200 559091031 /nfs/dbraw/zinc/09/10/31/559091031.db2.gz QLHBEFDYJJRRPD-NFBKMPQASA-N 1 1 415.534 1.409 40 0 HDABMO O=C(c1cnccn1)N1CCC2(C[N@@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000096062599 559094261 /nfs/dbraw/zinc/09/42/61/559094261.db2.gz ITNGDWSWMVUZMB-JOCHJYFZSA-N 1 1 406.490 1.116 40 0 HDABMO O=C(NC[C@H]1CCCO1)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3nccs3)CC2)O1 ZINC000096243756 559104913 /nfs/dbraw/zinc/10/49/13/559104913.db2.gz HTJZTVGZDCLTSJ-HZPDHXFCSA-N 1 1 417.535 1.525 40 0 HDABMO COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccccc3)[C@H]([N@@H+](C)CCO)[C@H]2O)c1 ZINC000585262358 559110908 /nfs/dbraw/zinc/11/09/08/559110908.db2.gz YKYLLRGPBHIIEE-CGXNFDGLSA-N 1 1 400.475 1.299 40 0 HDABMO NC(=O)CN1CCCC[C@H]2C[N@@H+](CC3(O)CCN(c4ccccc4F)CC3)CC[C@H]21 ZINC000585282160 559119871 /nfs/dbraw/zinc/11/98/71/559119871.db2.gz BIGBIPCOSGVSJL-AZUAARDMSA-N 1 1 418.557 1.819 40 0 HDABMO CC(=O)N1CC[N@@H+](CC2(O)CCOCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282626 559120186 /nfs/dbraw/zinc/12/01/86/559120186.db2.gz LUECJWIDWKSAQI-QFIPXVFZSA-N 1 1 406.523 1.119 40 0 HDABMO O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(C[N@@H+](CCO)Cc2ccccc2)C1 ZINC000585283620 559120608 /nfs/dbraw/zinc/12/06/08/559120608.db2.gz FOVYECAMGYBFLW-LADGPHEKSA-N 1 1 412.530 1.438 40 0 HDABMO Cc1cccc(N2CCC(O)(C[N@H+]3CC[C@@H]4[C@H](C3)CCCCN4CC(N)=O)CC2)c1 ZINC000585284469 559121176 /nfs/dbraw/zinc/12/11/76/559121176.db2.gz SLIPZVGUBMFXFC-RBBKRZOGSA-N 1 1 414.594 1.988 40 0 HDABMO C[C@@]1([N@@H+](CCO)CC2(O)CCN(c3ccccc3F)CC2)CCS(=O)(=O)C1 ZINC000585285102 559121449 /nfs/dbraw/zinc/12/14/49/559121449.db2.gz WBFLLSBMESGEQN-GOSISDBHSA-N 1 1 400.516 1.029 40 0 HDABMO Cn1cccc1C(=O)N1CCC2(C[N@@H+](Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000097952844 559124970 /nfs/dbraw/zinc/12/49/70/559124970.db2.gz DPDQTEPVFQJAIT-QHCPKHFHSA-N 1 1 407.518 1.665 40 0 HDABMO COCCN(C)C(=O)c1ccc2nnc([C@@H]3C[N@@H+](CC4CC4)CCN3C(C)C)n2c1 ZINC000107189619 559164876 /nfs/dbraw/zinc/16/48/76/559164876.db2.gz NCEDVUYBPNLQTN-IBGZPJMESA-N 1 1 414.554 1.925 40 0 HDABMO O=C(CN1CCCC1)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257205905 559282468 /nfs/dbraw/zinc/28/24/68/559282468.db2.gz BBAMASVTOGNCKP-WPFOTENUSA-N 1 1 415.578 1.772 40 0 HDABMO CN(c1ccc(OCC(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000013584800 560814998 /nfs/dbraw/zinc/81/49/98/560814998.db2.gz HSQZPFVOWNBNMZ-UHFFFAOYSA-N 1 1 403.504 1.665 40 0 HDABMO Cc1ccc(C)c(N(CCCC(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)c1 ZINC000014399387 560842170 /nfs/dbraw/zinc/84/21/70/560842170.db2.gz DTRIJIFHERXGSK-UHFFFAOYSA-N 1 1 411.568 1.688 40 0 HDABMO CNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000019824875 560875986 /nfs/dbraw/zinc/87/59/86/560875986.db2.gz GGZFTGKEJJYBKF-UHFFFAOYSA-N 1 1 404.536 1.565 40 0 HDABMO C[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000022829780 568499883 /nfs/dbraw/zinc/49/98/83/568499883.db2.gz DHCLIBQMSFVMPA-OAHLLOKOSA-N 1 1 416.975 1.248 40 0 HDABMO CC(=O)Nc1nnc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)s1 ZINC000224702288 568592929 /nfs/dbraw/zinc/59/29/29/568592929.db2.gz BZBZKFBFNOPJKL-UHFFFAOYSA-N 1 1 409.537 1.961 40 0 HDABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1 ZINC000225086380 568613201 /nfs/dbraw/zinc/61/32/01/568613201.db2.gz GXWFGXZDKQRKFP-IYBDPMFKSA-N 1 1 407.536 1.986 40 0 HDABMO CCc1nc2ccccc2n1CCC(=O)N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257218400 568781412 /nfs/dbraw/zinc/78/14/12/568781412.db2.gz DCZUZWWNVQTYCZ-SFGWALBWSA-N 1 1 400.523 1.719 40 0 HDABMO Cc1cncc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[N@@H+](C)CCO)c1 ZINC000257258260 568792465 /nfs/dbraw/zinc/79/24/65/568792465.db2.gz KTALJHBJRKQUMT-ZRNYENFQSA-N 1 1 403.454 1.132 40 0 HDABMO O=C(NC[C@@]1(O)COCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1)c1ccccn1 ZINC000257259443 568792648 /nfs/dbraw/zinc/79/26/48/568792648.db2.gz KYJWVPNMLIRBOG-QFIPXVFZSA-N 1 1 407.474 1.465 40 0 HDABMO O=C(NC[C@@]1(O)COCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1)c1ccccn1 ZINC000257259443 568792650 /nfs/dbraw/zinc/79/26/50/568792650.db2.gz KYJWVPNMLIRBOG-QFIPXVFZSA-N 1 1 407.474 1.465 40 0 HDABMO Cc1cccc2c(C)cc(=O)n(CC(=O)N3CC[C@H](O)[C@@H]([NH+]4CCOCC4)CC3)c12 ZINC000257279723 568798392 /nfs/dbraw/zinc/79/83/92/568798392.db2.gz OHXMRUOFVBIQOC-PMACEKPBSA-N 1 1 413.518 1.302 40 0 HDABMO Cc1c(C[N@@H+]2CCOC[C@@](O)(CNC(=O)c3cnccn3)C2)[nH]c2ccc(F)cc12 ZINC000257283658 568799596 /nfs/dbraw/zinc/79/95/96/568799596.db2.gz OZGMRMJTJACMML-OAQYLSRUSA-N 1 1 413.453 1.399 40 0 HDABMO Cc1c(C[N@H+]2CCOC[C@@](O)(CNC(=O)c3cnccn3)C2)[nH]c2ccc(F)cc12 ZINC000257283658 568799599 /nfs/dbraw/zinc/79/95/99/568799599.db2.gz OZGMRMJTJACMML-OAQYLSRUSA-N 1 1 413.453 1.399 40 0 HDABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)c3cnco3)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257290395 568801634 /nfs/dbraw/zinc/80/16/34/568801634.db2.gz QCUVQOFJWVKXHO-HKUYNNGSSA-N 1 1 412.490 1.748 40 0 HDABMO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@](C)(C(=O)N3CCOCC3)C2)cc1 ZINC000257332647 568814050 /nfs/dbraw/zinc/81/40/50/568814050.db2.gz XYDHNWCQZUHTMM-NRFANRHFSA-N 1 1 402.495 1.544 40 0 HDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@]2(CC[N@@H+](Cc4cccs4)C2)C3)cs1 ZINC000306141720 568903291 /nfs/dbraw/zinc/90/32/91/568903291.db2.gz WEQCQEBDALHIEQ-LJQANCHMSA-N 1 1 415.544 1.728 40 0 HDABMO Cc1nc(N[C@H](CO)C(C)C)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]1 ZINC000329035322 568973948 /nfs/dbraw/zinc/97/39/48/568973948.db2.gz RDMMBRDRWORURQ-QGZVFWFLSA-N 1 1 405.524 1.424 40 0 HDABMO O=C(NCC[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000524729302 569291436 /nfs/dbraw/zinc/29/14/36/569291436.db2.gz NHJPOQJLVGKCER-KSZLIROESA-N 1 1 424.501 1.025 40 0 HDABMO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCOCC3)C2)cc1 ZINC000052410676 569352244 /nfs/dbraw/zinc/35/22/44/569352244.db2.gz FRGBKDUBUJBGCQ-SFHVURJKSA-N 1 1 409.552 1.234 40 0 HDABMO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCOCC3)C2)cc1 ZINC000052410679 569352274 /nfs/dbraw/zinc/35/22/74/569352274.db2.gz FRGBKDUBUJBGCQ-GOSISDBHSA-N 1 1 409.552 1.234 40 0 HDABMO COCC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2CN1CCN(c2ccc(F)cc2)CC1 ZINC000008635640 291195005 /nfs/dbraw/zinc/19/50/05/291195005.db2.gz PXYDWAKECVDFSM-BBTUJRGHSA-N 1 1 404.530 1.421 40 0 biogenic,in-vitro HDABMO COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CCN(C(=O)N3CCOCC3)CC2)cs1 ZINC000225423578 291195564 /nfs/dbraw/zinc/19/55/64/291195564.db2.gz XYHAZLVWAQBHCB-MRXNPFEDSA-N 1 1 424.567 1.490 40 0 biogenic,in-vitro HDABMO COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CCN(C(=O)N3CCOCC3)CC2)cs1 ZINC000225423578 291195565 /nfs/dbraw/zinc/19/55/65/291195565.db2.gz XYHAZLVWAQBHCB-MRXNPFEDSA-N 1 1 424.567 1.490 40 0 biogenic,in-vitro HDABMO COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CCN(C(=O)C3CCOCC3)CC2)cs1 ZINC000225467522 291195574 /nfs/dbraw/zinc/19/55/74/291195574.db2.gz SDYWQYLOADVILE-QGZVFWFLSA-N 1 1 423.579 1.991 40 0 biogenic,in-vitro HDABMO COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CCN(C(=O)C3CCOCC3)CC2)cs1 ZINC000225467522 291195575 /nfs/dbraw/zinc/19/55/75/291195575.db2.gz SDYWQYLOADVILE-QGZVFWFLSA-N 1 1 423.579 1.991 40 0 biogenic,in-vitro HDABMO CCOC(=O)CN1CC[NH+](C[C@@H](O)COCCOC23CC4CC(CC(C4)C2)C3)CC1 ZINC000041689913 520779153 /nfs/dbraw/zinc/77/91/53/520779153.db2.gz AKBIHHUNUPXDEU-LOIQHOORSA-N 1 1 424.582 1.530 40 0 HDABMO CN1C(SCC(=O)Nc2ccc(Br)cc2)=[NH+][C@@H]2CS(=O)(=O)C[C@H]21 ZINC000032508635 523739677 /nfs/dbraw/zinc/73/96/77/523739677.db2.gz DXNFBXLQMOYYEB-VXGBXAGGSA-N 1 1 418.338 1.588 40 0 HDABMO CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)cc1C ZINC000408557831 557454566 /nfs/dbraw/zinc/45/45/66/557454566.db2.gz HVYHPJLJDCBEKU-QGZVFWFLSA-N 1 1 409.552 1.568 40 0 HDABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2C)CC1 ZINC000408587550 557490863 /nfs/dbraw/zinc/49/08/63/557490863.db2.gz DXDWVSFSJYBKIG-UHFFFAOYSA-N 1 1 409.552 1.713 40 0 HDABMO CC[NH+]1CCN([C@H](c2nnnn2C[C@@H]2CCCO2)c2cc(OC)ccc2OC)CC1 ZINC000035292424 557677481 /nfs/dbraw/zinc/67/74/81/557677481.db2.gz CNNSGOKDLQCJIO-PXNSSMCTSA-N 1 1 416.526 1.596 40 0 HDABMO C[N@@H+]1CCN(C(=O)Cn2cccc(C(=O)NCC3CC3)c2=O)[C@H](c2ccccc2)C1 ZINC000019750683 558270570 /nfs/dbraw/zinc/27/05/70/558270570.db2.gz UVISSJTXWCCMAH-FQEVSTJZSA-N 1 1 408.502 1.503 40 0 HDABMO C[N@H+]1CCN(C(=O)Cn2cccc(C(=O)NCC3CC3)c2=O)[C@H](c2ccccc2)C1 ZINC000019750683 558270573 /nfs/dbraw/zinc/27/05/73/558270573.db2.gz UVISSJTXWCCMAH-FQEVSTJZSA-N 1 1 408.502 1.503 40 0 HDABMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)CC1 ZINC000019933895 558311370 /nfs/dbraw/zinc/31/13/70/558311370.db2.gz ORWIBQKUSOZONA-FQEVSTJZSA-N 1 1 407.580 1.825 40 0 HDABMO CCCOc1ccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)cc1 ZINC000022401886 558487493 /nfs/dbraw/zinc/48/74/93/558487493.db2.gz YYJVLZFIWOTIKL-UHFFFAOYSA-N 1 1 413.540 1.080 40 0 HDABMO Cc1cc(Cl)ccc1N(CC(=O)NCCC[NH+]1CCN(C)CC1)S(C)(=O)=O ZINC000022933439 558525178 /nfs/dbraw/zinc/52/51/78/558525178.db2.gz UPTXEFSEFFJGJE-UHFFFAOYSA-N 1 1 416.975 1.168 40 0 HDABMO Cc1nc(N2CC[NH+](CCO)CC2)[nH]c(=O)c1Cc1ccc(Br)cc1 ZINC000024252107 558593240 /nfs/dbraw/zinc/59/32/40/558593240.db2.gz OEOUTLSTMPOQBP-UHFFFAOYSA-N 1 1 407.312 1.546 40 0 HDABMO COC(=O)c1cccc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000024361054 558596065 /nfs/dbraw/zinc/59/60/65/558596065.db2.gz DJDXEJXKVCICOM-UHFFFAOYSA-N 1 1 404.488 1.784 40 0 HDABMO CCN(CC)S(=O)(=O)c1cc(C(=O)NCCC[NH+]2CCOCC2)ccc1OC ZINC000039986409 558824085 /nfs/dbraw/zinc/82/40/85/558824085.db2.gz YSKKUHDHOGSEMS-UHFFFAOYSA-N 1 1 413.540 1.178 40 0 HDABMO O=C1CC[N@@H+](Cc2ccccc2)CCN1CCc1noc(CSc2nc[nH]n2)n1 ZINC000019371763 558879258 /nfs/dbraw/zinc/87/92/58/558879258.db2.gz AOPHXUOPOVFTQQ-UHFFFAOYSA-N 1 1 413.507 1.757 40 0 HDABMO CC(C)[C@H](NC(=O)c1cccc(F)c1F)c1cc(=O)[nH]c(N2CC[NH+](C)CC2)n1 ZINC000019445533 558885809 /nfs/dbraw/zinc/88/58/09/558885809.db2.gz YINVGOSADVQFAU-SFHVURJKSA-N 1 1 405.449 1.927 40 0 HDABMO COc1cc(C[N@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)cc(OC)c1OC ZINC000019549888 558914670 /nfs/dbraw/zinc/91/46/70/558914670.db2.gz DJFQNUCGSJVYRD-UHFFFAOYSA-N 1 1 414.506 1.997 40 0 HDABMO CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000019589752 558940573 /nfs/dbraw/zinc/94/05/73/558940573.db2.gz LPSIUMWGBWKQTN-UHFFFAOYSA-N 1 1 417.531 1.660 40 0 HDABMO CN(C)c1cc(C[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)CC[N@H+](C)C2)ncn1 ZINC000072355121 558952403 /nfs/dbraw/zinc/95/24/03/558952403.db2.gz CEFVJDGENVBBHP-OAHLLOKOSA-N 1 1 407.515 1.477 40 0 HDABMO CN(C)c1cc(C[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)CC[N@@H+](C)C2)ncn1 ZINC000072355121 558952404 /nfs/dbraw/zinc/95/24/04/558952404.db2.gz CEFVJDGENVBBHP-OAHLLOKOSA-N 1 1 407.515 1.477 40 0 HDABMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000096833173 558988742 /nfs/dbraw/zinc/98/87/42/558988742.db2.gz KYBSGTWCHDEYMC-OLCWMNRJSA-N 1 1 405.882 1.548 40 0 HDABMO CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000585106030 559028258 /nfs/dbraw/zinc/02/82/58/559028258.db2.gz GDZIIHFQVKQRBV-MOPGFXCFSA-N 1 1 405.564 1.685 40 0 HDABMO COc1ccc(CC(=O)N2CC[C@H]3[N@@H+](C)CC[C@@]3(C(=O)N3CCOCC3)CC2)cc1 ZINC000096145295 559097250 /nfs/dbraw/zinc/09/72/50/559097250.db2.gz QCKIUTIGFGPZBJ-NFBKMPQASA-N 1 1 415.534 1.409 40 0 HDABMO C[N@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@H](O)COc1ccccc1 ZINC000585262522 559111015 /nfs/dbraw/zinc/11/10/15/559111015.db2.gz KHFCHVBEGUSPDN-FQEVSTJZSA-N 1 1 414.502 1.796 40 0 HDABMO COCCOc1cc(C[N@@H+](C)C[C@]2(O)CCN(c3cc(C)ncn3)C2)ccc1OC ZINC000585269726 559116068 /nfs/dbraw/zinc/11/60/68/559116068.db2.gz JBLSKZAXZALASQ-JOCHJYFZSA-N 1 1 416.522 1.892 40 0 HDABMO C[N@@H+](Cc1cccc(CN2CCOCC2)c1)C[C@@]1(O)CCCN(c2ncccn2)C1 ZINC000585273000 559117284 /nfs/dbraw/zinc/11/72/84/559117284.db2.gz OCMXWNDAPMSGNB-QHCPKHFHSA-N 1 1 411.550 1.772 40 0 HDABMO COCC(=O)N1CC[N@H+](C2CCOCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585281852 559119516 /nfs/dbraw/zinc/11/95/16/559119516.db2.gz COTDNVLLXWQIHW-QFIPXVFZSA-N 1 1 406.523 1.383 40 0 HDABMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)[NH2+][C@@]21C(=O)Nc2c1cc(C)cc2Cl ZINC000105351331 559162694 /nfs/dbraw/zinc/16/26/94/559162694.db2.gz MHUDSBSAPUUZHC-PQBFNKPUSA-N 1 1 405.882 1.548 40 0 HDABMO COc1ccc(CN2CC3(C2)CN(C(=O)Cc2ccccc2)C[C@@H]2C[C@@H](O)C[N@H+]23)cc1 ZINC000514289154 560033243 /nfs/dbraw/zinc/03/32/43/560033243.db2.gz IRNJUKPSAHGNPU-FCHUYYIVSA-N 1 1 421.541 1.770 40 0 biogenic,in-vitro HDABMO COc1ccc(CN2CC3(C2)CN(C(=O)Cc2ccccc2)C[C@@H]2C[C@@H](O)C[N@@H+]23)cc1 ZINC000514289154 560033245 /nfs/dbraw/zinc/03/32/45/560033245.db2.gz IRNJUKPSAHGNPU-FCHUYYIVSA-N 1 1 421.541 1.770 40 0 biogenic,in-vitro HDABMO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1cc(Cl)ccc1Cl ZINC000013566843 560813779 /nfs/dbraw/zinc/81/37/79/560813779.db2.gz HFPOCACEGPRKQM-UHFFFAOYSA-N 1 1 424.350 1.598 40 0 HDABMO CN(c1ccc2sc(C(=O)NCCC[NH+]3CCOCC3)cc2c1)S(C)(=O)=O ZINC000223074008 568536511 /nfs/dbraw/zinc/53/65/11/568536511.db2.gz YYQOEGUDIZBUKI-UHFFFAOYSA-N 1 1 411.549 1.749 40 0 HDABMO C[NH+](C)CCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000225520054 568646282 /nfs/dbraw/zinc/64/62/82/568646282.db2.gz BUVSKEVPUASZGY-UHFFFAOYSA-N 1 1 403.917 1.674 40 0 HDABMO CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000260903943 568743610 /nfs/dbraw/zinc/74/36/10/568743610.db2.gz YIVHAJDTXHSYHJ-IBGZPJMESA-N 1 1 409.552 1.197 40 0 HDABMO O=C1NC/C=C/CC2(CC[NH+](Cc3ncc[nH]3)CC2)C(=O)NCCOc2ccccc21 ZINC000257207069 568778112 /nfs/dbraw/zinc/77/81/12/568778112.db2.gz BGFAZVNMAKODCK-ONEGZZNKSA-N 1 1 423.517 1.877 40 0 HDABMO CC(C)Cc1nc2ccccc2n1CC(=O)N1CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257323085 568811194 /nfs/dbraw/zinc/81/11/94/568811194.db2.gz WIRXJIDVSJYISP-SFTDATJTSA-N 1 1 414.550 1.919 40 0 HDABMO Cc1ncsc1C[N@H+]1CC[C@@]2(CCn3c2nn(Cc2cccs2)c(=O)c3=O)C1 ZINC000306133523 568895557 /nfs/dbraw/zinc/89/55/57/568895557.db2.gz MNVXRFRGQDYCRZ-LJQANCHMSA-N 1 1 415.544 1.827 40 0 HDABMO C[NH+]1CCN(c2cc3c(nn2)CCN(S(=O)(=O)Cc2ccccc2)CC3)CC1 ZINC000306136496 568898427 /nfs/dbraw/zinc/89/84/27/568898427.db2.gz PVCRPXIKCNBNDF-UHFFFAOYSA-N 1 1 401.536 1.159 40 0 HDABMO Cc1cccc(C[N@H+]2CC[C@]3(Cc4nn(Cc5ccccc5)c(=O)c(=O)n4C3)C2)n1 ZINC000306137092 568898814 /nfs/dbraw/zinc/89/88/14/568898814.db2.gz QLHYJAACTYKFJC-QHCPKHFHSA-N 1 1 403.486 1.605 40 0 HDABMO COc1ncccc1C[N@@H+]1C[C@@H]2c3nn(Cc4ccc(C)cc4)c(=O)c(=O)n3C[C@@H]2C1 ZINC000306137042 568899024 /nfs/dbraw/zinc/89/90/24/568899024.db2.gz QJZVRTKEZVTWBV-OALUTQOASA-N 1 1 419.485 1.395 40 0 HDABMO COc1ccc(C[N@H+]2C[C@@H]3Cn4c(nn(Cc5ccc(C)cc5)c(=O)c4=O)[C@H]3C2)cc1 ZINC000306139965 568901800 /nfs/dbraw/zinc/90/18/00/568901800.db2.gz UFNYHSJPKOBJNO-CTNGQTDRSA-N 1 1 418.497 2.000 40 0 HDABMO C[N@H+]1C[C@H](C(=O)NCc2cccs2)[C@]2(C1)CCCN(C(=O)N1CCOCC1)CC2 ZINC000306144896 568906295 /nfs/dbraw/zinc/90/62/95/568906295.db2.gz ZRPTZVFQSHPONY-WIYYLYMNSA-N 1 1 420.579 1.850 40 0 HDABMO CC(C)c1nc(NCCCO)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]1 ZINC000328955929 568969575 /nfs/dbraw/zinc/96/95/75/568969575.db2.gz AEEQMHHBWCVURI-UHFFFAOYSA-N 1 1 405.524 1.604 40 0 HDABMO Cc1nc(N[C@@H](CO)C(C)C)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]1 ZINC000329035320 568973976 /nfs/dbraw/zinc/97/39/76/568973976.db2.gz RDMMBRDRWORURQ-KRWDZBQOSA-N 1 1 405.524 1.424 40 0 HDABMO COCCn1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000253499261 569317766 /nfs/dbraw/zinc/31/77/66/569317766.db2.gz SEABKHQAIUEJCC-PXNSSMCTSA-N 1 1 423.521 1.751 40 0 HDABMO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)n1 ZINC000019694736 569346642 /nfs/dbraw/zinc/34/66/42/569346642.db2.gz VZUFXNQCZDEWKW-SFHVURJKSA-N 1 1 422.533 1.720 40 0 HDABMO CN1C[C@H](NC(=O)c2ccccc2)CCC[C@@H](C(=O)N2CC[NH+](C)CC2)CC1=O ZINC000225405643 291193698 /nfs/dbraw/zinc/19/36/98/291193698.db2.gz HXXXBVGCMUZNLV-RTBURBONSA-N 1 1 400.523 1.208 40 0 biogenic,in-vitro HDABMO COc1ccc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c3ccc(NC(=O)C[NH+](C)C)c2=O)cc1 ZINC000004277707 291196386 /nfs/dbraw/zinc/19/63/86/291196386.db2.gz OCOHSFFTYLYAMA-DOTOQJQBSA-N 1 1 424.501 1.617 40 0 biogenic,in-vitro HDABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 ZINC000044885918 527384266 /nfs/dbraw/zinc/38/42/66/527384266.db2.gz BZPDYAJUPGFWBE-UHFFFAOYSA-N 1 1 405.524 1.315 40 0 HDABMO Cc1[nH+]ccn1C[C@H]1CCCN(C(=O)Cn2cccc(C(=O)NCC3CC3)c2=O)C1 ZINC000019750562 558270507 /nfs/dbraw/zinc/27/05/07/558270507.db2.gz SXNZAQKCDZXNNQ-GOSISDBHSA-N 1 1 411.506 1.432 40 0 HDABMO Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCC[NH+]1CCOCC1 ZINC000020061830 558329576 /nfs/dbraw/zinc/32/95/76/558329576.db2.gz NEOAZEQSKFKMBO-UHFFFAOYSA-N 1 1 423.579 1.868 40 0 HDABMO COc1ccc(CC(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c2ccccc12 ZINC000012325563 558382982 /nfs/dbraw/zinc/38/29/82/558382982.db2.gz NHWZZBLFJWVTIN-KRWDZBQOSA-N 1 1 404.532 1.968 40 0 HDABMO [NH2+]=C1Nc2nc(=O)c3ccccc3n2[C@]2(N1)C(=O)Nc1ccc(Br)cc12 ZINC000039921222 558686564 /nfs/dbraw/zinc/68/65/64/558686564.db2.gz PGCGIWCSTRGWHF-KRWDZBQOSA-N 1 1 411.219 1.552 40 0 HDABMO O[C@@H](COC1CCCCC1)C[NH+]1CCN(Cc2ccnc(N3CCCC3)n2)CC1 ZINC000019404053 558884466 /nfs/dbraw/zinc/88/44/66/558884466.db2.gz ZJIWCJPLAAGICK-HXUWFJFHSA-N 1 1 403.571 1.905 40 0 HDABMO CSc1ncc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)cn1 ZINC000019574132 558931772 /nfs/dbraw/zinc/93/17/72/558931772.db2.gz QVVPVPRUEBUMQE-HNNXBMFYSA-N 1 1 402.524 1.498 40 0 HDABMO COc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2cnc(N(C)C)nc2)C3)c(OC)n1 ZINC000019585480 558939070 /nfs/dbraw/zinc/93/90/70/558939070.db2.gz IGAQETPFULVFQK-GWTOYCKXSA-N 1 1 414.510 1.470 40 0 HDABMO COC[C@H]1CN(C(=O)C2CCN(C(C)=O)CC2)CC[N@@H+](CCc2ccccc2)C1 ZINC000072354518 558951839 /nfs/dbraw/zinc/95/18/39/558951839.db2.gz TYTWZKDNXAGMDI-OAQYLSRUSA-N 1 1 401.551 1.894 40 0 HDABMO O=C1NC2(CCN(S(=O)(=O)c3ccccn3)CC2)[C@H]2C[N@@H+](CC3CCCC3)C[C@@H]12 ZINC000585106216 559028529 /nfs/dbraw/zinc/02/85/29/559028529.db2.gz FDSDEQAGZBZLOI-MSOLQXFVSA-N 1 1 418.563 1.473 40 0 HDABMO Cc1cc(CN2C(=O)C[C@H]3[C@@H]2CC[N@H+]3Cc2ccnc(N3CCOCC3)c2)n(C)n1 ZINC000585108914 559030300 /nfs/dbraw/zinc/03/03/00/559030300.db2.gz DBYCZNKTBOIKHG-PMACEKPBSA-N 1 1 410.522 1.336 40 0 HDABMO CN(C)C(=O)CNC(=O)c1ccc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000096156150 559100261 /nfs/dbraw/zinc/10/02/61/559100261.db2.gz YUSCBGAQJBYTSA-QGZVFWFLSA-N 1 1 406.490 1.537 40 0 HDABMO CC(=O)N1CCC([N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585281578 559119395 /nfs/dbraw/zinc/11/93/95/559119395.db2.gz LGPNMJPNPUTVLA-QFIPXVFZSA-N 1 1 403.523 1.280 40 0 HDABMO CCOC(=O)N1CCC([N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)CC1 ZINC000585283021 559120368 /nfs/dbraw/zinc/12/03/68/559120368.db2.gz OSMFADHESIMOHU-QFIPXVFZSA-N 1 1 419.522 1.582 40 0 HDABMO Cc1cc(OC[C@@]2(CC(N)=O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)ccc1Cl ZINC000585284674 559121298 /nfs/dbraw/zinc/12/12/98/559121298.db2.gz HZZBNKFEPFHAGX-FOIQADDNSA-N 1 1 409.914 1.452 40 0 HDABMO C[C@]1([N@@H+](CCO)CC2(O)CCN(c3ccccc3F)CC2)CCS(=O)(=O)C1 ZINC000585285104 559121455 /nfs/dbraw/zinc/12/14/55/559121455.db2.gz WBFLLSBMESGEQN-SFHVURJKSA-N 1 1 400.516 1.029 40 0 HDABMO CC(=O)N1CCO[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000585286357 559121970 /nfs/dbraw/zinc/12/19/70/559121970.db2.gz OEFMNIGRXOMMCY-NRFANRHFSA-N 1 1 423.941 1.809 40 0 HDABMO C[N@@H+](Cc1ccc(Cl)cc1)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O ZINC000585290321 559122799 /nfs/dbraw/zinc/12/27/99/559122799.db2.gz AGVHUAYMBOBNON-MOPGFXCFSA-N 1 1 410.923 1.568 40 0 HDABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000103516495 559155999 /nfs/dbraw/zinc/15/59/99/559155999.db2.gz RIXZPJMVHKAKIZ-LCONNIHZSA-N 1 1 415.877 1.746 40 0 HDABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000103516495 559156000 /nfs/dbraw/zinc/15/60/00/559156000.db2.gz RIXZPJMVHKAKIZ-LCONNIHZSA-N 1 1 415.877 1.746 40 0 HDABMO CC(C)N1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)NCCc3ccccn3)cn21 ZINC000107189572 559164848 /nfs/dbraw/zinc/16/48/48/559164848.db2.gz FKVUWALRVGKIFZ-IBGZPJMESA-N 1 1 407.522 1.794 40 0 HDABMO CC(C)N1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)NCCc3ccccn3)cn21 ZINC000107189572 559164850 /nfs/dbraw/zinc/16/48/50/559164850.db2.gz FKVUWALRVGKIFZ-IBGZPJMESA-N 1 1 407.522 1.794 40 0 HDABMO O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3ccccc3F)C2)C1 ZINC000514290258 560030083 /nfs/dbraw/zinc/03/00/83/560030083.db2.gz VVBIZEHSSAGJMU-NHCUHLMSSA-N 1 1 409.505 1.900 40 0 biogenic,in-vitro HDABMO O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3ccccc3F)C2)C1 ZINC000514290258 560030084 /nfs/dbraw/zinc/03/00/84/560030084.db2.gz VVBIZEHSSAGJMU-NHCUHLMSSA-N 1 1 409.505 1.900 40 0 biogenic,in-vitro HDABMO C=C1[NH+]=C(SCC(N)=O)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408990917 560662148 /nfs/dbraw/zinc/66/21/48/560662148.db2.gz OYNIANSTCUPZHV-MRXNPFEDSA-N 1 1 423.491 1.768 40 0 HDABMO C[NH+]1CCN(N2CN=C3N[C@@H](c4ccc(F)cc4)n4c5ccccc5nc4N3C2)CC1 ZINC000019171510 560872371 /nfs/dbraw/zinc/87/23/71/560872371.db2.gz QPYXLYSYZLKLJA-HXUWFJFHSA-N 1 1 420.496 1.881 40 0 HDABMO O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)NCCC[NH+]1CCOCC1 ZINC000219152515 568487319 /nfs/dbraw/zinc/48/73/19/568487319.db2.gz QNDUHUPVXSISLY-UHFFFAOYSA-N 1 1 415.515 1.701 40 0 HDABMO CC[NH+]1CCN(C(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)CC1 ZINC000023410326 568509700 /nfs/dbraw/zinc/50/97/00/568509700.db2.gz BCHIPWHHAJRJNX-UHFFFAOYSA-N 1 1 404.330 1.379 40 0 HDABMO CN(c1cccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1)S(C)(=O)=O ZINC000224750029 568595091 /nfs/dbraw/zinc/59/50/91/568595091.db2.gz PYBXFKUMPCKYAN-UHFFFAOYSA-N 1 1 417.531 1.845 40 0 HDABMO COc1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@H](C)C2)cc1N1C(=O)CCC1=O ZINC000260764722 568738056 /nfs/dbraw/zinc/73/80/56/568738056.db2.gz LNWMUILBRPBWSX-HNNXBMFYSA-N 1 1 423.535 1.749 40 0 HDABMO C[C@@H]1CN(c2ncc3c(n2)[C@]2(CC[N@@H+](Cc4cccnc4N)C2)COC3)C[C@@H](C)O1 ZINC000253603057 568755119 /nfs/dbraw/zinc/75/51/19/568755119.db2.gz IOXVYOVSVKPCPV-MCFFVMPBSA-N 1 1 410.522 1.741 40 0 HDABMO CN1C(=O)CCCC[C@@H]2[C@@H]1CC[N@H+]2CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000257207132 568778153 /nfs/dbraw/zinc/77/81/53/568778153.db2.gz BGMAQHIDEKUQFT-VQTJNVASSA-N 1 1 402.514 1.950 40 0 HDABMO Cc1cc2[nH]c(CCC(=O)N[C@@H]3CCC[C@@H]([NH+]4CCOCC4)[C@@H]3O)nc2c(C)c1 ZINC000257265802 568794417 /nfs/dbraw/zinc/79/44/17/568794417.db2.gz MAIZTAOESNHSBP-RADWXHQJSA-N 1 1 400.523 1.843 40 0 HDABMO COc1ccc(S(=O)(=O)CCNC(=O)[C@@H]2CN(c3ccc(F)cc3)CC[NH2+]2)cc1 ZINC000257272249 568796177 /nfs/dbraw/zinc/79/61/77/568796177.db2.gz NBQDQDSVZZVMQM-IBGZPJMESA-N 1 1 421.494 1.203 40 0 HDABMO Cc1cc2cc(OCC(=O)N(C)[C@@H]3CC[C@@H]([NH+]4CCOCC4)[C@@H]3O)ccc2n1C ZINC000257283798 568799498 /nfs/dbraw/zinc/79/94/98/568799498.db2.gz OZWSBINPCUNVAD-KCZVDYSFSA-N 1 1 401.507 1.548 40 0 HDABMO COc1ccc(C[N@@H+](C)C[C@]2(O)CCCN(C(=O)c3cc(C)nc(N)n3)CC2)cc1 ZINC000257286457 568800584 /nfs/dbraw/zinc/80/05/84/568800584.db2.gz PLQQDMNOJHOIGZ-QFIPXVFZSA-N 1 1 413.522 1.865 40 0 HDABMO CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](N(C)C(=O)COc3ccc(Cl)c(C)c3)[C@H]2O)CC1 ZINC000257313425 568808111 /nfs/dbraw/zinc/80/81/11/568808111.db2.gz USHUTOJXEPGJDV-SFHLNBCPSA-N 1 1 423.941 1.542 40 0 HDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CC[N@@H+](Cc3cccnc3)C2)cs1 ZINC000306125971 568888502 /nfs/dbraw/zinc/88/85/02/568888502.db2.gz DHTBHYCCHHGEFC-HXUWFJFHSA-N 1 1 410.503 1.161 40 0 HDABMO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@@]1(CC[N@H+](Cc3cccnc3)C1)C2 ZINC000306132236 568894310 /nfs/dbraw/zinc/89/43/10/568894310.db2.gz LCKJCZONZULMKQ-JOCHJYFZSA-N 1 1 411.506 1.555 40 0 HDABMO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@@]1(CC[N@@H+](Cc3cccnc3)C1)C2 ZINC000306132236 568894311 /nfs/dbraw/zinc/89/43/11/568894311.db2.gz LCKJCZONZULMKQ-JOCHJYFZSA-N 1 1 411.506 1.555 40 0 HDABMO Cc1nc(CN2C[C@@H]3C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]3S2(=O)=O)cs1 ZINC000306137051 568899016 /nfs/dbraw/zinc/89/90/16/568899016.db2.gz QKHKLEVDPPNXQK-KBXCAEBGSA-N 1 1 407.517 1.826 40 0 HDABMO Cc1nc(CN2C[C@@H]3C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]3S2(=O)=O)cs1 ZINC000306137051 568899017 /nfs/dbraw/zinc/89/90/17/568899017.db2.gz QKHKLEVDPPNXQK-KBXCAEBGSA-N 1 1 407.517 1.826 40 0 HDABMO CCn1cc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)cn1 ZINC000306139347 568901119 /nfs/dbraw/zinc/90/11/19/568901119.db2.gz SUZGZRHPDFOQJJ-RBUKOAKNSA-N 1 1 405.506 1.729 40 0 HDABMO O=c1c(=O)n(Cc2ccccc2)nc2n1CCC21CC[NH+](Cc2nccs2)CC1 ZINC000306140213 568902128 /nfs/dbraw/zinc/90/21/28/568902128.db2.gz UNANEWCFHPIZOY-UHFFFAOYSA-N 1 1 409.515 1.847 40 0 HDABMO Cc1ccc(C(=O)N2CCc3nc4n(c(=O)c3C2)CC[C@@]42CC[N@@H+](CC3CC3)C2)nc1 ZINC000306143016 568904657 /nfs/dbraw/zinc/90/46/57/568904657.db2.gz XQZVJWUUAAIVGR-XMMPIXPASA-N 1 1 419.529 1.902 40 0 HDABMO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@@]1(CC[N@H+](Cc3nccs3)C1)C2 ZINC000306144683 568906104 /nfs/dbraw/zinc/90/61/04/568906104.db2.gz ZMBLPGJPXFERJJ-FQEVSTJZSA-N 1 1 413.478 1.497 40 0 HDABMO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@@]1(CC[N@@H+](Cc3nccs3)C1)C2 ZINC000306144683 568906107 /nfs/dbraw/zinc/90/61/07/568906107.db2.gz ZMBLPGJPXFERJJ-FQEVSTJZSA-N 1 1 413.478 1.497 40 0 HDABMO COc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CC[NH+](C)CC3)c(=O)[nH]c2c1 ZINC000020084017 569030993 /nfs/dbraw/zinc/03/09/93/569030993.db2.gz BNETXOAPEUPURE-SFHVURJKSA-N 1 1 411.510 1.615 40 0 HDABMO CC[NH+]1CCN(C(=S)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)CC1 ZINC000006953501 569335648 /nfs/dbraw/zinc/33/56/48/569335648.db2.gz CPYSUMWNNHQJAN-UHFFFAOYSA-N 1 1 407.536 1.246 40 0 HDABMO C[NH+]1CCN(C(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)CC1 ZINC000008091752 569339507 /nfs/dbraw/zinc/33/95/07/569339507.db2.gz ZGNONYHMUQRBGW-UHFFFAOYSA-N 1 1 407.426 1.418 40 0 HDABMO CC(C)[C@H]([NH2+][C@@H]1C=CS(=O)(=O)C1)C(=O)N1CCC[C@@H](c2[nH]nc3ncccc32)C1 ZINC000019086303 569345309 /nfs/dbraw/zinc/34/53/09/569345309.db2.gz JFIMIYNSEVRIKM-INMHGKMJSA-N 1 1 417.535 1.589 40 0 HDABMO CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000019590928 569345731 /nfs/dbraw/zinc/34/57/31/569345731.db2.gz QLTKKQPPIIXFGW-FOIQADDNSA-N 1 1 422.489 1.096 40 0 HDABMO CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000019590928 569345732 /nfs/dbraw/zinc/34/57/32/569345732.db2.gz QLTKKQPPIIXFGW-FOIQADDNSA-N 1 1 422.489 1.096 40 0 HDABMO CNc1cc(CN(C)C(C)=O)nc(C2CC[NH+](CC(=O)N3CCC[C@@H](C)C3)CC2)n1 ZINC000019710148 569348150 /nfs/dbraw/zinc/34/81/50/569348150.db2.gz CQEVOCIBKHYEQP-MRXNPFEDSA-N 1 1 416.570 1.935 40 0 HDABMO COc1ccc(S(=O)(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000028087789 569350054 /nfs/dbraw/zinc/35/00/54/569350054.db2.gz LSOSMDCIRMXXMQ-UHFFFAOYSA-N 1 1 403.504 1.318 40 0 HDABMO COc1cccc(NC(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2[N@@H+](C)Cc2ccccc2)c1 ZINC000020465955 575368468 /nfs/dbraw/zinc/36/84/68/575368468.db2.gz APFSSVGQYAHOBT-PLACYPQZSA-N 1 1 415.490 1.438 40 0 biogenic,in-vitro HDABMO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](CC)CC3)CC2)cc1C ZINC000408559071 557456444 /nfs/dbraw/zinc/45/64/44/557456444.db2.gz LATVRKJADPTSEO-UHFFFAOYSA-N 1 1 423.579 1.959 40 0 HDABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)CC1 ZINC000408625283 557557268 /nfs/dbraw/zinc/55/72/68/557557268.db2.gz RTCKYZXYRNLRCI-UHFFFAOYSA-N 1 1 409.552 1.650 40 0 HDABMO COc1ccc(NC(=O)C[S@](=O)CC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000035311233 557693270 /nfs/dbraw/zinc/69/32/70/557693270.db2.gz HFFTZBBYFXSQAJ-GDLZYMKVSA-N 1 1 421.563 1.859 40 0 HDABMO O=C(NCCC[NH+]1CCOCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000408703210 557728253 /nfs/dbraw/zinc/72/82/53/557728253.db2.gz PSLYWUBYQWDTDS-UHFFFAOYSA-N 1 1 415.943 1.577 40 0 HDABMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)CC1 ZINC000408713478 557750287 /nfs/dbraw/zinc/75/02/87/557750287.db2.gz AXVSLGDGRMMBEE-HNNXBMFYSA-N 1 1 413.515 1.399 40 0 HDABMO Cc1ccc(Cn2c(=O)c3c(nc4n3[C@@H](C)C(C)=[NH+]N4CCCO)n(C)c2=O)cc1 ZINC000010362067 557861684 /nfs/dbraw/zinc/86/16/84/557861684.db2.gz KGXDIJXQBAUMRA-HNNXBMFYSA-N 1 1 410.478 1.393 40 0 HDABMO COCC(=O)N1CCO[C@H](c2cc(C(=O)N3CC[NH+](C)CC3)c3ccccc3n2)C1 ZINC000019762791 558277403 /nfs/dbraw/zinc/27/74/03/558277403.db2.gz PYJQTYHEMDODLG-FQEVSTJZSA-N 1 1 412.490 1.169 40 0 HDABMO C[NH+](C)CCN(C(=O)Cc1csc(-c2ccccn2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000012325581 558383243 /nfs/dbraw/zinc/38/32/43/558383243.db2.gz XKCHCHTVJUEJBN-OAHLLOKOSA-N 1 1 408.549 1.325 40 0 HDABMO C[NH+]1CCN(C(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000022231266 558469426 /nfs/dbraw/zinc/46/94/26/558469426.db2.gz CSRKUFQIYTXJIT-UHFFFAOYSA-N 1 1 417.531 1.806 40 0 HDABMO CC[C@@H](C(=O)NCCC[NH+]1CCOCC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715910 558579208 /nfs/dbraw/zinc/57/92/08/558579208.db2.gz UCGWCSFCJIMJMV-KRWDZBQOSA-N 1 1 401.504 1.209 40 0 HDABMO C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)CN2CC[NH+](C)CC2)cc1 ZINC000035313646 558789783 /nfs/dbraw/zinc/78/97/83/558789783.db2.gz XPHIWINFEWLEMK-CALCHBBNSA-N 1 1 408.568 1.824 40 0 HDABMO C[C@H]1CN(c2nccc([C@@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C(=O)N(C)C)n2)C[C@H](C)O1 ZINC000072330535 558934760 /nfs/dbraw/zinc/93/47/60/558934760.db2.gz UVWNBTKHBFWNMH-RAUXBKROSA-N 1 1 424.549 1.789 40 0 HDABMO COc1ccc2c(c1)C(=O)N[C@]1(C[N@@H+](Cc3ccccn3)C[C@@H]1C(=O)N(C)C)CC2 ZINC000019580962 558936611 /nfs/dbraw/zinc/93/66/11/558936611.db2.gz DPHILDIXACQSJF-OFNKIYASSA-N 1 1 408.502 1.725 40 0 HDABMO C[N@H+]1C[C@H](C(=O)NCCc2ccc(F)cc2)[C@@H](c2ccnc(N3CCOCC3)n2)C1 ZINC000019590795 558940882 /nfs/dbraw/zinc/94/08/82/558940882.db2.gz KPVIQLMXAHWFFD-OALUTQOASA-N 1 1 413.497 1.456 40 0 HDABMO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2nc3c(c(NC)n2)CN(C(C)=O)CC3)C1 ZINC000019710608 558972862 /nfs/dbraw/zinc/97/28/62/558972862.db2.gz WWBYVTYSBCXULB-MRXNPFEDSA-N 1 1 402.543 1.471 40 0 HDABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2nc3c(c(NC)n2)CN(C(C)=O)CC3)C1 ZINC000019710608 558972863 /nfs/dbraw/zinc/97/28/63/558972863.db2.gz WWBYVTYSBCXULB-MRXNPFEDSA-N 1 1 402.543 1.471 40 0 HDABMO COC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccn1)CC2 ZINC000585103713 559025716 /nfs/dbraw/zinc/02/57/16/559025716.db2.gz ITGKBSJGOJXADQ-IRXDYDNUSA-N 1 1 423.535 1.279 40 0 HDABMO COC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccn1)CC2 ZINC000585103713 559025717 /nfs/dbraw/zinc/02/57/17/559025717.db2.gz ITGKBSJGOJXADQ-IRXDYDNUSA-N 1 1 423.535 1.279 40 0 HDABMO C[C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CCN(S(=O)(=O)c2ccccc2)CC3)C[C@H]1O ZINC000585103798 559025793 /nfs/dbraw/zinc/02/57/93/559025793.db2.gz KDINCNGSWSZECU-WSTZPKSXSA-N 1 1 408.564 1.949 40 0 HDABMO CCOC(=O)[C@H]1CN2CCN(C(=O)C3(F)CCC3)C[C@H]2C[N@H+](Cc2ccco2)C1 ZINC000585108162 559029805 /nfs/dbraw/zinc/02/98/05/559029805.db2.gz JMVYFQQWRHDUNM-IAGOWNOFSA-N 1 1 407.486 1.680 40 0 HDABMO CCOC(=O)[C@H]1CN2CCN(C(=O)C3(F)CCC3)C[C@H]2C[N@@H+](Cc2ccco2)C1 ZINC000585108162 559029806 /nfs/dbraw/zinc/02/98/06/559029806.db2.gz JMVYFQQWRHDUNM-IAGOWNOFSA-N 1 1 407.486 1.680 40 0 HDABMO COc1ncc(C[N@H+]2C[C@@H](C(=O)NCC3CCOCC3)C[C@H]3OCC[C@H]32)cc1C ZINC000585108758 559030310 /nfs/dbraw/zinc/03/03/10/559030310.db2.gz XIVUZGJULNYAFS-XUVXKRRUSA-N 1 1 403.523 1.921 40 0 HDABMO O=C(c1ccncn1)N1CCC2(C[N@@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000096262534 559106478 /nfs/dbraw/zinc/10/64/78/559106478.db2.gz WOCYMMNWRJXBLI-JOCHJYFZSA-N 1 1 406.490 1.116 40 0 HDABMO CN1CCN(c2ncnc3c2c(C(=O)NCC[NH+]2CCCC2)c2ccccn23)CC1 ZINC000096264412 559107530 /nfs/dbraw/zinc/10/75/30/559107530.db2.gz VPQBVNDRRDXPQJ-UHFFFAOYSA-N 1 1 407.522 1.460 40 0 HDABMO COCCOc1cc(C[N@@H+](C)C[C@@]2(O)CCN(c3cc(C)ncn3)C2)ccc1OC 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/nfs/dbraw/zinc/28/29/09/559282909.db2.gz DEMZPXAGKFQLHD-DEOSSOPVSA-N 1 1 411.546 1.817 40 0 HDABMO O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3cccc(Cl)c3)C2)C1 ZINC000514290246 560030039 /nfs/dbraw/zinc/03/00/39/560030039.db2.gz VNEYEPXMYHNZLT-VQTJNVASSA-N 1 1 412.921 1.881 40 0 biogenic,in-vitro HDABMO O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3cccc(Cl)c3)C2)C1 ZINC000514290246 560030040 /nfs/dbraw/zinc/03/00/40/560030040.db2.gz VNEYEPXMYHNZLT-VQTJNVASSA-N 1 1 412.921 1.881 40 0 biogenic,in-vitro HDABMO O=C(Cc1ccccc1)N1CC2(C1)C[N@H+](CCc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514288944 560033547 /nfs/dbraw/zinc/03/35/47/560033547.db2.gz HDRMIXHKFHUVAA-DHIUTWEWSA-N 1 1 405.542 1.804 40 0 biogenic,in-vitro HDABMO C[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2Cl)CC1 ZINC000409389744 560720557 /nfs/dbraw/zinc/72/05/57/560720557.db2.gz ISFASMQTGVRSPP-UHFFFAOYSA-N 1 1 401.916 1.277 40 0 HDABMO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)C)N3CC[NH+](C)CC3)cc2c1 ZINC000019519905 560874390 /nfs/dbraw/zinc/87/43/90/560874390.db2.gz AXULMORSAAIHJB-IBGZPJMESA-N 1 1 411.510 1.831 40 0 HDABMO O=C(NCCC[NH+]1CCOCC1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000220005771 568501165 /nfs/dbraw/zinc/50/11/65/568501165.db2.gz KEZSCOPKCROVHQ-UHFFFAOYSA-N 1 1 409.552 1.703 40 0 HDABMO CN(C)S(=O)(=O)N(C)CC(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000225961368 568689171 /nfs/dbraw/zinc/68/91/71/568689171.db2.gz QZIPHJLRVBVBJZ-UHFFFAOYSA-N 1 1 413.931 1.545 40 0 HDABMO CC1(C)Cc2cccc(OCC(=O)N3CC[C@H](O)[C@@H]([NH+]4CCOCC4)CC3)c2O1 ZINC000257229886 568785014 /nfs/dbraw/zinc/78/50/14/568785014.db2.gz FZWGNULCGVHPQI-ROUUACIJSA-N 1 1 404.507 1.463 40 0 HDABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)c3cc(C(C)C)ccc3O)[C@H]2O)CC1 ZINC000257260114 568792937 /nfs/dbraw/zinc/79/29/37/568792937.db2.gz LBIWCLQEULUESF-SFHLNBCPSA-N 1 1 403.523 1.692 40 0 HDABMO CCc1nc2ccccc2n1CCC(=O)N1CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257275728 568797306 /nfs/dbraw/zinc/79/73/06/568797306.db2.gz NQQOTAGWTSWUTB-PMACEKPBSA-N 1 1 400.523 1.673 40 0 HDABMO Cc1nc2ccc(CCC(=O)N3CCC[C@](O)(C[NH+]4CCN(C)CC4)CC3)cc2[nH]1 ZINC000257296638 568803350 /nfs/dbraw/zinc/80/33/50/568803350.db2.gz RDRQJVVFTOMZFF-HSZRJFAPSA-N 1 1 413.566 1.795 40 0 HDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC[C@@H]2O)CC1 ZINC000257342249 568816829 /nfs/dbraw/zinc/81/68/29/568816829.db2.gz ZNTPIXVMIDRDFB-SFTDATJTSA-N 1 1 411.506 1.206 40 0 HDABMO COCC(=O)N1CCC2(Cc3nc4c(c(=O)n3C2)C[N@H+](Cc2cccnc2)CC4)CC1 ZINC000306124516 568887431 /nfs/dbraw/zinc/88/74/31/568887431.db2.gz BSJDVQDOWXEXKD-UHFFFAOYSA-N 1 1 423.517 1.008 40 0 HDABMO COCC(=O)N1CCC2(Cc3nc4c(c(=O)n3C2)C[N@@H+](Cc2cccnc2)CC4)CC1 ZINC000306124516 568887432 /nfs/dbraw/zinc/88/74/32/568887432.db2.gz BSJDVQDOWXEXKD-UHFFFAOYSA-N 1 1 423.517 1.008 40 0 HDABMO COCC(=O)N1CCC2(Cc3nc4c(c(=O)n3C2)C[N@@H+](Cc2ccccc2)CC4)CC1 ZINC000306125876 568888669 /nfs/dbraw/zinc/88/86/69/568888669.db2.gz DEMSOFNQXYIURC-UHFFFAOYSA-N 1 1 422.529 1.613 40 0 HDABMO 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O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@@]1(CC[N@@H+](Cc3ccco3)C1)C2 ZINC000306135996 568898048 /nfs/dbraw/zinc/89/80/48/568898048.db2.gz PGEPFIOWCYAHFP-OAQYLSRUSA-N 1 1 400.479 1.753 40 0 HDABMO Cc1ccc(CNC(=O)[C@@H]2CN(C)CC3(CC[NH+](Cc4cnn(C)c4)CC3)O2)cc1 ZINC000306141948 568903497 /nfs/dbraw/zinc/90/34/97/568903497.db2.gz WLEOPOJBUBNMPB-NRFANRHFSA-N 1 1 411.550 1.710 40 0 HDABMO NS(=O)(=O)c1ccc2c(c1)CN(c1cc(NCCCO)nc(C3CC3)[nH+]1)CC2 ZINC000328999338 568971939 /nfs/dbraw/zinc/97/19/39/568971939.db2.gz JWQOPVGQGNRINK-UHFFFAOYSA-N 1 1 403.508 1.358 40 0 HDABMO C[NH+]1CCN(C(=O)[C@H]2CC[C@H](CNC(=O)CNC(=O)c3ccccc3)CC2)CC1 ZINC000101452939 569009387 /nfs/dbraw/zinc/00/93/87/569009387.db2.gz OBAIKLCGNVJAQR-IZAXUBKRSA-N 1 1 400.523 1.113 40 0 HDABMO COc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N3CC[NH+](C)CC3)c(=O)[nH]c2c1 ZINC000020084014 569031007 /nfs/dbraw/zinc/03/10/07/569031007.db2.gz BNETXOAPEUPURE-GOSISDBHSA-N 1 1 411.510 1.615 40 0 HDABMO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)[C@@H]4OCCc5ccccc54)C3)[nH]c(=O)c2C1 ZINC000019590228 569345802 /nfs/dbraw/zinc/34/58/02/569345802.db2.gz QJEWPPIFDZATIQ-OXJNMPFZSA-N 1 1 408.502 1.778 40 0 HDABMO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)n1 ZINC000019695092 569346753 /nfs/dbraw/zinc/34/67/53/569346753.db2.gz AOYWLYVXYPQDNI-QGZVFWFLSA-N 1 1 408.506 1.330 40 0 HDABMO COc1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[N@@H+](C)CCc2ccccc2)cc1 ZINC000020465770 575368679 /nfs/dbraw/zinc/36/86/79/575368679.db2.gz VCDCAAIAMRKPNH-CLAROIROSA-N 1 1 414.502 1.089 40 0 biogenic,in-vitro HDABMO CC(=O)c1cn(C[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)nn1 ZINC000008300116 291191490 /nfs/dbraw/zinc/19/14/90/291191490.db2.gz CENOZSSGAMHTHL-BBWFWOEESA-N 1 1 411.462 1.236 40 0 biogenic,in-vitro HDABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3cccc(F)c3)C[N@@H+]21)N1CCCCC1 ZINC000012530553 291200474 /nfs/dbraw/zinc/20/04/74/291200474.db2.gz XFNIMDJKKJRLGW-OTWHNJEPSA-N 1 1 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ZINC000306137120 568898986 /nfs/dbraw/zinc/89/89/86/568898986.db2.gz QLZLAJWZGKCDBH-QFIPXVFZSA-N 1 1 411.506 1.555 40 0 HDABMO CN1CC[N@@H+](Cc2ccccc2)C[C@H]1c1nnc2ccc(C(=O)N3CCOCC3)cn21 ZINC000306143207 568904774 /nfs/dbraw/zinc/90/47/74/568904774.db2.gz XWEACPINXKABSS-FQEVSTJZSA-N 1 1 420.517 1.690 40 0 HDABMO Cc1cccc2c1NC(=O)[C@]21[NH2+][C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016021829 569026146 /nfs/dbraw/zinc/02/61/46/569026146.db2.gz KIQXWIFEPXRZMZ-JAHYZZNOSA-N 1 1 423.444 1.436 40 0 HDABMO COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000253499259 569317799 /nfs/dbraw/zinc/31/77/99/569317799.db2.gz SEABKHQAIUEJCC-FXAWDEMLSA-N 1 1 423.521 1.751 40 0 HDABMO CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)N2CC[NH+](C)CC2)c1=S ZINC000008089943 569339447 /nfs/dbraw/zinc/33/94/47/569339447.db2.gz PPWMPTGTCPVGFJ-UHFFFAOYSA-N 1 1 416.551 1.446 40 0 HDABMO C[N@@H+](Cc1ccccc1)[C@H]1[C@@H](CNC(=O)Nc2ccc(F)cc2F)O[C@@H](CO)[C@H]1O ZINC000020465948 575368643 /nfs/dbraw/zinc/36/86/43/575368643.db2.gz XJHBLSFTYYPUDY-FUMNGEBKSA-N 1 1 421.444 1.708 40 0 biogenic,in-vitro HDABMO COC(=O)c1ccc2[nH]c(CO[C@H]3C[N@@H+](C4CCN(C(C)=O)CC4)C[C@H]3F)nc2c1 ZINC000096112368 291194848 /nfs/dbraw/zinc/19/48/48/291194848.db2.gz NRIGIDOQFDNVHL-APWZRJJASA-N 1 1 418.469 1.899 40 0 biogenic,in-vitro HDABMO COC(=O)c1ccc2[nH]c(CO[C@H]3C[N@H+](C4CCN(C(C)=O)CC4)C[C@H]3F)nc2c1 ZINC000096112368 291194849 /nfs/dbraw/zinc/19/48/49/291194849.db2.gz NRIGIDOQFDNVHL-APWZRJJASA-N 1 1 418.469 1.899 40 0 biogenic,in-vitro HDABMO CSCC(=O)Nc1ccc(=O)n2c1[C@@H]1C[C@H](C2)C[N@H+](C2CCN(C(C)=O)CC2)C1 ZINC000008300427 291197998 /nfs/dbraw/zinc/19/79/98/291197998.db2.gz HDOPRTOQOYDCGM-JKSUJKDBSA-N 1 1 418.563 1.580 40 0 biogenic,in-vitro HDABMO Cc1nc(N(C)C)cc(CC2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)[nH+]1 ZINC000019758376 526803929 /nfs/dbraw/zinc/80/39/29/526803929.db2.gz HZQQOYHECBRRAK-UHFFFAOYSA-N 1 1 417.535 1.593 40 0 HDABMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000035375439 557531684 /nfs/dbraw/zinc/53/16/84/557531684.db2.gz OWTVRJFUUJRVCS-ARFLTJLHSA-N 1 1 405.882 1.548 40 0 HDABMO Cc1cnc2c(C(=O)N3CCC([C@H]4CCCC[N@@H+]4CC(=O)N(C)C)CC3)cnn2c1 ZINC000019746323 558266259 /nfs/dbraw/zinc/26/62/59/558266259.db2.gz BQFFBOXCFUIICP-LJQANCHMSA-N 1 1 412.538 1.833 40 0 HDABMO C[N@@H+]1CCN(C(=O)Cn2cccc(C(=O)NCC3CC3)c2=O)[C@@H](c2ccccc2)C1 ZINC000019750681 558270518 /nfs/dbraw/zinc/27/05/18/558270518.db2.gz UVISSJTXWCCMAH-HXUWFJFHSA-N 1 1 408.502 1.503 40 0 HDABMO C[N@H+]1CCN(C(=O)Cn2cccc(C(=O)NCC3CC3)c2=O)[C@@H](c2ccccc2)C1 ZINC000019750681 558270521 /nfs/dbraw/zinc/27/05/21/558270521.db2.gz UVISSJTXWCCMAH-HXUWFJFHSA-N 1 1 408.502 1.503 40 0 HDABMO C[NH+]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)CCC(N)=O)C3)nc3ccccc32)CC1 ZINC000019761092 558276427 /nfs/dbraw/zinc/27/64/27/558276427.db2.gz OLWPUUYVIQYGGI-INIZCTEOSA-N 1 1 423.517 1.204 40 0 HDABMO COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CC[NH+](C)CC1 ZINC000020083663 558331042 /nfs/dbraw/zinc/33/10/42/558331042.db2.gz OEWLUTRTBKOFAO-LJQANCHMSA-N 1 1 411.510 1.115 40 0 HDABMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc2c(c1)OCO2 ZINC000012188011 558347120 /nfs/dbraw/zinc/34/71/20/558347120.db2.gz CLJFEEOFFXJSJA-HNNXBMFYSA-N 1 1 419.459 1.327 40 0 HDABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 ZINC000020493356 558379038 /nfs/dbraw/zinc/37/90/38/558379038.db2.gz LRTXLQGKOQVKTL-QGZVFWFLSA-N 1 1 405.524 1.315 40 0 HDABMO CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000023240205 558545128 /nfs/dbraw/zinc/54/51/28/558545128.db2.gz SKWWIIOLYCHRNZ-UHFFFAOYSA-N 1 1 403.504 1.820 40 0 HDABMO CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000024051725 558586862 /nfs/dbraw/zinc/58/68/62/558586862.db2.gz SXXMXAHNZBTSJD-UHFFFAOYSA-N 1 1 424.544 1.401 40 0 HDABMO CN(CC(=O)NCCC[N@H+]1CCc2ccccc2C1)S(=O)(=O)c1ccccc1 ZINC000046442703 558840434 /nfs/dbraw/zinc/84/04/34/558840434.db2.gz YCPOQHLVKLUZHP-UHFFFAOYSA-N 1 1 401.532 1.872 40 0 HDABMO CCOc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4cnc(OC)nc4)C[C@H]32)c(OCC)n1 ZINC000019531779 558912227 /nfs/dbraw/zinc/91/22/27/558912227.db2.gz UUEKCDJDXQRRLR-LUQKVYGDSA-N 1 1 415.494 1.802 40 0 HDABMO CCc1cc(C(=O)NCC[N@H+]2CC[C@H](c3ccccc3)C2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019663546 558954387 /nfs/dbraw/zinc/95/43/87/558954387.db2.gz YZJYAMPPXMWLCE-INIZCTEOSA-N 1 1 421.501 1.404 40 0 HDABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CCN(S(=O)(=O)c1c(C)noc1C)C2 ZINC000019708707 558970959 /nfs/dbraw/zinc/97/09/59/558970959.db2.gz JBORYXIRBMYWHW-AWEZNQCLSA-N 1 1 420.539 1.679 40 0 HDABMO CCn1cc(C[N@H+]2C[C@@H](C(=O)NCCc3noc(C)n3)C3(C2)CCOCC3)cn1 ZINC000585101939 559025133 /nfs/dbraw/zinc/02/51/33/559025133.db2.gz KLZSCJXNHYNNOG-KRWDZBQOSA-N 1 1 402.499 1.182 40 0 HDABMO O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1ccoc1)CCC2 ZINC000096056163 559094079 /nfs/dbraw/zinc/09/40/79/559094079.db2.gz GSKOGLYCPXYHMF-UGKGYDQZSA-N 1 1 411.506 1.647 40 0 HDABMO CN(C)C(=O)[C@@]12C[N@@H+](Cc3cnn(C)c3)C[C@@H]1CN(C(=O)c1ccccc1)CCC2 ZINC000096083065 559094899 /nfs/dbraw/zinc/09/48/99/559094899.db2.gz UHNSYVPPQQNWHZ-OFNKIYASSA-N 1 1 409.534 1.863 40 0 HDABMO O=C(NC[C@H]1CCCO1)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3nccs3)CC2)O1 ZINC000096243755 559104925 /nfs/dbraw/zinc/10/49/25/559104925.db2.gz HTJZTVGZDCLTSJ-CVEARBPZSA-N 1 1 417.535 1.525 40 0 HDABMO COCC[N@H+]1CC2(CCN(C(=O)c3cccc(OC)c3)CC2)[C@@]2(CCNC2=O)C1 ZINC000096262513 559106491 /nfs/dbraw/zinc/10/64/91/559106491.db2.gz NTYYSBLLGNUFRP-QFIPXVFZSA-N 1 1 401.507 1.386 40 0 HDABMO COCC[N@H+]1CC2(CCN(C(=O)Cc3ccc(C)cc3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096262744 559106636 /nfs/dbraw/zinc/10/66/36/559106636.db2.gz VRYDXYVAUJDFTL-XMMPIXPASA-N 1 1 413.562 1.957 40 0 HDABMO CN(C)c1ncncc1N1CC[C@](O)(C[N@@H+](C)Cc2ccc(OCCCO)cc2)C1 ZINC000585269869 559116182 /nfs/dbraw/zinc/11/61/82/559116182.db2.gz NRWFWZMWDCPGIS-QFIPXVFZSA-N 1 1 415.538 1.377 40 0 HDABMO CC(=O)N1CCC(O)(C[N@H+]2CC[C@H](O)[C@@](O)(COc3c(C)ccc(C)c3C)C2)CC1 ZINC000585286749 559122053 /nfs/dbraw/zinc/12/20/53/559122053.db2.gz IHAZLVZADMFRNB-REWPJTCUSA-N 1 1 420.550 1.162 40 0 HDABMO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)[NH2+][C@@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000105352716 559162701 /nfs/dbraw/zinc/16/27/01/559162701.db2.gz OWTVRJFUUJRVCS-QEAMWRJDSA-N 1 1 405.882 1.548 40 0 HDABMO C[N@@H+](Cc1cccc(CN2CCOCC2)c1)C[C@@]1(O)CCCN(c2cnccn2)C1 ZINC000257268606 559285056 /nfs/dbraw/zinc/28/50/56/559285056.db2.gz MMJZZQUTIKBAIU-QHCPKHFHSA-N 1 1 411.550 1.772 40 0 HDABMO C[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000022829838 568499862 /nfs/dbraw/zinc/49/98/62/568499862.db2.gz QHMJBMMQAALIAA-OAHLLOKOSA-N 1 1 416.975 1.248 40 0 HDABMO COC(=O)c1ccc(CS(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000224736429 568594068 /nfs/dbraw/zinc/59/40/68/568594068.db2.gz IQCUMEMXGIETJP-UHFFFAOYSA-N 1 1 418.515 1.925 40 0 HDABMO CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1F ZINC000225123661 568615727 /nfs/dbraw/zinc/61/57/27/568615727.db2.gz BNHRQHFVANPUNB-UHFFFAOYSA-N 1 1 419.522 1.932 40 0 HDABMO C[NH+](C)CCCNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 ZINC000225204138 568622807 /nfs/dbraw/zinc/62/28/07/568622807.db2.gz FPNBGRCKTUPDCK-UHFFFAOYSA-N 1 1 403.917 1.674 40 0 HDABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)c3ccno3)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257209997 568778955 /nfs/dbraw/zinc/77/89/55/568778955.db2.gz BSSGHWBQULFRNI-HKUYNNGSSA-N 1 1 412.490 1.748 40 0 HDABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000257231558 568785268 /nfs/dbraw/zinc/78/52/68/568785268.db2.gz GHGIAVRATGQKDS-HSZRJFAPSA-N 1 1 424.501 1.961 40 0 HDABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000257231558 568785269 /nfs/dbraw/zinc/78/52/69/568785269.db2.gz GHGIAVRATGQKDS-HSZRJFAPSA-N 1 1 424.501 1.961 40 0 HDABMO CN(C(=O)CCCc1nc2ccccc2n1C)[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257236738 568786767 /nfs/dbraw/zinc/78/67/67/568786767.db2.gz HDNQLYSJEZGTCS-WOIUINJBSA-N 1 1 400.523 1.579 40 0 HDABMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](N(C)C(=O)CCc2ccc3c(c2)n(C)c(=O)n3C)[C@H]1O ZINC000257254323 568791571 /nfs/dbraw/zinc/79/15/71/568791571.db2.gz KCOORNJWMMFJOD-DBXWQHBBSA-N 1 1 411.506 1.538 40 0 HDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3cc4cccc(F)c4[nH]3)CC[C@@H]2O)CC1 ZINC000257283286 568799297 /nfs/dbraw/zinc/79/92/97/568799297.db2.gz OXQUTOHEAMNVMG-OALUTQOASA-N 1 1 402.470 1.437 40 0 HDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC[C@@H]2O)CC1 ZINC000257290415 568801676 /nfs/dbraw/zinc/80/16/76/568801676.db2.gz QCVWCMBZKZLASK-PMACEKPBSA-N 1 1 418.925 1.951 40 0 HDABMO COc1ccc(C[N@@H+](C)C[C@]2(O)CCCN(C(=O)c3ccc(=O)[nH]n3)CC2)cc1 ZINC000257313010 568808071 /nfs/dbraw/zinc/80/80/71/568808071.db2.gz UQPPCIMOJROELV-NRFANRHFSA-N 1 1 400.479 1.268 40 0 HDABMO CC(=O)N[C@]12CN(CC(=O)Nc3cc(C)n(C)n3)[C@H](c3ccccc3)[C@H]1CC[N@H+](C)C2 ZINC000257325563 568812085 /nfs/dbraw/zinc/81/20/85/568812085.db2.gz WTNJYULUEVLOFX-UEVCKROQSA-N 1 1 424.549 1.551 40 0 HDABMO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)CC1 ZINC000257337512 568815433 /nfs/dbraw/zinc/81/54/33/568815433.db2.gz YTBHUXFAMDDSBV-NRFANRHFSA-N 1 1 405.543 1.491 40 0 HDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CC[N@@H+](Cc3ccncc3)C2)cs1 ZINC000306123148 568886274 /nfs/dbraw/zinc/88/62/74/568886274.db2.gz AFQRUSFZWCVUEU-FQEVSTJZSA-N 1 1 410.503 1.161 40 0 HDABMO Cn1cc(C[N@H+]2CC[C@@]3(C2)Cn2c(nnc2C(=O)NC2CCCCC2)CN3C)cn1 ZINC000306137192 568899128 /nfs/dbraw/zinc/89/91/28/568899128.db2.gz QOGDYMORKQCZRL-OAQYLSRUSA-N 1 1 412.542 1.164 40 0 HDABMO CCc1ccc(C[N@H+]2CC[C@]3(CCn4c3nn(Cc3ccccn3)c(=O)c4=O)C2)cc1 ZINC000306138598 568900468 /nfs/dbraw/zinc/90/04/68/568900468.db2.gz SBNDDLQWGKWQDO-DEOSSOPVSA-N 1 1 417.513 1.958 40 0 HDABMO COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000213764866 569281342 /nfs/dbraw/zinc/28/13/42/569281342.db2.gz AMVWKVRCSQHXIL-QGZVFWFLSA-N 1 1 417.531 1.706 40 0 HDABMO CC(C)[C@H]([NH2+][C@@H]1C=CS(=O)(=O)C1)C(=O)N[C@@H]1CCC(=O)N[C@H]1[C@@H]1CC=CCC1 ZINC000043568673 569351973 /nfs/dbraw/zinc/35/19/73/569351973.db2.gz HAQXXJMSILHTMN-RFLLJTPXSA-N 1 1 409.552 1.031 40 0 HDABMO CC(C)(C)C[NH+]1CC2(C1)C(=O)N(Cc1ccccc1Cl)C(=O)[C@@H]1C[C@@H](O)CN12 ZINC000225392255 291191466 /nfs/dbraw/zinc/19/14/66/291191466.db2.gz GWWWIOOPHXRWKY-WBVHZDCISA-N 1 1 405.926 1.745 40 0 biogenic,in-vitro HDABMO CN1[C@@H]2CC[N@H+](C3CCCCC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccnc1 ZINC000035442454 291194171 /nfs/dbraw/zinc/19/41/71/291194171.db2.gz DASVELVOZJUMLE-VWPQPMDRSA-N 1 1 413.566 1.684 40 0 biogenic,in-vitro HDABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)Nc3ccccc3)C[N@@H+]21)N1CCCC1 ZINC000015707540 291201212 /nfs/dbraw/zinc/20/12/12/291201212.db2.gz NVTIBBNJFVJFFD-KSZLIROESA-N 1 1 415.563 1.317 40 0 biogenic,in-vitro HDABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)Nc3ccccc3)C[N@H+]21)N1CCCC1 ZINC000015707540 291201214 /nfs/dbraw/zinc/20/12/14/291201214.db2.gz NVTIBBNJFVJFFD-KSZLIROESA-N 1 1 415.563 1.317 40 0 biogenic,in-vitro HDABMO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1ccc(F)c(Cl)c1 ZINC000408617756 557534512 /nfs/dbraw/zinc/53/45/12/557534512.db2.gz JEBPZXPKPUBPFX-UHFFFAOYSA-N 1 1 407.895 1.084 40 0 HDABMO CC[NH+]1CCN(C(=O)CN(Cc2ccc(Br)cc2)S(C)(=O)=O)CC1 ZINC000408620842 557545777 /nfs/dbraw/zinc/54/57/77/557545777.db2.gz MLYUYQPXRCMYLD-UHFFFAOYSA-N 1 1 418.357 1.375 40 0 HDABMO CN(c1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000408630347 557568309 /nfs/dbraw/zinc/56/83/09/557568309.db2.gz SDTSSGMIOGOBOF-UHFFFAOYSA-N 1 1 417.531 1.964 40 0 HDABMO C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc(C(=O)Nc2ccc(F)cc2)ccc1=O ZINC000019751375 558271548 /nfs/dbraw/zinc/27/15/48/558271548.db2.gz JVYVUTPDKGCNQM-SFHVURJKSA-N 1 1 400.454 1.840 40 0 HDABMO COCC[NH+]1CCN(C(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)CC1 ZINC000019751660 558271820 /nfs/dbraw/zinc/27/18/20/558271820.db2.gz TULACWFIEMUTJI-UHFFFAOYSA-N 1 1 416.453 1.030 40 0 HDABMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc2c(c1)OCO2 ZINC000012188015 558347062 /nfs/dbraw/zinc/34/70/62/558347062.db2.gz CLJFEEOFFXJSJA-OAHLLOKOSA-N 1 1 419.459 1.327 40 0 HDABMO O=C1Nc2ccc(Cl)cc2[C@]12[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000035883670 558795573 /nfs/dbraw/zinc/79/55/73/558795573.db2.gz RIXZPJMVHKAKIZ-PWPRVGHASA-N 1 1 415.877 1.746 40 0 HDABMO O=C1Nc2ccc(Cl)cc2[C@]12[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000035883670 558795575 /nfs/dbraw/zinc/79/55/75/558795575.db2.gz RIXZPJMVHKAKIZ-PWPRVGHASA-N 1 1 415.877 1.746 40 0 HDABMO CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000017333532 558827170 /nfs/dbraw/zinc/82/71/70/558827170.db2.gz JFWSOBZESQGPBD-UHFFFAOYSA-N 1 1 403.504 1.956 40 0 HDABMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000047110568 558841601 /nfs/dbraw/zinc/84/16/01/558841601.db2.gz NVHQMXRWQQHLAG-KRWDZBQOSA-N 1 1 409.552 1.559 40 0 HDABMO CNS(=O)(=O)c1cccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000047227528 558841959 /nfs/dbraw/zinc/84/19/59/558841959.db2.gz TYFCUTHYEVWBCK-UHFFFAOYSA-N 1 1 403.504 1.357 40 0 HDABMO CC(=O)Nc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000047266682 558841983 /nfs/dbraw/zinc/84/19/83/558841983.db2.gz RDOGEKDEDIIBQV-UHFFFAOYSA-N 1 1 403.504 1.956 40 0 HDABMO COc1ccccc1N(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000019211277 558848470 /nfs/dbraw/zinc/84/84/70/558848470.db2.gz ZKURPMGVPZTGPK-UHFFFAOYSA-N 1 1 417.531 1.973 40 0 HDABMO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2ccncc2)C[C@@H]1c1ccnc(N2CCOCC2)n1 ZINC000019450176 558888684 /nfs/dbraw/zinc/88/86/84/558888684.db2.gz RHLFPKOIPKHLBM-OALUTQOASA-N 1 1 410.522 1.448 40 0 HDABMO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1c1ccnc(N2CCOCC2)n1 ZINC000019450172 558888708 /nfs/dbraw/zinc/88/87/08/558888708.db2.gz QKVYILDMTJPHGP-OALUTQOASA-N 1 1 410.522 1.448 40 0 HDABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)cc1O ZINC000019559728 558920971 /nfs/dbraw/zinc/92/09/71/558920971.db2.gz CQMPRCZNPCZMLR-MRXNPFEDSA-N 1 1 400.479 1.700 40 0 HDABMO Cc1noc(C)c1S(=O)(=O)NCCc1cc(N2CC[NH+](C)CC2)nc(C2CC2)n1 ZINC000019581124 558936649 /nfs/dbraw/zinc/93/66/49/558936649.db2.gz OIWMLKWXQGZPDJ-UHFFFAOYSA-N 1 1 420.539 1.232 40 0 HDABMO NC(=O)c1cccc(-c2nccnc2[C@@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)c1 ZINC000072358537 558954172 /nfs/dbraw/zinc/95/41/72/558954172.db2.gz QLDHABTXZHKPES-GOSISDBHSA-N 1 1 409.490 1.281 40 0 HDABMO NC(=O)c1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)c1 ZINC000072358537 558954175 /nfs/dbraw/zinc/95/41/75/558954175.db2.gz QLDHABTXZHKPES-GOSISDBHSA-N 1 1 409.490 1.281 40 0 HDABMO CCc1cc(C(=O)NCC[N@H+]2CC[C@@H](c3ccccc3)C2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019663543 558954464 /nfs/dbraw/zinc/95/44/64/558954464.db2.gz YZJYAMPPXMWLCE-MRXNPFEDSA-N 1 1 421.501 1.404 40 0 HDABMO CN(Cc1ccc([C@H]2C[N@@H+](C)C[C@@H]2C(N)=O)cc1)C(=O)c1ccc2c(c1)OCCO2 ZINC000019699191 558966561 /nfs/dbraw/zinc/96/65/61/558966561.db2.gz JFYSYFDHXYTZTP-MOPGFXCFSA-N 1 1 409.486 1.861 40 0 HDABMO C[N@H+]1CCCN(CC(=O)N2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000257230184 558992361 /nfs/dbraw/zinc/99/23/61/558992361.db2.gz GBFASEBRIHOLAN-GOSISDBHSA-N 1 1 401.555 1.313 40 0 HDABMO O=S(=O)(Cc1ccccc1)N1CCC2(CO[C@H](C[N@@H+]3CCC[C@H]3CO)C2)CC1 ZINC000585103986 559025849 /nfs/dbraw/zinc/02/58/49/559025849.db2.gz KECQVPLGBSJWJV-PMACEKPBSA-N 1 1 408.564 1.844 40 0 HDABMO COCCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104543 559027014 /nfs/dbraw/zinc/02/70/14/559027014.db2.gz PVHLCSVJHMGRGA-HXUWFJFHSA-N 1 1 402.520 1.902 40 0 HDABMO CCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000585106041 559028284 /nfs/dbraw/zinc/02/82/84/559028284.db2.gz GZMWSCGJDWNUEG-MOPGFXCFSA-N 1 1 401.507 1.766 40 0 HDABMO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccccn2)CC1 ZINC000585106212 559028497 /nfs/dbraw/zinc/02/84/97/559028497.db2.gz XDSLGPRJFOMNSS-SJORKVTESA-N 1 1 406.552 1.329 40 0 HDABMO CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1nnc2ccc(C(=O)N3CCOCC3)cn21 ZINC000096156630 559100584 /nfs/dbraw/zinc/10/05/84/559100584.db2.gz XWEACPINXKABSS-HXUWFJFHSA-N 1 1 420.517 1.690 40 0 HDABMO CC(=O)N1CCC([N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)c(C)c3)C2)CC1 ZINC000585283045 559120491 /nfs/dbraw/zinc/12/04/91/559120491.db2.gz OZDUELINVPGURS-QFIPXVFZSA-N 1 1 421.513 1.419 40 0 HDABMO CC(=O)N1CCC([N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)c(C)c3)C2)CC1 ZINC000585283662 559120820 /nfs/dbraw/zinc/12/08/20/559120820.db2.gz SVRMRCJUOVOWPC-QHCPKHFHSA-N 1 1 417.550 1.588 40 0 HDABMO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[N@@H+](CCO)Cc2ccccc2)[C@@H](O)C1 ZINC000585283776 559120829 /nfs/dbraw/zinc/12/08/29/559120829.db2.gz HMNGWSNKJLUTSA-UNMCSNQZSA-N 1 1 418.921 1.772 40 0 HDABMO CC(C)[N@@H+](Cc1ccccc1)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O ZINC000585291375 559123794 /nfs/dbraw/zinc/12/37/94/559123794.db2.gz OKVHDHAHLYPJEG-RTWAWAEBSA-N 1 1 404.532 1.694 40 0 HDABMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CCCn2c(=O)c3ccccc3nc21 ZINC000102931902 559153559 /nfs/dbraw/zinc/15/35/59/559153559.db2.gz WMJOMCXPPMHNRI-UHFFFAOYSA-N 1 1 417.513 1.951 40 0 HDABMO COc1ccccc1CN1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@H]1C[C@@H](O)C[N@H+]12 ZINC000514290217 560030515 /nfs/dbraw/zinc/03/05/15/560030515.db2.gz VECUGYSQQIOUHZ-FGZHOGPDSA-N 1 1 421.541 1.770 40 0 biogenic,in-vitro HDABMO COc1ccccc1CN1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@H]1C[C@@H](O)C[N@@H+]12 ZINC000514290217 560030517 /nfs/dbraw/zinc/03/05/17/560030517.db2.gz VECUGYSQQIOUHZ-FGZHOGPDSA-N 1 1 421.541 1.770 40 0 biogenic,in-vitro HDABMO O=C(N[C@H]1CO[C@@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O)C1CC1 ZINC000514289330 560032979 /nfs/dbraw/zinc/03/29/79/560032979.db2.gz QKWSJLXTOWDYPY-OKZBNKHCSA-N 1 1 413.440 1.482 40 0 biogenic,in-vitro HDABMO COc1cc([C@@H](c2nnnn2C(C)(C)C)N2CC[NH+](C)CC2)cc(OC)c1OC ZINC000020139650 560881161 /nfs/dbraw/zinc/88/11/61/560881161.db2.gz AZMSAOYRBTXCEU-KRWDZBQOSA-N 1 1 404.515 1.791 40 0 HDABMO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000004751401 568420018 /nfs/dbraw/zinc/42/00/18/568420018.db2.gz BIFWRLIMBVQLOC-JYISGYRJSA-N 1 1 417.421 1.847 40 0 HDABMO CC(C)Oc1cccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)c1 ZINC000220108654 568502439 /nfs/dbraw/zinc/50/24/39/568502439.db2.gz MNGSWMQGKNYKNZ-UHFFFAOYSA-N 1 1 413.540 1.078 40 0 HDABMO NC(=O)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000026731347 568554535 /nfs/dbraw/zinc/55/45/35/568554535.db2.gz DUKIQHQRTZFDOR-INDMIFKZSA-N 1 1 403.394 1.416 40 0 HDABMO NC(=O)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000026731347 568554536 /nfs/dbraw/zinc/55/45/36/568554536.db2.gz DUKIQHQRTZFDOR-INDMIFKZSA-N 1 1 403.394 1.416 40 0 HDABMO CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C)CC2)c(Cl)c1 ZINC000028208237 568596623 /nfs/dbraw/zinc/59/66/23/568596623.db2.gz PGEQQFXZFVPUNT-UHFFFAOYSA-N 1 1 403.932 1.523 40 0 HDABMO C[NH+]1CCN(c2ncc3c(n2)[C@]2(CCN(C(=O)COC4CCCC4)C2)COC3)CC1 ZINC000248128559 568747661 /nfs/dbraw/zinc/74/76/61/568747661.db2.gz MMPWJJPHKJRVPT-QFIPXVFZSA-N 1 1 415.538 1.188 40 0 HDABMO COc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)[C@@H]([NH3+])CC(N)=O)CC[C@@H]3O[C@H]21 ZINC000257207431 568778299 /nfs/dbraw/zinc/77/82/99/568778299.db2.gz BHSFRMFXDNJDEP-GYBPFOEHSA-N 1 1 417.506 1.364 40 0 HDABMO C[N@@H+](Cc1ccc(C(C)(C)C)cc1OCC(N)=O)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257223782 568783203 /nfs/dbraw/zinc/78/32/03/568783203.db2.gz DYVFUSFZWUWULF-WOIUINJBSA-N 1 1 419.566 1.504 40 0 HDABMO O=C(NC[C@]1(O)COCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1)c1ccccn1 ZINC000257259442 568792741 /nfs/dbraw/zinc/79/27/41/568792741.db2.gz KYJWVPNMLIRBOG-JOCHJYFZSA-N 1 1 407.474 1.465 40 0 HDABMO O=C(NC[C@]1(O)COCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1)c1ccccn1 ZINC000257259442 568792742 /nfs/dbraw/zinc/79/27/42/568792742.db2.gz KYJWVPNMLIRBOG-JOCHJYFZSA-N 1 1 407.474 1.465 40 0 HDABMO CC(=O)Nc1cc(NC(=O)C[N@@H+]2CCC[C@@](C(N)=O)(c3ccccn3)C2)ccc1C ZINC000257266912 568794728 /nfs/dbraw/zinc/79/47/28/568794728.db2.gz MFDDWVFAFBVDBU-QFIPXVFZSA-N 1 1 409.490 1.806 40 0 HDABMO CC(=O)Nc1cc(NC(=O)C[N@H+]2CCC[C@@](C(N)=O)(c3ccccn3)C2)ccc1C ZINC000257266912 568794730 /nfs/dbraw/zinc/79/47/30/568794730.db2.gz MFDDWVFAFBVDBU-QFIPXVFZSA-N 1 1 409.490 1.806 40 0 HDABMO COc1ccc(C[N@@H+](C)C[C@@]2(O)CCCN(C(=O)c3cc(C)nc(=O)[nH]3)CC2)cc1 ZINC000257326482 568812283 /nfs/dbraw/zinc/81/22/83/568812283.db2.gz WXJGBGYITMANMS-JOCHJYFZSA-N 1 1 414.506 1.988 40 0 HDABMO O=S1(=O)NCC2(CC[NH+](Cc3ccco3)CC2)c2nc(N3CCCC3)ncc21 ZINC000306124572 568887725 /nfs/dbraw/zinc/88/77/25/568887725.db2.gz BTSWDIFKCLBHKC-UHFFFAOYSA-N 1 1 403.508 1.496 40 0 HDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@]2(CC[N@@H+](Cc4ccsc4)C2)C3)cs1 ZINC000306130384 568892641 /nfs/dbraw/zinc/89/26/41/568892641.db2.gz JEOJRSYOIBADAE-LJQANCHMSA-N 1 1 415.544 1.728 40 0 HDABMO Cn1ccnc1-c1nnc2n(c1=O)CC[C@@]21CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000306130837 568893100 /nfs/dbraw/zinc/89/31/00/568893100.db2.gz JQYXBLRINPXCTB-OAQYLSRUSA-N 1 1 406.446 1.315 40 0 HDABMO Cn1ccnc1-c1nnc2n(c1=O)CC[C@]21CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000306130836 568893266 /nfs/dbraw/zinc/89/32/66/568893266.db2.gz JQYXBLRINPXCTB-NRFANRHFSA-N 1 1 406.446 1.315 40 0 HDABMO CC(C)NC(=O)N1CC[C@]2(CCn3c2nc2c(c3=O)C[N@H+](Cc3ccco3)CC2)C1 ZINC000306136389 568898298 /nfs/dbraw/zinc/89/82/98/568898298.db2.gz PSCHZVXEWVSBTJ-QFIPXVFZSA-N 1 1 411.506 1.860 40 0 HDABMO CC(C)NC(=O)N1CC[C@]2(CCn3c2nc2c(c3=O)C[N@@H+](Cc3ccco3)CC2)C1 ZINC000306136389 568898300 /nfs/dbraw/zinc/89/83/00/568898300.db2.gz PSCHZVXEWVSBTJ-QFIPXVFZSA-N 1 1 411.506 1.860 40 0 HDABMO Cc1nc(CN2C[C@@H]3C[N@H+](Cc4ccc5c(c4)OCO5)C[C@@H]3S2(=O)=O)cs1 ZINC000306137053 568898894 /nfs/dbraw/zinc/89/88/94/568898894.db2.gz QKHKLEVDPPNXQK-KSSFIOAISA-N 1 1 407.517 1.826 40 0 HDABMO Cc1nc(CN2C[C@@H]3C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@@H]3S2(=O)=O)cs1 ZINC000306137053 568898897 /nfs/dbraw/zinc/89/88/97/568898897.db2.gz QKHKLEVDPPNXQK-KSSFIOAISA-N 1 1 407.517 1.826 40 0 HDABMO CCn1cc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)NCc4ccccc4)C[C@@H]3C2)cn1 ZINC000306139348 568901207 /nfs/dbraw/zinc/90/12/07/568901207.db2.gz SUZGZRHPDFOQJJ-RTBURBONSA-N 1 1 405.506 1.729 40 0 HDABMO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@]1(CC[N@H+](Cc3nccs3)C1)C2 ZINC000306144684 568906011 /nfs/dbraw/zinc/90/60/11/568906011.db2.gz ZMBLPGJPXFERJJ-HXUWFJFHSA-N 1 1 413.478 1.497 40 0 HDABMO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@]1(CC[N@@H+](Cc3nccs3)C1)C2 ZINC000306144684 568906012 /nfs/dbraw/zinc/90/60/12/568906012.db2.gz ZMBLPGJPXFERJJ-HXUWFJFHSA-N 1 1 413.478 1.497 40 0 HDABMO C[N@H+]1C[C@H](C(=O)NCc2cccs2)[C@@]2(C1)CCCN(C(=O)N1CCOCC1)CC2 ZINC000306144894 568906366 /nfs/dbraw/zinc/90/63/66/568906366.db2.gz ZRPTZVFQSHPONY-NQIIRXRSSA-N 1 1 420.579 1.850 40 0 HDABMO CC(C)c1nc(N[C@H](C)CO)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]1 ZINC000328972155 568970569 /nfs/dbraw/zinc/97/05/69/568970569.db2.gz DUKWWFBYGNOOQI-CYBMUJFWSA-N 1 1 405.524 1.603 40 0 HDABMO O=C([N-][C@H]1CS(=O)(=O)C[C@H]1NCc1cccc(F)c1)C(Cl)(Cl)Cl ZINC000575421887 569026039 /nfs/dbraw/zinc/02/60/39/569026039.db2.gz SPYWMNHQTAKZCK-MNOVXSKESA-N 1 1 403.690 1.567 40 0 HDABMO CS(=O)(=O)N(CCCC(=O)NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000008041274 569339202 /nfs/dbraw/zinc/33/92/02/569339202.db2.gz UPZYSCPAJIOGFD-UHFFFAOYSA-N 1 1 417.959 1.725 40 0 HDABMO CNS(=O)(=O)c1ccc(CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000017357895 569345179 /nfs/dbraw/zinc/34/51/79/569345179.db2.gz OJHUVZXJHPTKBE-UHFFFAOYSA-N 1 1 401.532 1.872 40 0 HDABMO CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](CC)CC2)c(Cl)c1 ZINC000038280063 569351798 /nfs/dbraw/zinc/35/17/98/569351798.db2.gz NMIYEYFFVUKNQO-UHFFFAOYSA-N 1 1 417.959 1.961 40 0 HDABMO CN1[C@@H]2CC[N@H+](C3CCOCC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccccc1 ZINC000035442423 291194196 /nfs/dbraw/zinc/19/41/96/291194196.db2.gz GYZHHASFIZSMNK-VWPQPMDRSA-N 1 1 414.550 1.135 40 0 biogenic,in-vitro HDABMO COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3CN2CCOCC2)cc1 ZINC000095252499 291197010 /nfs/dbraw/zinc/19/70/10/291197010.db2.gz DFSCBSCYZADZKE-OKZBNKHCSA-N 1 1 409.552 1.016 40 0 biogenic,in-vitro HDABMO COc1cccc(-c2c3c(ccn(CCC[NH+]4CCOCC4)c3=O)nc3ncnn32)c1 ZINC000040398256 525699500 /nfs/dbraw/zinc/69/95/00/525699500.db2.gz JHZFIQZEVYXUJG-UHFFFAOYSA-N 1 1 420.473 1.837 40 0 HDABMO O=C(c1ccc(F)cc1)C1CC[NH+](CCn2c(=O)nc3n(c2=O)CCCC3)CC1 ZINC000000597570 557018703 /nfs/dbraw/zinc/01/87/03/557018703.db2.gz ABLOJQGCNLNCFS-UHFFFAOYSA-N 1 1 400.454 1.475 40 0 in-vitro HDABMO CC(C)N1C[C@H](C(=O)Nc2ccccc2C(=O)NCCC[NH+]2CCOCC2)CC1=O ZINC000408615432 557540588 /nfs/dbraw/zinc/54/05/88/557540588.db2.gz QIEQPMRRUDZWIR-QGZVFWFLSA-N 1 1 416.522 1.334 40 0 HDABMO Cc1cnc2c(C(=O)N3CCC([C@@H]4CCCC[N@@H+]4CC(=O)N(C)C)CC3)cnn2c1 ZINC000019746324 558266269 /nfs/dbraw/zinc/26/62/69/558266269.db2.gz BQFFBOXCFUIICP-IBGZPJMESA-N 1 1 412.538 1.833 40 0 HDABMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000019749530 558269035 /nfs/dbraw/zinc/26/90/35/558269035.db2.gz PYEJHRJUFXNZSN-SFHVURJKSA-N 1 1 404.492 1.016 40 0 HDABMO CC(=O)NCC(=O)N1CC[C@@H](c2cc(C(=O)N3CC[NH+](C)CC3)c3ccccc3n2)C1 ZINC000019761257 558276639 /nfs/dbraw/zinc/27/66/39/558276639.db2.gz WTECURJKXZUTSZ-QGZVFWFLSA-N 1 1 423.517 1.074 40 0 HDABMO C[NH+]1CCN(N2CN=C3N[C@H](c4cccnc4)n4c5ccccc5nc4N3C2)CC1 ZINC000020638699 558396865 /nfs/dbraw/zinc/39/68/65/558396865.db2.gz RKCYFBTUMSMXIT-IBGZPJMESA-N 1 1 403.494 1.137 40 0 HDABMO C[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000022935251 558526373 /nfs/dbraw/zinc/52/63/73/558526373.db2.gz QAQRIEIRTOLVBV-MRXNPFEDSA-N 1 1 416.547 1.491 40 0 HDABMO Cc1ccc(N(CCCC(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)cc1C ZINC000013679517 558565764 /nfs/dbraw/zinc/56/57/64/558565764.db2.gz ABDAVNLOXZJWLS-UHFFFAOYSA-N 1 1 411.568 1.688 40 0 HDABMO Cc1ncc(CO)c(CO)c1OC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000031772390 558752455 /nfs/dbraw/zinc/75/24/55/558752455.db2.gz ZRQSJDXWNGOCBB-LJQANCHMSA-N 1 1 405.470 1.076 40 0 HDABMO CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCC[N@H+](C4CCCCC4)C3)[nH]c(=O)c2C1 ZINC000019583757 558938129 /nfs/dbraw/zinc/93/81/29/558938129.db2.gz SSQOHTDDYLKACW-HNNXBMFYSA-N 1 1 423.583 1.859 40 0 HDABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccc4nccnc24)C3)C[C@@H](C)O1 ZINC000072347300 558944071 /nfs/dbraw/zinc/94/40/71/558944071.db2.gz JJVKGAIXXXFJMT-HUUCEWRRSA-N 1 1 406.490 1.885 40 0 HDABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccc4nccnc24)C3)C[C@@H](C)O1 ZINC000072347300 558944074 /nfs/dbraw/zinc/94/40/74/558944074.db2.gz JJVKGAIXXXFJMT-HUUCEWRRSA-N 1 1 406.490 1.885 40 0 HDABMO COCC[NH+]1CCN(c2nc([C@H]3CC(=O)N(c4ccc(F)cc4)C3)cc(=O)[nH]2)CC1 ZINC000019593431 558944659 /nfs/dbraw/zinc/94/46/59/558944659.db2.gz ILOWYNSEXUVZOO-HNNXBMFYSA-N 1 1 415.469 1.610 40 0 HDABMO COCC[N@H+]1CC2(C[C@H]1COC)CCN(C(=O)c1cn(C)nc1C(F)F)CC2 ZINC000585103679 559025830 /nfs/dbraw/zinc/02/58/30/559025830.db2.gz NFJHGBVTWAAHRK-AWEZNQCLSA-N 1 1 400.470 1.947 40 0 HDABMO O=S(=O)(Cc1ccccc1)N1CCC2(CO[C@@H](C[N@@H+]3CCC[C@H]3CO)C2)CC1 ZINC000585103988 559025891 /nfs/dbraw/zinc/02/58/91/559025891.db2.gz KECQVPLGBSJWJV-VQTJNVASSA-N 1 1 408.564 1.844 40 0 HDABMO CCOC(=O)[C@@H]1CN2CCN(C(=O)C3(F)CCC3)C[C@H]2C[N@H+](Cc2ccco2)C1 ZINC000585108161 559029838 /nfs/dbraw/zinc/02/98/38/559029838.db2.gz JMVYFQQWRHDUNM-DLBZAZTESA-N 1 1 407.486 1.680 40 0 HDABMO CCOC(=O)[C@@H]1CN2CCN(C(=O)C3(F)CCC3)C[C@H]2C[N@@H+](Cc2ccco2)C1 ZINC000585108161 559029840 /nfs/dbraw/zinc/02/98/40/559029840.db2.gz JMVYFQQWRHDUNM-DLBZAZTESA-N 1 1 407.486 1.680 40 0 HDABMO CN(C)C(=O)C[NH+]1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CC1)C2 ZINC000096263542 559107223 /nfs/dbraw/zinc/10/72/23/559107223.db2.gz QJANTLVENKLYHH-UHFFFAOYSA-N 1 1 421.563 1.650 40 0 HDABMO COCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000585262170 559110546 /nfs/dbraw/zinc/11/05/46/559110546.db2.gz BODLDIPGRIPUPH-SCPDWHHUSA-N 1 1 414.477 1.896 40 0 HDABMO COCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000585262170 559110547 /nfs/dbraw/zinc/11/05/47/559110547.db2.gz BODLDIPGRIPUPH-SCPDWHHUSA-N 1 1 414.477 1.896 40 0 HDABMO COCC(=O)N1CC[N@H+](C2CCOCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585281851 559119501 /nfs/dbraw/zinc/11/95/01/559119501.db2.gz COTDNVLLXWQIHW-JOCHJYFZSA-N 1 1 406.523 1.383 40 0 HDABMO C[N@@H+](CCc1ccccc1)C[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1O ZINC000585291025 559123570 /nfs/dbraw/zinc/12/35/70/559123570.db2.gz ZSMGINXMMQEBMN-IRLDBZIGSA-N 1 1 402.922 1.991 40 0 HDABMO OCCOCCOc1ccc(C[N@@H+]2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)cc1 ZINC000257297475 559285935 /nfs/dbraw/zinc/28/59/35/559285935.db2.gz RHJURTMOORFILK-HXUWFJFHSA-N 1 1 414.493 1.742 40 0 HDABMO OCCOCCOc1ccc(C[N@H+]2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)cc1 ZINC000257297475 559285936 /nfs/dbraw/zinc/28/59/36/559285936.db2.gz RHJURTMOORFILK-HXUWFJFHSA-N 1 1 414.493 1.742 40 0 HDABMO C[N@H+](CCc1ccccc1)C[C@@H]1OC[C@H](NCc2ccc(S(C)(=O)=O)cc2)[C@H]1O ZINC000514288767 560034328 /nfs/dbraw/zinc/03/43/28/560034328.db2.gz CSVZGCDPHWJTLY-FDFHNCONSA-N 1 1 418.559 1.483 40 0 biogenic,in-vitro HDABMO C[N@@H+](CCc1ccccc1)C[C@@H]1OC[C@H](NCc2ccc(S(C)(=O)=O)cc2)[C@H]1O ZINC000514288767 560034330 /nfs/dbraw/zinc/03/43/30/560034330.db2.gz CSVZGCDPHWJTLY-FDFHNCONSA-N 1 1 418.559 1.483 40 0 biogenic,in-vitro HDABMO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000013566577 560813754 /nfs/dbraw/zinc/81/37/54/560813754.db2.gz ZOQLOWMJHRVBNW-UHFFFAOYSA-N 1 1 424.350 1.598 40 0 HDABMO Cc1ccc2c(c1)[C@@]1([NH2+][C@@H]([C@@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015969755 568737717 /nfs/dbraw/zinc/73/77/17/568737717.db2.gz ZLFRPPKFEDWYLX-GYPUZHRCSA-N 1 1 419.481 1.339 40 0 HDABMO CCOc1ccc(-c2cc(C(=O)N(C)[C@@H]3CC[C@@H]([NH+]4CCOCC4)[C@@H]3O)[nH]n2)cc1 ZINC000257216040 568780888 /nfs/dbraw/zinc/78/08/88/568780888.db2.gz CSVVXHLPRFNZAL-NJDAHSKKSA-N 1 1 414.506 1.772 40 0 HDABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)NCCc2nc3ccccc3[nH]2)C1 ZINC000257231402 568785070 /nfs/dbraw/zinc/78/50/70/568785070.db2.gz GGNYSVYFHXWBNY-HSZRJFAPSA-N 1 1 420.517 1.396 40 0 HDABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)NCCc2nc3ccccc3[nH]2)C1 ZINC000257231402 568785073 /nfs/dbraw/zinc/78/50/73/568785073.db2.gz GGNYSVYFHXWBNY-HSZRJFAPSA-N 1 1 420.517 1.396 40 0 HDABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)COc3cc(C)ccc3Cl)CC[C@@H]2O)CC1 ZINC000257252812 568791073 /nfs/dbraw/zinc/79/10/73/568791073.db2.gz JWEZJDKBBRQCME-OALUTQOASA-N 1 1 423.941 1.543 40 0 HDABMO C[C@]1(C(=O)N2CCOCC2)CCC[N@@H+](CC(=O)NCCc2nc3ccccc3[nH]2)C1 ZINC000257272415 568796367 /nfs/dbraw/zinc/79/63/67/568796367.db2.gz NCIFWXQSLGTQGY-QFIPXVFZSA-N 1 1 413.522 1.183 40 0 HDABMO C[N@H+]1C[C@@H](C(=O)NCCc2ccccc2)OC2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000306127019 568889779 /nfs/dbraw/zinc/88/97/79/568889779.db2.gz FLQPEEDWDYTKHF-FQEVSTJZSA-N 1 1 411.502 1.944 40 0 HDABMO Cc1nc(CN2C[C@H]3C[N@H+](Cc4ccc5c(c4)OCO5)C[C@@H]3S2(=O)=O)cs1 ZINC000306137052 568898956 /nfs/dbraw/zinc/89/89/56/568898956.db2.gz QKHKLEVDPPNXQK-KDOFPFPSSA-N 1 1 407.517 1.826 40 0 HDABMO Cc1nc(CN2C[C@H]3C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@@H]3S2(=O)=O)cs1 ZINC000306137052 568898958 /nfs/dbraw/zinc/89/89/58/568898958.db2.gz QKHKLEVDPPNXQK-KDOFPFPSSA-N 1 1 407.517 1.826 40 0 HDABMO O=C([N-][C@@H]1CS(=O)(=O)C[C@@H]1NCc1cccc(F)c1)C(Cl)(Cl)Cl ZINC000575421890 569026094 /nfs/dbraw/zinc/02/60/94/569026094.db2.gz SPYWMNHQTAKZCK-WDEREUQCSA-N 1 1 403.690 1.567 40 0 HDABMO C[C@@H](O)[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016033925 569028032 /nfs/dbraw/zinc/02/80/32/569028032.db2.gz WILWCVSJERCUGF-YCEOFWTISA-N 1 1 423.444 1.170 40 0 HDABMO COc1cc(NC(=O)Nc2cnc(N3CC[NH+](C)CC3)nc2)cc(OC)c1OC ZINC000224267614 569056658 /nfs/dbraw/zinc/05/66/58/569056658.db2.gz NUBPDJSOBWSOFU-UHFFFAOYSA-N 1 1 402.455 1.898 40 0 HDABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2Cl)CC1 ZINC000006953381 569335618 /nfs/dbraw/zinc/33/56/18/569335618.db2.gz CRARMAMOHOOUSW-UHFFFAOYSA-N 1 1 417.959 1.817 40 0 HDABMO Cn1cc2c(n1)[C@H](C(=O)N1CCOCC1)C[N@@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000019701476 569347345 /nfs/dbraw/zinc/34/73/45/569347345.db2.gz UACFAYIZCKDWIB-HXUWFJFHSA-N 1 1 406.490 1.564 40 0 HDABMO Cn1cc2c(n1)[C@H](C(=O)N1CCOCC1)C[N@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000019701476 569347346 /nfs/dbraw/zinc/34/73/46/569347346.db2.gz UACFAYIZCKDWIB-HXUWFJFHSA-N 1 1 406.490 1.564 40 0 HDABMO CC(C)NC(=O)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCc4ccccc43)[N@H+]2C1 ZINC000015707589 291191861 /nfs/dbraw/zinc/19/18/61/291191861.db2.gz BRAGBDGRNAVHDA-SCTDSRPQSA-N 1 1 413.522 1.005 40 0 biogenic,in-vitro HDABMO CC(C)NC(=O)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCc4ccccc43)[N@@H+]2C1 ZINC000015707589 291191864 /nfs/dbraw/zinc/19/18/64/291191864.db2.gz BRAGBDGRNAVHDA-SCTDSRPQSA-N 1 1 413.522 1.005 40 0 biogenic,in-vitro HDABMO C[NH+](C)CC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc(F)cc2)C1 ZINC000004277711 291192850 /nfs/dbraw/zinc/19/28/50/291192850.db2.gz LIKKZVMXXHMUHD-GOEBONIOSA-N 1 1 412.465 1.747 40 0 biogenic,in-vitro HDABMO C[N@H+]1[C@@H]2CCN(Cc3ccccc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccnc1 ZINC000022920814 291194213 /nfs/dbraw/zinc/19/42/13/291194213.db2.gz PZABXZWPQBIMBH-XJUOHMSHSA-N 1 1 421.545 1.551 40 0 biogenic,in-vitro HDABMO CN1[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccnc1 ZINC000022920814 291194218 /nfs/dbraw/zinc/19/42/18/291194218.db2.gz PZABXZWPQBIMBH-XJUOHMSHSA-N 1 1 421.545 1.551 40 0 biogenic,in-vitro HDABMO CN1[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccnc1 ZINC000022920814 291194220 /nfs/dbraw/zinc/19/42/20/291194220.db2.gz PZABXZWPQBIMBH-XJUOHMSHSA-N 1 1 421.545 1.551 40 0 biogenic,in-vitro HDABMO COCC(=O)Nc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CCN(C)CC3)n2)cn1 ZINC000035425664 291195152 /nfs/dbraw/zinc/19/51/52/291195152.db2.gz FNHZJPYNDQQHET-INIZCTEOSA-N 1 1 400.483 1.948 40 0 biogenic,in-vitro HDABMO COCC(=O)Nc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CCN(C)CC3)n2)cn1 ZINC000035425664 291195153 /nfs/dbraw/zinc/19/51/53/291195153.db2.gz FNHZJPYNDQQHET-INIZCTEOSA-N 1 1 400.483 1.948 40 0 biogenic,in-vitro HDABMO COCCC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](C2CCN(C(C)=O)CC2)C1 ZINC000004259197 291195170 /nfs/dbraw/zinc/19/51/70/291195170.db2.gz ZETJHNUUMPNKSP-DLBZAZTESA-N 1 1 416.522 1.253 40 0 biogenic,in-vitro HDABMO NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1C[NH2+]CCN1C(=O)NC1CCCCC1 ZINC000067902375 291199489 /nfs/dbraw/zinc/19/94/89/291199489.db2.gz MLYITOOPLQDKGA-ZWKOTPCHSA-N 1 1 407.559 1.243 40 0 biogenic,in-vitro HDABMO C[C@@]1(CO)C[N@@H+](Cc2ccccc2)C[C@@H]2CN(C(=O)COc3ccccc3)CCN21 ZINC000253397189 291198168 /nfs/dbraw/zinc/19/81/68/291198168.db2.gz FJZVUUUTQUZGHA-QPPBQGQZSA-N 1 1 409.530 1.845 40 0 biogenic,in-vitro HDABMO CCCNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](CC)CC2)c(Cl)c1 ZINC000408559758 557457170 /nfs/dbraw/zinc/45/71/70/557457170.db2.gz YPEJQCUIAXVEHA-UHFFFAOYSA-N 1 1 403.932 1.571 40 0 HDABMO Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000408591634 557503874 /nfs/dbraw/zinc/50/38/74/557503874.db2.gz JTVPEWFXTPMVEX-HXUWFJFHSA-N 1 1 401.532 1.659 40 0 HDABMO CC(C)N1C[C@@H](C(=O)Nc2ccccc2C(=O)NCCC[NH+]2CCOCC2)CC1=O ZINC000408615431 557540640 /nfs/dbraw/zinc/54/06/40/557540640.db2.gz QIEQPMRRUDZWIR-KRWDZBQOSA-N 1 1 416.522 1.334 40 0 HDABMO COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000408701533 557721697 /nfs/dbraw/zinc/72/16/97/557721697.db2.gz ZKANJAALSUBRPN-SFHVURJKSA-N 1 1 423.579 1.993 40 0 HDABMO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(N)=O)[N@H+]2C=Cc4ccccc4[C@@H]32)c(OC)c1 ZINC000036490969 557849097 /nfs/dbraw/zinc/84/90/97/557849097.db2.gz LGIOKZZBLKYBBP-ZRNYENFQSA-N 1 1 419.437 1.705 40 0 HDABMO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(N)=O)[N@@H+]2C=Cc4ccccc4[C@@H]32)c(OC)c1 ZINC000036490969 557849098 /nfs/dbraw/zinc/84/90/98/557849098.db2.gz LGIOKZZBLKYBBP-ZRNYENFQSA-N 1 1 419.437 1.705 40 0 HDABMO C[N@@H+]1CCN(C(=O)c2ccc(=O)n(CC(=O)N3CCCCC3)c2)[C@@H](c2ccccc2)C1 ZINC000019751186 558271251 /nfs/dbraw/zinc/27/12/51/558271251.db2.gz DMUQWRUNWWVNRA-OAQYLSRUSA-N 1 1 422.529 1.990 40 0 HDABMO C[N@H+]1CCN(C(=O)c2ccc(=O)n(CC(=O)N3CCCCC3)c2)[C@@H](c2ccccc2)C1 ZINC000019751186 558271253 /nfs/dbraw/zinc/27/12/53/558271253.db2.gz DMUQWRUNWWVNRA-OAQYLSRUSA-N 1 1 422.529 1.990 40 0 HDABMO NC(=O)C1([NH+]2CCCCC2)CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000012239089 558359592 /nfs/dbraw/zinc/35/95/92/558359592.db2.gz POSOJTJILKDKRO-UHFFFAOYSA-N 1 1 420.535 1.066 40 0 HDABMO COc1ccc2c(c1)c(C[N@H+]1CCCC[C@@H]1CN1CCOCC1)cn2CC(N)=O ZINC000022863403 558517795 /nfs/dbraw/zinc/51/77/95/558517795.db2.gz MESHKEGKWYDJGY-GOSISDBHSA-N 1 1 400.523 1.822 40 0 HDABMO CC[C@@H](C(=O)NCCC[NH+]1CCOCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716797 558579837 /nfs/dbraw/zinc/57/98/37/558579837.db2.gz DQWBWAISQCNWAF-IBGZPJMESA-N 1 1 411.568 1.687 40 0 HDABMO COc1cc(CN2C[C@@H](C[NH+]3CCOCC3)c3ccccc32)ccc1OCC(N)=O ZINC000036741521 558802305 /nfs/dbraw/zinc/80/23/05/558802305.db2.gz SENFIMAUEZTKMQ-GOSISDBHSA-N 1 1 411.502 1.995 40 0 HDABMO COc1cc(CN2C[C@H](C[NH+]3CCOCC3)c3ccccc32)ccc1OCC(N)=O ZINC000036741520 558802350 /nfs/dbraw/zinc/80/23/50/558802350.db2.gz SENFIMAUEZTKMQ-SFHVURJKSA-N 1 1 411.502 1.995 40 0 HDABMO O[C@H](COC1CCCCC1)C[NH+]1CCN(Cc2ccnc(N3CCCC3)n2)CC1 ZINC000019404056 558884408 /nfs/dbraw/zinc/88/44/08/558884408.db2.gz ZJIWCJPLAAGICK-FQEVSTJZSA-N 1 1 403.571 1.905 40 0 HDABMO CCSc1ncc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)cn1 ZINC000019520525 558901428 /nfs/dbraw/zinc/90/14/28/558901428.db2.gz UNDOSAITFRMHOV-MRXNPFEDSA-N 1 1 416.551 1.888 40 0 HDABMO COc1cc(C[N@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)cc(OC)c1OC ZINC000019549894 558914707 /nfs/dbraw/zinc/91/47/07/558914707.db2.gz KWXPGNXHGBSKIN-UHFFFAOYSA-N 1 1 423.473 1.854 40 0 HDABMO O=C(C[C@H]1C(=O)NCC[N@@H+]1C1CCCC1)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000019717575 558980261 /nfs/dbraw/zinc/98/02/61/558980261.db2.gz STCLNUMPQPJNAI-IBGZPJMESA-N 1 1 414.506 1.231 40 0 HDABMO O=C(C[C@H]1C(=O)NCC[N@H+]1C1CCCC1)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000019717575 558980264 /nfs/dbraw/zinc/98/02/64/558980264.db2.gz STCLNUMPQPJNAI-IBGZPJMESA-N 1 1 414.506 1.231 40 0 HDABMO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@H](C[N@H+]4CC[C@H](O)C4)C3)CC2)cc1 ZINC000585103392 559026596 /nfs/dbraw/zinc/02/65/96/559026596.db2.gz GCUGFFVTGUQZRY-SFTDATJTSA-N 1 1 401.551 1.759 40 0 HDABMO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000585106115 559028448 /nfs/dbraw/zinc/02/84/48/559028448.db2.gz MYZYYAHFTGMEJC-MOPGFXCFSA-N 1 1 405.564 1.934 40 0 HDABMO O=C(c1ccccn1)N1CCC2(C[N@@H+](Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000096036345 559089921 /nfs/dbraw/zinc/08/99/21/559089921.db2.gz DBRXKVHMCGSSSK-QHCPKHFHSA-N 1 1 405.502 1.721 40 0 HDABMO Cn1cc(C[N@H+]2CCC[C@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)cn1 ZINC000096056143 559093881 /nfs/dbraw/zinc/09/38/81/559093881.db2.gz CWDOJGQRPVHSNI-UGKGYDQZSA-N 1 1 409.538 1.455 40 0 HDABMO CC[NH+](CC)CCNC(=O)c1ccc2nnc([C@@H]3CN(CC4CC4)CCN3C)n2c1 ZINC000096156617 559100517 /nfs/dbraw/zinc/10/05/17/559100517.db2.gz SUEQPUCAHBNXKK-IBGZPJMESA-N 1 1 413.570 1.499 40 0 HDABMO Cn1cc(N2CC[N@H+](CC3CC3)C3(CCN(C(=O)[C@H]4CCCO4)CC3)C2=O)cn1 ZINC000096230344 559102797 /nfs/dbraw/zinc/10/27/97/559102797.db2.gz CELLLENVXYRELS-GOSISDBHSA-N 1 1 401.511 1.019 40 0 HDABMO Cn1cc(N2CC[N@@H+](CC3CC3)C3(CCN(C(=O)[C@H]4CCCO4)CC3)C2=O)cn1 ZINC000096230344 559102798 /nfs/dbraw/zinc/10/27/98/559102798.db2.gz CELLLENVXYRELS-GOSISDBHSA-N 1 1 401.511 1.019 40 0 HDABMO Cc1occc1C(=O)N1CCC[C@]2(C(=O)N(C)C)C[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC000096251292 559105432 /nfs/dbraw/zinc/10/54/32/559105432.db2.gz AANYUQVZXKAOCW-GCJKJVERSA-N 1 1 413.522 1.764 40 0 HDABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(S(=O)(=O)C1CC1)CC3 ZINC000096262461 559106483 /nfs/dbraw/zinc/10/64/83/559106483.db2.gz PMVNNANHEOAFPI-GHTZIAJQSA-N 1 1 409.596 1.915 40 0 HDABMO CN(C)CC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+](C)Cc1ccccc1 ZINC000585262261 559110769 /nfs/dbraw/zinc/11/07/69/559110769.db2.gz CIPYIMWLXKPYOL-SCPDWHHUSA-N 1 1 415.509 1.885 40 0 HDABMO CN(C)CC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@@H+](C)Cc1ccccc1 ZINC000585262261 559110770 /nfs/dbraw/zinc/11/07/70/559110770.db2.gz CIPYIMWLXKPYOL-SCPDWHHUSA-N 1 1 415.509 1.885 40 0 HDABMO CNC(=O)[C@H]1CN(S(C)(=O)=O)CC[N@@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C1 ZINC000585282776 559120147 /nfs/dbraw/zinc/12/01/47/559120147.db2.gz HUJFHSMKYAVETK-SBHAEUEKSA-N 1 1 423.579 1.015 40 0 HDABMO CC(=O)N1CCO[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000585286363 559121972 /nfs/dbraw/zinc/12/19/72/559121972.db2.gz OEFMNIGRXOMMCY-OAQYLSRUSA-N 1 1 423.941 1.809 40 0 HDABMO O=C(c1cccnc1)N1CCC2(C[N@@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000097952845 559124862 /nfs/dbraw/zinc/12/48/62/559124862.db2.gz LINDEMUBVBCGNJ-HSZRJFAPSA-N 1 1 405.502 1.721 40 0 HDABMO CO[C@H]1CC[C@H](C(=O)NCCc2cc(N3CC[NH+](C)CC3)nc(C3CC3)n2)CC1 ZINC000100776846 559140677 /nfs/dbraw/zinc/14/06/77/559140677.db2.gz WYMZPYDBWVJKEW-IZAXUBKRSA-N 1 1 401.555 1.970 40 0 HDABMO COCC[N@H+]1C[C@@H]2C(=O)N(C)C3(CCN(C(=O)NCc4ccccc4C)CC3)[C@@H]2C1 ZINC000107180212 559164757 /nfs/dbraw/zinc/16/47/57/559164757.db2.gz AMNGERFQDTUOPN-VQTJNVASSA-N 1 1 414.550 1.706 40 0 HDABMO C[N@@H+](Cc1ccc(OCCOCCO)cc1)C[C@@]1(O)CCCN(c2ncccn2)C1 ZINC000257242276 559284255 /nfs/dbraw/zinc/28/42/55/559284255.db2.gz IBTRJHUJTXQIQF-QFIPXVFZSA-N 1 1 416.522 1.328 40 0 HDABMO CC(C)(C)OC(=O)C[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1CC[N@H+]1CCC[C@H]1C(N)=O ZINC000020462854 560093165 /nfs/dbraw/zinc/09/31/65/560093165.db2.gz KPEPLLXDXBCSDW-BZSNNMDCSA-N 1 1 407.555 1.933 40 0 biogenic,in-vitro HDABMO COCCn1ccc(C(=O)N2CC3(C2)C[C@H](COCc2ccncc2)CC[N@@H+]3C)n1 ZINC000575402766 560546685 /nfs/dbraw/zinc/54/66/85/560546685.db2.gz HCFHOEFUBHVIIF-LJQANCHMSA-N 1 1 413.522 1.678 40 0 HDABMO COCCn1ccc(C(=O)N2CC3(C2)C[C@H](COCc2ccncc2)CC[N@H+]3C)n1 ZINC000575402766 560546687 /nfs/dbraw/zinc/54/66/87/560546687.db2.gz HCFHOEFUBHVIIF-LJQANCHMSA-N 1 1 413.522 1.678 40 0 HDABMO C[NH+]1CCN(C(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000409060638 560671183 /nfs/dbraw/zinc/67/11/83/560671183.db2.gz RPUFIZLFKBLAEZ-UHFFFAOYSA-N 1 1 405.495 1.791 40 0 HDABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000409389711 560720562 /nfs/dbraw/zinc/72/05/62/560720562.db2.gz RKOYUVIKPNFGBC-UHFFFAOYSA-N 1 1 417.531 1.973 40 0 HDABMO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)C)N3CC[NH+](C)CC3)cc2c1 ZINC000019519904 560874358 /nfs/dbraw/zinc/87/43/58/560874358.db2.gz AXULMORSAAIHJB-LJQANCHMSA-N 1 1 411.510 1.831 40 0 HDABMO COc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CC[NH+](C)CC2)cc1OC ZINC000019589842 560874825 /nfs/dbraw/zinc/87/48/25/560874825.db2.gz JGFALOZXRRBWSF-LPHOPBHVSA-N 1 1 402.499 1.206 40 0 HDABMO CC(C)[C@H]([NH2+][C@H]1C=CS(=O)(=O)C1)C(=O)N[C@@H]1CCC(=O)N[C@H]1[C@@H]1CC=CCC1 ZINC000036739963 568415585 /nfs/dbraw/zinc/41/55/85/568415585.db2.gz HAQXXJMSILHTMN-LHHMMCJZSA-N 1 1 409.552 1.031 40 0 HDABMO CC[C@@H](C(=O)NCCC[NH+]1CCOCC1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220650984 568507946 /nfs/dbraw/zinc/50/79/46/568507946.db2.gz JTWPOBRNXAYNHX-SFHVURJKSA-N 1 1 413.540 1.078 40 0 HDABMO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000224547509 568584566 /nfs/dbraw/zinc/58/45/66/568584566.db2.gz KMEFZFPZCBXUDB-UHFFFAOYSA-N 1 1 417.531 1.601 40 0 HDABMO O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224567143 568585571 /nfs/dbraw/zinc/58/55/71/568585571.db2.gz PTQWWPMXHSLQGI-BGYRXZFFSA-N 1 1 411.502 1.476 40 0 HDABMO Cc1ccc(C(=O)NCCC[NH+]2CCN(C)CC2)c(I)c1 ZINC000225027234 568609933 /nfs/dbraw/zinc/60/99/33/568609933.db2.gz JZHYUNMZDBGFBV-UHFFFAOYSA-N 1 1 401.292 1.967 40 0 HDABMO C[C@@H]1CN(c2ncc3c(n2)[C@@]2(CC[N@@H+](Cc4ccc(CO)o4)C2)COC3)C[C@@H](C)O1 ZINC000253604063 568755053 /nfs/dbraw/zinc/75/50/53/568755053.db2.gz QAGKQZHCTZIBJR-XCGNWRKASA-N 1 1 414.506 1.849 40 0 HDABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc3[nH]c(C)nc3c2)C1 ZINC000257269520 568795624 /nfs/dbraw/zinc/79/56/24/568795624.db2.gz MQIRUDACFAAZMJ-JOCHJYFZSA-N 1 1 406.490 1.985 40 0 HDABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc3[nH]c(C)nc3c2)C1 ZINC000257269520 568795626 /nfs/dbraw/zinc/79/56/26/568795626.db2.gz MQIRUDACFAAZMJ-JOCHJYFZSA-N 1 1 406.490 1.985 40 0 HDABMO Cc1nc2cc([C@@H]3CC[N@H+](CC(N)=O)C3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257276203 568797369 /nfs/dbraw/zinc/79/73/69/568797369.db2.gz NSTVPBDPIGRGOP-OAHLLOKOSA-N 1 1 400.527 1.468 40 0 HDABMO Cc1nc2cc([C@@H]3CC[N@@H+](CC(N)=O)C3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257276203 568797371 /nfs/dbraw/zinc/79/73/71/568797371.db2.gz NSTVPBDPIGRGOP-OAHLLOKOSA-N 1 1 400.527 1.468 40 0 HDABMO COc1ccc(C[N@@H+](C)C[C@@]2(O)CCCN(C(=O)c3cc(C)nc(N)n3)CC2)cc1 ZINC000257286456 568800466 /nfs/dbraw/zinc/80/04/66/568800466.db2.gz PLQQDMNOJHOIGZ-JOCHJYFZSA-N 1 1 413.522 1.865 40 0 HDABMO CCCCc1cc(C(=O)N2CCC[C@@](O)(C[NH+]3CCN(C(C)=O)CC3)CC2)n[nH]1 ZINC000257303851 568805628 /nfs/dbraw/zinc/80/56/28/568805628.db2.gz SIZWAFAESYJILB-NRFANRHFSA-N 1 1 405.543 1.274 40 0 HDABMO COCC[N@H+]1CC[C@@]2(CCn3cc(C(=O)NCc4cccc(Cl)c4)c(=O)nc32)C1 ZINC000306132265 568894390 /nfs/dbraw/zinc/89/43/90/568894390.db2.gz LDDIIXSRZGZJJZ-OAQYLSRUSA-N 1 1 416.909 1.820 40 0 HDABMO COc1cc(N2CC[C@]3(C2)C[N@H+](C)C[C@@H](C(=O)N(C)Cc2ccccc2)O3)ncn1 ZINC000306135624 568897388 /nfs/dbraw/zinc/89/73/88/568897388.db2.gz OWEQDFLVXQLXFM-PGRDOPGGSA-N 1 1 411.506 1.423 40 0 HDABMO COc1cc(N2CC[C@]3(C2)C[N@@H+](C)C[C@@H](C(=O)N(C)Cc2ccccc2)O3)ncn1 ZINC000306135624 568897390 /nfs/dbraw/zinc/89/73/90/568897390.db2.gz OWEQDFLVXQLXFM-PGRDOPGGSA-N 1 1 411.506 1.423 40 0 HDABMO COc1ncccc1C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 ZINC000306135560 568897471 /nfs/dbraw/zinc/89/74/71/568897471.db2.gz OURQWSPWHVWCNV-OALUTQOASA-N 1 1 418.501 1.916 40 0 HDABMO Cc1nc(CN2C[C@H]3C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]3S2(=O)=O)cs1 ZINC000306137054 568898992 /nfs/dbraw/zinc/89/89/92/568898992.db2.gz QKHKLEVDPPNXQK-RDTXWAMCSA-N 1 1 407.517 1.826 40 0 HDABMO Cc1nc(CN2C[C@H]3C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]3S2(=O)=O)cs1 ZINC000306137054 568898993 /nfs/dbraw/zinc/89/89/93/568898993.db2.gz QKHKLEVDPPNXQK-RDTXWAMCSA-N 1 1 407.517 1.826 40 0 HDABMO Cn1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C)C[C@@H](C(=O)NCc2cccs2)O3)n1 ZINC000306137177 568899120 /nfs/dbraw/zinc/89/91/20/568899120.db2.gz QNVAXDJITUINGR-KRWDZBQOSA-N 1 1 417.535 1.103 40 0 HDABMO COCCN1C[C@]2(CC[N@H+](Cc3ccccn3)C2)Oc2ccccc2S1(=O)=O ZINC000306138604 568900307 /nfs/dbraw/zinc/90/03/07/568900307.db2.gz SBQQLDMEVAQZCW-HXUWFJFHSA-N 1 1 403.504 1.756 40 0 HDABMO COCCN1C[C@]2(CC[N@@H+](Cc3ccccn3)C2)Oc2ccccc2S1(=O)=O ZINC000306138604 568900310 /nfs/dbraw/zinc/90/03/10/568900310.db2.gz SBQQLDMEVAQZCW-HXUWFJFHSA-N 1 1 403.504 1.756 40 0 HDABMO Cc1ccc(CNC(=O)[C@H]2CN(C)CC3(CC[NH+](Cc4cnn(C)c4)CC3)O2)cc1 ZINC000306141949 568903469 /nfs/dbraw/zinc/90/34/69/568903469.db2.gz WLEOPOJBUBNMPB-OAQYLSRUSA-N 1 1 411.550 1.710 40 0 HDABMO C[N@H+]1C[C@@H](C(=O)NCc2cccs2)[C@@]2(C1)CCCN(C(=O)N1CCOCC1)CC2 ZINC000306144895 568906324 /nfs/dbraw/zinc/90/63/24/568906324.db2.gz ZRPTZVFQSHPONY-RXVVDRJESA-N 1 1 420.579 1.850 40 0 HDABMO O=C(NCCc1cnc[nH]1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000101548124 569014128 /nfs/dbraw/zinc/01/41/28/569014128.db2.gz YXCMWNYFKIHXJT-GASCZTMLSA-N 1 1 408.499 1.992 40 0 HDABMO O=C(CNCc1ccccc1F)N1CCN(C(=O)C[NH2+]Cc2ccccc2F)CC1 ZINC000035311414 569031095 /nfs/dbraw/zinc/03/10/95/569031095.db2.gz QYCUDAASJRPJEB-UHFFFAOYSA-N 1 1 416.472 1.515 40 0 HDABMO CC[NH+]1CCN(C(=O)CN(c2ccccc2Br)S(C)(=O)=O)CC1 ZINC000006953347 569335593 /nfs/dbraw/zinc/33/55/93/569335593.db2.gz PZGPMGAPTZZWDH-UHFFFAOYSA-N 1 1 404.330 1.379 40 0 HDABMO O=C([C@H]1CCCO1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019405354 569345436 /nfs/dbraw/zinc/34/54/36/569345436.db2.gz XGDKWXQCTSBJTQ-WOJBJXKFSA-N 1 1 423.517 1.956 40 0 HDABMO O=C([C@H]1CCCO1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019405354 569345437 /nfs/dbraw/zinc/34/54/37/569345437.db2.gz XGDKWXQCTSBJTQ-WOJBJXKFSA-N 1 1 423.517 1.956 40 0 HDABMO Cc1cc(Nc2nc(C3CCN(C(=O)[C@H]4COCC[NH2+]4)CC3)cn3cccc23)n[nH]1 ZINC000585263163 571307659 /nfs/dbraw/zinc/30/76/59/571307659.db2.gz PHEAKWDSAWGKJR-QGZVFWFLSA-N 1 1 409.494 1.804 40 0 HDABMO COc1ccccc1CNC(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(C(C)(C)O)nn1 ZINC000008298270 291197321 /nfs/dbraw/zinc/19/73/21/291197321.db2.gz DMUJHHHXLJFQQV-NXHRZFHOSA-N 1 1 413.522 1.541 40 0 biogenic,in-vitro HDABMO O=C1N[C@]2(CC[C@@H]3C[N@@H+](Cc4cnc(N5CCOCC5)nc4)C[C@@H]32)Nc2ccccc21 ZINC000012086062 132353540 /nfs/dbraw/zinc/35/35/40/132353540.db2.gz JXNSVQYADZZNAP-FHJLPGHOSA-N 1 1 420.517 1.707 40 0 HDABMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1cccnc1N1CCN(C(=O)c2ccco2)CC1 ZINC000012181174 132356020 /nfs/dbraw/zinc/35/60/20/132356020.db2.gz OBFFXLZQNMQAKF-KRWDZBQOSA-N 1 1 411.506 1.661 40 0 HDABMO CCOc1ccc(N([C@@H](C)C(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)cc1 ZINC000408613761 557538079 /nfs/dbraw/zinc/53/80/79/557538079.db2.gz XYDONIHTJLOQEL-INIZCTEOSA-N 1 1 413.540 1.078 40 0 HDABMO COc1ccccc1NC(=O)[C@H]1CC(=O)NC(N2CC[NH+](Cc3ccccc3)CC2)=N1 ZINC000019727888 558259239 /nfs/dbraw/zinc/25/92/39/558259239.db2.gz SYYJRSNSROLORP-LJQANCHMSA-N 1 1 421.501 1.696 40 0 HDABMO COCCn1c2nc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)ccc2c(=O)n(C)c1=O ZINC000019743047 558263341 /nfs/dbraw/zinc/26/33/41/558263341.db2.gz BUDJYSOQMATDCB-QGZVFWFLSA-N 1 1 409.490 1.516 40 0 HDABMO C[N@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)c2)C1 ZINC000019750977 558271019 /nfs/dbraw/zinc/27/10/19/558271019.db2.gz UNUSIWHFDDNUBD-GOSISDBHSA-N 1 1 400.454 1.128 40 0 HDABMO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Cc3cc(N)nc(C)[nH+]3)CC2)cc1 ZINC000019758760 558275496 /nfs/dbraw/zinc/27/54/96/558275496.db2.gz DGXILHOUQSQNDQ-UHFFFAOYSA-N 1 1 403.508 1.969 40 0 HDABMO CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CC[NH+](C)CC1 ZINC000022248871 558472922 /nfs/dbraw/zinc/47/29/22/558472922.db2.gz IUNKLWKEYWVWPZ-UHFFFAOYSA-N 1 1 403.932 1.523 40 0 HDABMO Cc1ccc(Cl)cc1N(CC(=O)NCCC[NH+]1CCN(C)CC1)S(C)(=O)=O ZINC000022935016 558526142 /nfs/dbraw/zinc/52/61/42/558526142.db2.gz NYQJYDIBJKSGEA-UHFFFAOYSA-N 1 1 416.975 1.168 40 0 HDABMO CN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000036740581 558801810 /nfs/dbraw/zinc/80/18/10/558801810.db2.gz QLTKKQPPIIXFGW-YWZLYKJASA-N 1 1 422.489 1.096 40 0 HDABMO CN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000036740581 558801811 /nfs/dbraw/zinc/80/18/11/558801811.db2.gz QLTKKQPPIIXFGW-YWZLYKJASA-N 1 1 422.489 1.096 40 0 HDABMO COc1cccc(OC)c1C[N@H+]1CCc2nc(N3CCOCC3)[nH]c(=O)c2CC1 ZINC000019567113 558926536 /nfs/dbraw/zinc/92/65/36/558926536.db2.gz CIWINHSHZGFFEY-UHFFFAOYSA-N 1 1 400.479 1.225 40 0 HDABMO C[N@H+]1CCCN(CC(=O)N2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000072373055 558960816 /nfs/dbraw/zinc/96/08/16/558960816.db2.gz GBFASEBRIHOLAN-SFHVURJKSA-N 1 1 401.555 1.313 40 0 HDABMO NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCC[N@@H+]2CC(=O)N2CCCC2)cc1 ZINC000072376841 558966131 /nfs/dbraw/zinc/96/61/31/558966131.db2.gz WDHIPUWSUKSBBN-SFHVURJKSA-N 1 1 408.506 1.974 40 0 HDABMO NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCC[N@H+]2CC(=O)N2CCCC2)cc1 ZINC000072376841 558966132 /nfs/dbraw/zinc/96/61/32/558966132.db2.gz WDHIPUWSUKSBBN-SFHVURJKSA-N 1 1 408.506 1.974 40 0 HDABMO COc1ncc(C[N@H+]2C[C@@H](C(=O)NCc3ccon3)C3(C2)CCOCC3)cc1C ZINC000585101985 559025173 /nfs/dbraw/zinc/02/51/73/559025173.db2.gz QIBPFDLJWJQHMH-SFHVURJKSA-N 1 1 400.479 1.932 40 0 HDABMO O=S(=O)(Cc1ccccc1)N1CCC2(CO[C@H](C[N@@H+]3CCC[C@@H](O)C3)C2)CC1 ZINC000585103778 559025814 /nfs/dbraw/zinc/02/58/14/559025814.db2.gz JOCFOMNJFNQLIN-UXHICEINSA-N 1 1 408.564 1.844 40 0 HDABMO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@H](C[N@H+]4CC[C@@H](O)C4)C3)CC2)cc1 ZINC000585103390 559026639 /nfs/dbraw/zinc/02/66/39/559026639.db2.gz GCUGFFVTGUQZRY-RTWAWAEBSA-N 1 1 401.551 1.759 40 0 HDABMO CCN1CC[C@]2(CN(S(C)(=O)=O)CC23CC[NH+](Cc2ccccn2)CC3)C1=O ZINC000096036540 559090436 /nfs/dbraw/zinc/09/04/36/559090436.db2.gz ZTICUKMBHXJKDJ-FQEVSTJZSA-N 1 1 406.552 1.178 40 0 HDABMO O=C(c1cnccn1)N1CCC2(C[N@@H+](Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000096062600 559094246 /nfs/dbraw/zinc/09/42/46/559094246.db2.gz ITNGDWSWMVUZMB-QFIPXVFZSA-N 1 1 406.490 1.116 40 0 HDABMO O=C(c1ccncn1)N1CCC2(C[N@@H+](Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000096262535 559106505 /nfs/dbraw/zinc/10/65/05/559106505.db2.gz WOCYMMNWRJXBLI-QFIPXVFZSA-N 1 1 406.490 1.116 40 0 HDABMO CN(C)C(=O)N1CCN(c2ccc3ccc(C(=O)N4CCC[N@@H+](C)CC4)cn32)CC1 ZINC000096267394 559108074 /nfs/dbraw/zinc/10/80/74/559108074.db2.gz COIZDTFJCUXMRW-UHFFFAOYSA-N 1 1 412.538 1.521 40 0 HDABMO CN1CCN(C(=O)c2ccc3nnc([C@H]4CC[N@@H+](Cc5cccnc5)C4)n3c2)CC1 ZINC000096267563 559108150 /nfs/dbraw/zinc/10/81/50/559108150.db2.gz ICGMTGLHLZAYIZ-SFHVURJKSA-N 1 1 405.506 1.501 40 0 HDABMO O=C(NC[C@]1(O)CC[N@H+](Cc2ccc(OCCF)cc2)C[C@H]1O)c1cscn1 ZINC000585269891 559116106 /nfs/dbraw/zinc/11/61/06/559116106.db2.gz OWLOAXANMSQLGG-IEBWSBKVSA-N 1 1 409.483 1.219 40 0 HDABMO CC(=O)N1CC[N@@H+](CC2(O)CCOCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282625 559120142 /nfs/dbraw/zinc/12/01/42/559120142.db2.gz LUECJWIDWKSAQI-JOCHJYFZSA-N 1 1 406.523 1.119 40 0 HDABMO C[N@@H+](CCc1ccccn1)C[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O ZINC000585286439 559121964 /nfs/dbraw/zinc/12/19/64/559121964.db2.gz ZSNMUQOJRZBRSP-PZJWPPBQSA-N 1 1 403.910 1.847 40 0 HDABMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000100780768 559140815 /nfs/dbraw/zinc/14/08/15/559140815.db2.gz BCDATEVWEUPLFX-KRWDZBQOSA-N 1 1 400.479 1.648 40 0 HDABMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000100780765 559140835 /nfs/dbraw/zinc/14/08/35/559140835.db2.gz BCDATEVWEUPLFX-QGZVFWFLSA-N 1 1 400.479 1.648 40 0 HDABMO COc1ccc(CN2CC3(C2)CN(C(=O)Cc2ccccc2)C[C@H]2C[C@@H](O)C[N@H+]23)cc1 ZINC000514289155 560033213 /nfs/dbraw/zinc/03/32/13/560033213.db2.gz IRNJUKPSAHGNPU-FGZHOGPDSA-N 1 1 421.541 1.770 40 0 biogenic,in-vitro HDABMO COc1ccc(CN2CC3(C2)CN(C(=O)Cc2ccccc2)C[C@H]2C[C@@H](O)C[N@@H+]23)cc1 ZINC000514289155 560033215 /nfs/dbraw/zinc/03/32/15/560033215.db2.gz IRNJUKPSAHGNPU-FGZHOGPDSA-N 1 1 421.541 1.770 40 0 biogenic,in-vitro HDABMO O[C@@H]1[C@@H](N2CCC(Cc3ccccc3)CC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccncc1 ZINC000020463769 560092890 /nfs/dbraw/zinc/09/28/90/560092890.db2.gz ZGAFQFNSHFVCQI-ZSXJVMONSA-N 1 1 409.530 1.979 40 0 biogenic,in-vitro HDABMO COCCN1[NH+]=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n1C ZINC000008725134 560637893 /nfs/dbraw/zinc/63/78/93/560637893.db2.gz GQKQGLPTTGCCFD-INIZCTEOSA-N 1 1 424.505 1.965 40 0 HDABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2Cl)CC1 ZINC000409391349 560718951 /nfs/dbraw/zinc/71/89/51/560718951.db2.gz NMAVFIYYJKWXMS-UHFFFAOYSA-N 1 1 415.943 1.667 40 0 HDABMO CCn1c(=O)c2c3c(sc2n(CC(=O)OC)c1=O)C[N@H+](Cc1ccccc1)CC3 ZINC000014162746 560839416 /nfs/dbraw/zinc/83/94/16/560839416.db2.gz LZEZUSBWJUTHLH-UHFFFAOYSA-N 1 1 413.499 1.976 40 0 HDABMO CCn1c(=O)c2c3c(sc2n(CC(=O)OC)c1=O)C[N@@H+](Cc1ccccc1)CC3 ZINC000014162746 560839418 /nfs/dbraw/zinc/83/94/18/560839418.db2.gz LZEZUSBWJUTHLH-UHFFFAOYSA-N 1 1 413.499 1.976 40 0 HDABMO O=C(COc1ccccc1)N1CC2(C1)C[N@@H+](Cc1ccccc1)C[C@@H]1COCCN12 ZINC000604381782 568489307 /nfs/dbraw/zinc/48/93/07/568489307.db2.gz ODGWKKGMOQKFLG-OAQYLSRUSA-N 1 1 407.514 1.863 40 0 biogenic,in-vitro HDABMO O=C(Nc1nnc(S(=O)(=O)NCCC[NH+]2CCCCC2)s1)c1ccccc1 ZINC000223861238 568561235 /nfs/dbraw/zinc/56/12/35/568561235.db2.gz ZDRZULPLWKPUTJ-UHFFFAOYSA-N 1 1 409.537 1.945 40 0 HDABMO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000224713259 568593462 /nfs/dbraw/zinc/59/34/62/568593462.db2.gz WKCGVCSCGFUCOA-UHFFFAOYSA-N 1 1 417.531 1.601 40 0 HDABMO Cn1ccnc1-c1cnc(C[C@@H]2CC[N@H+](C3CCN(S(C)(=O)=O)CC3)C2)cn1 ZINC000257212305 568779852 /nfs/dbraw/zinc/77/98/52/568779852.db2.gz CCTKQJBCRJGGFQ-HNNXBMFYSA-N 1 1 404.540 1.166 40 0 HDABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)c3[nH]c4ccc(F)cc4c3C)[C@H]2O)CC1 ZINC000257230292 568785002 /nfs/dbraw/zinc/78/50/02/568785002.db2.gz GBPKSSKQHMHIMH-SFHLNBCPSA-N 1 1 416.497 1.791 40 0 HDABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)c3cc[nH]n3)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257231584 568785295 /nfs/dbraw/zinc/78/52/95/568785295.db2.gz GHJCNIRDRBLHGA-PXNSSMCTSA-N 1 1 411.506 1.484 40 0 HDABMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CC[C@@H](O)[C@H]2[C@H](c3ccccc3)C[N@H+](C)[C@@H]2C1 ZINC000257256787 568792008 /nfs/dbraw/zinc/79/20/08/568792008.db2.gz KMXPPFOKBJFOMY-XFKSJGNHSA-N 1 1 412.490 1.046 40 0 HDABMO COc1ccc(C[N@@H+](C)C[C@]2(O)CCCN(C(=O)c3cc(C)nc(=O)[nH]3)CC2)cc1 ZINC000257326483 568812155 /nfs/dbraw/zinc/81/21/55/568812155.db2.gz WXJGBGYITMANMS-QFIPXVFZSA-N 1 1 414.506 1.988 40 0 HDABMO O=C(CCCc1nc2cc(Cl)ccc2[nH]1)N[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257339311 568815854 /nfs/dbraw/zinc/81/58/54/568815854.db2.gz ZBFCXYIEIGQZGW-WRWLIDTKSA-N 1 1 406.914 1.879 40 0 HDABMO Cc1cc(OCC(=O)N2CC[C@H](O)[C@@H]([NH+]3CCOCC3)CC2)c2cccc(C)c2n1 ZINC000257344323 568817323 /nfs/dbraw/zinc/81/73/23/568817323.db2.gz ZWSCMZSGWZVZET-PMACEKPBSA-N 1 1 413.518 1.915 40 0 HDABMO Cc1cccc(C[N@H+]2CC[C@]3(CCn4c3nn(Cc3ccccn3)c(=O)c4=O)C2)c1 ZINC000306123854 568886995 /nfs/dbraw/zinc/88/69/95/568886995.db2.gz AYLSXXFZSUCYJS-QHCPKHFHSA-N 1 1 403.486 1.704 40 0 HDABMO CS(=O)(=O)N[C@@H]1CCN(C(=O)CC2CC2)C[C@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000306128102 568890954 /nfs/dbraw/zinc/89/09/54/568890954.db2.gz GQDGSHSPUNCYLH-TZIWHRDSSA-N 1 1 405.564 1.829 40 0 HDABMO C[C@@H]1CN(c2ncc3c(n2)[C@@]2(CC[N@H+](Cc4cnc(N)nc4)C2)COC3)C[C@H](C)O1 ZINC000306130251 568892657 /nfs/dbraw/zinc/89/26/57/568892657.db2.gz JADPZQCOLZNUOA-LRAJWGHMSA-N 1 1 411.510 1.136 40 0 HDABMO C[C@@H]1CN(c2ncc3c(n2)[C@@]2(CC[N@@H+](Cc4cnc(N)nc4)C2)COC3)C[C@H](C)O1 ZINC000306130251 568892659 /nfs/dbraw/zinc/89/26/59/568892659.db2.gz JADPZQCOLZNUOA-LRAJWGHMSA-N 1 1 411.510 1.136 40 0 HDABMO C[C@@H]1CN(c2ncc3c(n2)[C@]2(CC[N@H+](Cc4cnc(N)nc4)C2)COC3)C[C@H](C)O1 ZINC000306130254 568892669 /nfs/dbraw/zinc/89/26/69/568892669.db2.gz JADPZQCOLZNUOA-ZSDSOXJFSA-N 1 1 411.510 1.136 40 0 HDABMO C[C@@H]1CN(c2ncc3c(n2)[C@]2(CC[N@@H+](Cc4cnc(N)nc4)C2)COC3)C[C@H](C)O1 ZINC000306130254 568892670 /nfs/dbraw/zinc/89/26/70/568892670.db2.gz JADPZQCOLZNUOA-ZSDSOXJFSA-N 1 1 411.510 1.136 40 0 HDABMO O=c1c(=O)n(C2CCCC2)nc2n1C[C@@]1(CC[N@H+](Cc3cccc(F)c3)C1)OC2 ZINC000306133475 568895664 /nfs/dbraw/zinc/89/56/64/568895664.db2.gz MMRKOQDZQRCGFE-NRFANRHFSA-N 1 1 400.454 1.834 40 0 HDABMO CC(C)NC(=O)N1CC[C@]2(CCn3c2nc2c(c3=O)C[N@H+](Cc3ccoc3)CC2)C1 ZINC000306137584 568899689 /nfs/dbraw/zinc/89/96/89/568899689.db2.gz RAOAXEBCZRGUGB-QFIPXVFZSA-N 1 1 411.506 1.860 40 0 HDABMO CC(C)NC(=O)N1CC[C@]2(CCn3c2nc2c(c3=O)C[N@@H+](Cc3ccoc3)CC2)C1 ZINC000306137584 568899691 /nfs/dbraw/zinc/89/96/91/568899691.db2.gz RAOAXEBCZRGUGB-QFIPXVFZSA-N 1 1 411.506 1.860 40 0 HDABMO C[NH+]1CCN(c2ncc3c(n2)[C@]2(CCN(C(=O)CC4CCOCC4)C2)COC3)CC1 ZINC000306138748 568900568 /nfs/dbraw/zinc/90/05/68/568900568.db2.gz SGGAFVITFQKTDX-QFIPXVFZSA-N 1 1 415.538 1.045 40 0 HDABMO O=C([C@H]1CCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019405351 569345396 /nfs/dbraw/zinc/34/53/96/569345396.db2.gz XGDKWXQCTSBJTQ-VQTJNVASSA-N 1 1 423.517 1.956 40 0 HDABMO O=C([C@H]1CCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019405351 569345397 /nfs/dbraw/zinc/34/53/97/569345397.db2.gz XGDKWXQCTSBJTQ-VQTJNVASSA-N 1 1 423.517 1.956 40 0 HDABMO COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000033584551 569350636 /nfs/dbraw/zinc/35/06/36/569350636.db2.gz BWCHBIBKIYBUTE-UHFFFAOYSA-N 1 1 419.503 1.649 40 0 HDABMO CCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000019824879 519902696 /nfs/dbraw/zinc/90/26/96/519902696.db2.gz SPGUDNRHFZOYQO-UHFFFAOYSA-N 1 1 418.563 1.955 40 0 HDABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NC)cc2c1 ZINC000019824514 521283719 /nfs/dbraw/zinc/28/37/19/521283719.db2.gz PIJUQTLQAIFRRR-UHFFFAOYSA-N 1 1 418.563 1.955 40 0 HDABMO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](CC)CC3)CC2)cc1 ZINC000408558560 557455955 /nfs/dbraw/zinc/45/59/55/557455955.db2.gz JSGWWAZYMWBGSA-UHFFFAOYSA-N 1 1 409.552 1.650 40 0 HDABMO CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(F)cc1 ZINC000408618882 557535512 /nfs/dbraw/zinc/53/55/12/557535512.db2.gz GQOZAPWUODOAFY-UHFFFAOYSA-N 1 1 419.522 1.932 40 0 HDABMO COCCn1c2nc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)ccc2c(=O)n(C)c1=O ZINC000019743059 558263543 /nfs/dbraw/zinc/26/35/43/558263543.db2.gz YXRMCCKPAJXRCH-KRWDZBQOSA-N 1 1 409.490 1.516 40 0 HDABMO C[N@H+]1CCC[C@@H](CNC(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)C1 ZINC000019751620 558271595 /nfs/dbraw/zinc/27/15/95/558271595.db2.gz FBXRFHRIPKICLM-HNNXBMFYSA-N 1 1 400.454 1.698 40 0 HDABMO C[NH+]1CCN(C(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)CC1 ZINC000019935408 558311793 /nfs/dbraw/zinc/31/17/93/558311793.db2.gz GMRAUPXQJIKTDH-UHFFFAOYSA-N 1 1 401.916 1.277 40 0 HDABMO CC(=O)Nc1cccc(S(=O)(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1 ZINC000012219591 558354963 /nfs/dbraw/zinc/35/49/63/558354963.db2.gz UCDJVWIGZHNSGB-UHFFFAOYSA-N 1 1 408.524 1.140 40 0 HDABMO COc1ccc([C@H](CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)[NH+]2CCCC2)cc1 ZINC000012328401 558383800 /nfs/dbraw/zinc/38/38/00/558383800.db2.gz DDWDUSDYVJWFGJ-IBGZPJMESA-N 1 1 416.503 1.980 40 0 HDABMO Cc1ccc(N([C@@H](C)C(=O)NCCC[NH+]2CCN(C)CC2)S(C)(=O)=O)cc1C ZINC000022934987 558526180 /nfs/dbraw/zinc/52/61/80/558526180.db2.gz RWJKYKQZKUCHGH-SFHVURJKSA-N 1 1 410.584 1.212 40 0 HDABMO C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)CN2CC[NH+](C)CC2)cc1 ZINC000035313647 558789796 /nfs/dbraw/zinc/78/97/96/558789796.db2.gz XPHIWINFEWLEMK-IRXDYDNUSA-N 1 1 408.568 1.824 40 0 HDABMO O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCCC[NH+]1CCOCC1 ZINC000036685279 558800927 /nfs/dbraw/zinc/80/09/27/558800927.db2.gz OVTZLMNQKMYVOP-UHFFFAOYSA-N 1 1 409.552 1.242 40 0 HDABMO CC(=O)NCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019021363 558837950 /nfs/dbraw/zinc/83/79/50/558837950.db2.gz KPTTZFCGXPPZRH-IBGZPJMESA-N 1 1 424.505 1.325 40 0 HDABMO CC(=O)NCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019021363 558837953 /nfs/dbraw/zinc/83/79/53/558837953.db2.gz KPTTZFCGXPPZRH-IBGZPJMESA-N 1 1 424.505 1.325 40 0 HDABMO Cc1ccccc1[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C[C@H]1c1csnn1 ZINC000019237422 558856579 /nfs/dbraw/zinc/85/65/79/558856579.db2.gz XZMXJVDKNWJYGA-RYQLBKOJSA-N 1 1 413.547 1.753 40 0 HDABMO Cc1nnn(C23C[C@@H]4C[C@@H](CC(C(=O)N5CC[NH+](CCOC(C)C)CC5)(C4)C2)C3)n1 ZINC000019288378 558861398 /nfs/dbraw/zinc/86/13/98/558861398.db2.gz NBFKMVXSMDNUBE-IVCWUUCSSA-N 1 1 416.570 1.846 40 0 HDABMO O=C(C[C@H]1C(=O)NCC[N@H+]1C1CCCC1)NCCCc1nc2cc(F)ccc2[nH]1 ZINC000019346123 558873378 /nfs/dbraw/zinc/87/33/78/558873378.db2.gz GWPQJVRPMOODOZ-SFHVURJKSA-N 1 1 401.486 1.884 40 0 HDABMO CS(=O)(=O)N1CCc2nc([C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)[nH]c(=O)c2C1 ZINC000019572723 558930799 /nfs/dbraw/zinc/93/07/99/558930799.db2.gz RXYBMGQIQMHZLQ-HNNXBMFYSA-N 1 1 420.510 1.606 40 0 HDABMO CS(=O)(=O)N1CCc2nc([C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)[nH]c(=O)c2C1 ZINC000019572735 558930853 /nfs/dbraw/zinc/93/08/53/558930853.db2.gz FQCIJJNWGJXOSM-HNNXBMFYSA-N 1 1 420.510 1.606 40 0 HDABMO COc1ccc2c(c1)C(=O)N[C@]1(C[N@@H+](Cc3cccnc3)C[C@@H]1C(=O)N(C)C)CC2 ZINC000072334374 558935388 /nfs/dbraw/zinc/93/53/88/558935388.db2.gz DJMNXYSEZNPUIM-OFNKIYASSA-N 1 1 408.502 1.725 40 0 HDABMO COc1cc(CCC(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@@H+](C)CC4)C2)on1 ZINC000019590235 558940861 /nfs/dbraw/zinc/94/08/61/558940861.db2.gz CNHDVGIOZHEYQE-CYBMUJFWSA-N 1 1 401.467 1.506 40 0 HDABMO Cc1cc(-c2cnn(C)c2)cc([C@@H]2CC[N@@H+](CC(=O)N3CCC(C(N)=O)CC3)C2)n1 ZINC000072374657 558962524 /nfs/dbraw/zinc/96/25/24/558962524.db2.gz ODZAONYQRWUBSS-QGZVFWFLSA-N 1 1 410.522 1.304 40 0 HDABMO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000096833172 558988756 /nfs/dbraw/zinc/98/87/56/558988756.db2.gz KYBSGTWCHDEYMC-FQYKUNGXSA-N 1 1 405.882 1.548 40 0 HDABMO O=C(NCC(F)(F)F)[C@@H]1C[N@H+](Cc2cccc(OCCO)c2)CC12CCOCC2 ZINC000585101860 559024920 /nfs/dbraw/zinc/02/49/20/559024920.db2.gz HEBHKLAODXSHPX-KRWDZBQOSA-N 1 1 416.440 1.965 40 0 HDABMO COC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccn1)CC2 ZINC000585103717 559025778 /nfs/dbraw/zinc/02/57/78/559025778.db2.gz ITGKBSJGOJXADQ-SJORKVTESA-N 1 1 423.535 1.279 40 0 HDABMO COC(=O)[C@@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccn1)CC2 ZINC000585103717 559025779 /nfs/dbraw/zinc/02/57/79/559025779.db2.gz ITGKBSJGOJXADQ-SJORKVTESA-N 1 1 423.535 1.279 40 0 HDABMO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@@H](C[N@H+]4CC[C@H](O)C4)C3)CC2)cc1 ZINC000585103382 559026602 /nfs/dbraw/zinc/02/66/02/559026602.db2.gz GCUGFFVTGUQZRY-LEWJYISDSA-N 1 1 401.551 1.759 40 0 HDABMO CCOC(=O)[C@H]1CN2CCN(C(=O)c3conc3C)C[C@@H]2C[N@H+](Cc2ccco2)C1 ZINC000585108222 559030020 /nfs/dbraw/zinc/03/00/20/559030020.db2.gz YXTKZTVNLBIMGA-SJORKVTESA-N 1 1 416.478 1.398 40 0 HDABMO CCOC(=O)[C@H]1CN2CCN(C(=O)c3conc3C)C[C@@H]2C[N@@H+](Cc2ccco2)C1 ZINC000585108222 559030021 /nfs/dbraw/zinc/03/00/21/559030021.db2.gz YXTKZTVNLBIMGA-SJORKVTESA-N 1 1 416.478 1.398 40 0 HDABMO O=S1(=O)c2ccccc2O[C@H]2CC[N@H+](CCO)CC[C@@H]2N1Cc1cccnc1 ZINC000096263951 559107309 /nfs/dbraw/zinc/10/73/09/559107309.db2.gz AMWAJNTUYVDSNR-ROUUACIJSA-N 1 1 403.504 1.490 40 0 HDABMO COc1cccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCCOCCO)cc2)c1 ZINC000585269708 559115982 /nfs/dbraw/zinc/11/59/82/559115982.db2.gz IHIGEBYTULLREG-LJQANCHMSA-N 1 1 405.491 1.955 40 0 HDABMO C[N@@H+](Cc1ccc(OCCOCCO)cc1)C[C@@]1(O)CCCN(c2cnccn2)C1 ZINC000585269844 559116171 /nfs/dbraw/zinc/11/61/71/559116171.db2.gz LYNAPJIYZNZHJE-QFIPXVFZSA-N 1 1 416.522 1.328 40 0 HDABMO CC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccc(OCCn3nc(C)cc3C)cc2)C[C@H]1O ZINC000585270365 559116303 /nfs/dbraw/zinc/11/63/03/559116303.db2.gz IHQSBXIZPQKTLO-FGZHOGPDSA-N 1 1 416.522 1.013 40 0 HDABMO Cc1[nH+]ccn1CCC(=O)N1CCO[C@](COc2ccc(Cl)cc2)(CC(N)=O)C1 ZINC000585284008 559120913 /nfs/dbraw/zinc/12/09/13/559120913.db2.gz GNWAECCTOTXWEY-HXUWFJFHSA-N 1 1 420.897 1.787 40 0 HDABMO Cc1cc(OC[C@]2(CC(N)=O)CN(C(=O)[C@H]3CC[N@H+](C)C3)CCO2)ccc1Cl ZINC000585284688 559121256 /nfs/dbraw/zinc/12/12/56/559121256.db2.gz HZZBNKFEPFHAGX-YWZLYKJASA-N 1 1 409.914 1.452 40 0 HDABMO CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)[N@H+]1CC1(O)CCN(C(C)=O)CC1 ZINC000585285169 559121427 /nfs/dbraw/zinc/12/14/27/559121427.db2.gz WLDXCNGQQXFAOS-NCYKPQTJSA-N 1 1 409.571 1.270 40 0 HDABMO O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1)C1CC[NH2+]CC1 ZINC000257259112 559284754 /nfs/dbraw/zinc/28/47/54/559284754.db2.gz KWWSDIMEKWLGRS-CQOQZXRMSA-N 1 1 415.578 1.676 40 0 HDABMO COc1ccccc1N1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]Cc3ccco3)[C@@H]2O)CC1 ZINC000020463838 560092855 /nfs/dbraw/zinc/09/28/55/560092855.db2.gz NEPBAFYUKVFBLU-CSEOROSGSA-N 1 1 415.490 1.053 40 0 biogenic,in-vitro HDABMO Cc1ccccc1NC(=O)[C@@H]1CC(=O)NC(N2CC[NH+](Cc3ccccc3)CC2)=N1 ZINC000014606973 560846752 /nfs/dbraw/zinc/84/67/52/560846752.db2.gz PBJCWZBUMSNUBX-FQEVSTJZSA-N 1 1 405.502 1.996 40 0 HDABMO COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000019220899 560872111 /nfs/dbraw/zinc/87/21/11/560872111.db2.gz SEABKHQAIUEJCC-YLJYHZDGSA-N 1 1 423.521 1.339 40 0 HDABMO CN1CC[NH+](CCCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)CC1 ZINC000022829982 568499805 /nfs/dbraw/zinc/49/98/05/568499805.db2.gz ZBRDEAOIHDSEBX-UHFFFAOYSA-N 1 1 414.547 1.126 40 0 HDABMO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000224584042 568586191 /nfs/dbraw/zinc/58/61/91/568586191.db2.gz QTNXZUQQUXBABV-LJQANCHMSA-N 1 1 409.552 1.197 40 0 HDABMO NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccnn1C1CCCC1 ZINC000257203127 568777027 /nfs/dbraw/zinc/77/70/27/568777027.db2.gz AOUDJKBJEZGOSX-IBGZPJMESA-N 1 1 410.522 1.608 40 0 HDABMO NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccnn1C1CCCC1 ZINC000257203127 568777028 /nfs/dbraw/zinc/77/70/28/568777028.db2.gz AOUDJKBJEZGOSX-IBGZPJMESA-N 1 1 410.522 1.608 40 0 HDABMO CCn1nc(C(=O)N(C)[C@@H]2CCC[C@@H]([NH+]3CCOCC3)[C@@H]2O)c2ccccc2c1=O ZINC000257217701 568781263 /nfs/dbraw/zinc/78/12/63/568781263.db2.gz DAFOIBWTUHRINM-QWFCFKBJSA-N 1 1 414.506 1.103 40 0 HDABMO CC(C)c1nc2ccccc2n1CC(=O)N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257226291 568783976 /nfs/dbraw/zinc/78/39/76/568783976.db2.gz FJZWGXTXQIZCKJ-YFVAEKQCSA-N 1 1 400.523 1.890 40 0 HDABMO Cc1nc2cc(C)c(C)cc2n1CC(=O)N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257236317 568786569 /nfs/dbraw/zinc/78/65/69/568786569.db2.gz HBOOUOVIDXWMOM-SFGWALBWSA-N 1 1 400.523 1.692 40 0 HDABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)c3ncccn3)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257239728 568787506 /nfs/dbraw/zinc/78/75/06/568787506.db2.gz HQODMUZLPBDLAI-ICSRJNTNSA-N 1 1 423.517 1.550 40 0 HDABMO NC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000257267739 568794977 /nfs/dbraw/zinc/79/49/77/568794977.db2.gz MIOUENZTSGJAFZ-JOCHJYFZSA-N 1 1 410.474 1.701 40 0 HDABMO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000257267739 568794979 /nfs/dbraw/zinc/79/49/79/568794979.db2.gz MIOUENZTSGJAFZ-JOCHJYFZSA-N 1 1 410.474 1.701 40 0 HDABMO CN1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)C[N@@H+](CC3CC3)CCO2)CC1 ZINC000257269442 568795418 /nfs/dbraw/zinc/79/54/18/568795418.db2.gz MPYFRXVTTORMSX-QFIPXVFZSA-N 1 1 405.514 1.850 40 0 HDABMO CCc1nc2ccccc2n1CCC(=O)N(C)[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257342268 568816818 /nfs/dbraw/zinc/81/68/18/568816818.db2.gz ZNVLLEMBZLTTGD-WOIUINJBSA-N 1 1 400.523 1.671 40 0 HDABMO CC(C)NC(=O)N1CC[C@]2(CCn3c2nc2c(c3=O)C[N@H+](Cc3cccnc3)CC2)C1 ZINC000306123433 568886502 /nfs/dbraw/zinc/88/65/02/568886502.db2.gz AMZOHQPNQBARHV-QHCPKHFHSA-N 1 1 422.533 1.662 40 0 HDABMO CC(C)NC(=O)N1CC[C@]2(CCn3c2nc2c(c3=O)C[N@@H+](Cc3cccnc3)CC2)C1 ZINC000306123433 568886505 /nfs/dbraw/zinc/88/65/05/568886505.db2.gz AMZOHQPNQBARHV-QHCPKHFHSA-N 1 1 422.533 1.662 40 0 HDABMO Cc1cccc(C[N@H+]2CC[C@]3(Cc4nn(Cc5ccc(F)cc5)c(=O)c(=O)n4C3)C2)n1 ZINC000306126007 568888647 /nfs/dbraw/zinc/88/86/47/568888647.db2.gz DJGNUQJHJTVSMS-QHCPKHFHSA-N 1 1 421.476 1.744 40 0 HDABMO COCCN1C[C@]2(CC[N@H+](Cc3ccncc3)C2)Oc2ccccc2S1(=O)=O ZINC000306126124 568888852 /nfs/dbraw/zinc/88/88/52/568888852.db2.gz DNMNKBHXGVEOMV-HXUWFJFHSA-N 1 1 403.504 1.756 40 0 HDABMO COCCN1C[C@]2(CC[N@@H+](Cc3ccncc3)C2)Oc2ccccc2S1(=O)=O ZINC000306126124 568888853 /nfs/dbraw/zinc/88/88/53/568888853.db2.gz DNMNKBHXGVEOMV-HXUWFJFHSA-N 1 1 403.504 1.756 40 0 HDABMO COCCN1C[C@@]2(CC[N@H+](Cc3cccnc3)C2)Oc2ccccc2S1(=O)=O ZINC000306131094 568893341 /nfs/dbraw/zinc/89/33/41/568893341.db2.gz JWOHLVZXHMVYEP-FQEVSTJZSA-N 1 1 403.504 1.756 40 0 HDABMO COCCN1C[C@@]2(CC[N@@H+](Cc3cccnc3)C2)Oc2ccccc2S1(=O)=O ZINC000306131094 568893343 /nfs/dbraw/zinc/89/33/43/568893343.db2.gz JWOHLVZXHMVYEP-FQEVSTJZSA-N 1 1 403.504 1.756 40 0 HDABMO COCCn1ccc(C(=O)N2CC3(C2)C[C@@H](COCc2ccccn2)CC[N@@H+]3C)n1 ZINC000306131384 568893564 /nfs/dbraw/zinc/89/35/64/568893564.db2.gz KCWSDGPBZIGCOT-SFHVURJKSA-N 1 1 413.522 1.678 40 0 HDABMO COCCn1ccc(C(=O)N2CC3(C2)C[C@@H](COCc2ccccn2)CC[N@H+]3C)n1 ZINC000306131384 568893567 /nfs/dbraw/zinc/89/35/67/568893567.db2.gz KCWSDGPBZIGCOT-SFHVURJKSA-N 1 1 413.522 1.678 40 0 HDABMO COCCN1C[C@@]2(CC[N@H+](Cc3ccccn3)C2)Oc2ccccc2S1(=O)=O ZINC000306138603 568900350 /nfs/dbraw/zinc/90/03/50/568900350.db2.gz SBQQLDMEVAQZCW-FQEVSTJZSA-N 1 1 403.504 1.756 40 0 HDABMO COCCN1C[C@@]2(CC[N@@H+](Cc3ccccn3)C2)Oc2ccccc2S1(=O)=O ZINC000306138603 568900352 /nfs/dbraw/zinc/90/03/52/568900352.db2.gz SBQQLDMEVAQZCW-FQEVSTJZSA-N 1 1 403.504 1.756 40 0 HDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@]2(CC[N@H+](Cc4nccs4)C2)C3)cs1 ZINC000306141888 568903271 /nfs/dbraw/zinc/90/32/71/568903271.db2.gz WJCRRVFOVGHZPY-GOSISDBHSA-N 1 1 416.532 1.123 40 0 HDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@]2(CC[N@@H+](Cc4nccs4)C2)C3)cs1 ZINC000306141888 568903272 /nfs/dbraw/zinc/90/32/72/568903272.db2.gz WJCRRVFOVGHZPY-GOSISDBHSA-N 1 1 416.532 1.123 40 0 HDABMO C[C@@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 ZINC000016033940 569028052 /nfs/dbraw/zinc/02/80/52/569028052.db2.gz OTFGQGNYDVZDKF-NHKJMJOASA-N 1 1 415.465 1.650 40 0 HDABMO CC(C)[C@H]([NH2+][C@@H]1C=CS(=O)(=O)C1)C(=O)N[C@@H]1CCC(=O)N[C@H]1[C@H]1CC=CCC1 ZINC000012146582 569344595 /nfs/dbraw/zinc/34/45/95/569344595.db2.gz HAQXXJMSILHTMN-CFRSGVNKSA-N 1 1 409.552 1.031 40 0 HDABMO CNc1cc(CN(C)C(C)=O)nc(C2CCN(C(=O)C[N@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000019710150 569348229 /nfs/dbraw/zinc/34/82/29/569348229.db2.gz FVWHEUVJBDHCOC-MRXNPFEDSA-N 1 1 416.570 1.935 40 0 HDABMO Cc1nnc(Nc2cc([C@H]3CCCN(C(=O)/C=C/C[NH+](C)C)C3)nc(C)n2)s1 ZINC000585292827 571310396 /nfs/dbraw/zinc/31/03/96/571310396.db2.gz SPISVNRIKVJRFU-VFADXPBXSA-N 1 1 401.540 2.512 40 0 HDABMO CC(=O)N1CCC([N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000015674958 291190308 /nfs/dbraw/zinc/19/03/08/291190308.db2.gz ZDQGOEWWIOWOJU-CVEARBPZSA-N 1 1 400.435 1.584 40 0 biogenic,in-vitro HDABMO CC(=O)N1CCC([N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000015674958 291190311 /nfs/dbraw/zinc/19/03/11/291190311.db2.gz ZDQGOEWWIOWOJU-CVEARBPZSA-N 1 1 400.435 1.584 40 0 biogenic,in-vitro HDABMO CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3CN(C)CC[NH+](C)C)cc1 ZINC000020503817 291193066 /nfs/dbraw/zinc/19/30/66/291193066.db2.gz IUSLSVPTTKWMFZ-JAXLGGSGSA-N 1 1 401.599 1.686 40 0 biogenic,in-vitro HDABMO CN(C)CC[N@H+](C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(N(C)C)cc1 ZINC000020503817 291193067 /nfs/dbraw/zinc/19/30/67/291193067.db2.gz IUSLSVPTTKWMFZ-JAXLGGSGSA-N 1 1 401.599 1.686 40 0 biogenic,in-vitro HDABMO CN(C)CC[N@@H+](C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(N(C)C)cc1 ZINC000020503817 291193068 /nfs/dbraw/zinc/19/30/68/291193068.db2.gz IUSLSVPTTKWMFZ-JAXLGGSGSA-N 1 1 401.599 1.686 40 0 biogenic,in-vitro HDABMO C[N@H+]1[C@@H]2CCN(Cc3ccccn3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccco1 ZINC000022920851 291194188 /nfs/dbraw/zinc/19/41/88/291194188.db2.gz DDODNCRAPYKVHS-DSKINZAPSA-N 1 1 411.506 1.144 40 0 biogenic,in-vitro HDABMO CC1CCN(S(=O)(=O)c2ccc(NC(=O)C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC000032117922 521030816 /nfs/dbraw/zinc/03/08/16/521030816.db2.gz VVRYFTMUJXGSAF-UHFFFAOYSA-N 1 1 422.551 1.243 40 0 HDABMO CN1C(SCC(=O)Nc2ccc(Br)cc2)=[NH+][C@H]2CS(=O)(=O)C[C@@H]21 ZINC000032508634 523738681 /nfs/dbraw/zinc/73/86/81/523738681.db2.gz DXNFBXLQMOYYEB-RYUDHWBXSA-N 1 1 418.338 1.588 40 0 HDABMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2c1cc(C)cc2Cl ZINC000035375010 557530643 /nfs/dbraw/zinc/53/06/43/557530643.db2.gz MHUDSBSAPUUZHC-WVBPZGBESA-N 1 1 405.882 1.548 40 0 HDABMO Cc1ccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)cc1Cl ZINC000408620143 557545247 /nfs/dbraw/zinc/54/52/47/557545247.db2.gz NBUMZYJFQROBLE-UHFFFAOYSA-N 1 1 403.932 1.253 40 0 HDABMO C[N@H+]1CCC[C@H](NC(=O)Cn2cc(C(=O)NCc3ccc(F)cc3)ccc2=O)C1 ZINC000019751297 558271321 /nfs/dbraw/zinc/27/13/21/558271321.db2.gz FPCMCTPTAFKHHC-SFHVURJKSA-N 1 1 400.454 1.128 40 0 HDABMO Cc1ccc(CN(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000020518169 558383344 /nfs/dbraw/zinc/38/33/44/558383344.db2.gz XENKIRMQDRSHCM-UHFFFAOYSA-N 1 1 401.532 1.960 40 0 HDABMO Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCC[NH+]1CCOCC1)S(C)(=O)=O ZINC000022873964 558518465 /nfs/dbraw/zinc/51/84/65/558518465.db2.gz OXUISYSHWIWPRQ-HNNXBMFYSA-N 1 1 417.959 1.641 40 0 HDABMO COc1ccc(-c2c3c(ccn(N4CC[NH+](C)CC4)c3=O)nc3nc(C)nn32)cc1 ZINC000038828780 558816008 /nfs/dbraw/zinc/81/60/08/558816008.db2.gz AXZAERPQEHEFIY-UHFFFAOYSA-N 1 1 405.462 1.307 40 0 HDABMO Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CC[NH+](C)CC1)CC1(CCOCC1)O2 ZINC000019218648 558851210 /nfs/dbraw/zinc/85/12/10/558851210.db2.gz FUPCNGDYUMULKA-KRWDZBQOSA-N 1 1 401.507 1.541 40 0 HDABMO CSc1ncc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)cn1 ZINC000019574129 558931788 /nfs/dbraw/zinc/93/17/88/558931788.db2.gz QVVPVPRUEBUMQE-OAHLLOKOSA-N 1 1 402.524 1.498 40 0 HDABMO CN(C)C(=O)[C@H]1C[N@@H+](CCOc2ccccc2)C[C@@]12COc1ccccc1C(=O)N2 ZINC000019581116 558936583 /nfs/dbraw/zinc/93/65/83/558936583.db2.gz IQBBLHKRDBNUFJ-AUSIDOKSSA-N 1 1 409.486 1.647 40 0 HDABMO COC(=O)[C@@]1(CC(=O)N2CCOCC2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340217 558939069 /nfs/dbraw/zinc/93/90/69/558939069.db2.gz KJDBQUHOXWHVNH-KGVIQGDOSA-N 1 1 418.465 1.540 40 0 HDABMO COC(=O)[C@@]1(CC(=O)N2CCOCC2)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1 ZINC000072340217 558939072 /nfs/dbraw/zinc/93/90/72/558939072.db2.gz KJDBQUHOXWHVNH-KGVIQGDOSA-N 1 1 418.465 1.540 40 0 HDABMO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)Cc4ccc5c(c4)OCO5)C3)[nH]c(=O)c2C1 ZINC000019590254 558940914 /nfs/dbraw/zinc/94/09/14/558940914.db2.gz FYBMTVTYIKOYLW-HNNXBMFYSA-N 1 1 410.474 1.848 40 0 HDABMO COCCOc1cccc(C[N@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)c1 ZINC000019593808 558944860 /nfs/dbraw/zinc/94/48/60/558944860.db2.gz GQDJTHASICZUND-UHFFFAOYSA-N 1 1 414.506 1.233 40 0 HDABMO NC(=O)CC[N@H+]1CCC[C@H](C(=O)N2CCN(c3nc4ccccc4s3)CC2)C1 ZINC000019654779 558948010 /nfs/dbraw/zinc/94/80/10/558948010.db2.gz SLZJTJKPJIZWHT-HNNXBMFYSA-N 1 1 401.536 1.532 40 0 HDABMO COc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@@H](Cc3cc(N(C)C)ncn3)C2)cc1 ZINC000072355126 558952342 /nfs/dbraw/zinc/95/23/42/558952342.db2.gz JAEVOOKGNFMRIK-MRXNPFEDSA-N 1 1 419.551 1.346 40 0 HDABMO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H](Cc3cc(N(C)C)ncn3)C2)cc1 ZINC000072355126 558952344 /nfs/dbraw/zinc/95/23/44/558952344.db2.gz JAEVOOKGNFMRIK-MRXNPFEDSA-N 1 1 419.551 1.346 40 0 HDABMO CCc1[nH+]ccn1[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000019666323 558956214 /nfs/dbraw/zinc/95/62/14/558956214.db2.gz CZASWYIOKAZYFV-OAHLLOKOSA-N 1 1 406.508 1.548 40 0 HDABMO O=S(=O)(Cc1ccccc1)N1CCC2(CO[C@@H](C[N@@H+]3CCC[C@H](O)C3)C2)CC1 ZINC000585103779 559025726 /nfs/dbraw/zinc/02/57/26/559025726.db2.gz JOCFOMNJFNQLIN-VQTJNVASSA-N 1 1 408.564 1.844 40 0 HDABMO COC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccn1)CC2 ZINC000585103708 559025744 /nfs/dbraw/zinc/02/57/44/559025744.db2.gz ITGKBSJGOJXADQ-DLBZAZTESA-N 1 1 423.535 1.279 40 0 HDABMO COC(=O)[C@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccn1)CC2 ZINC000585103708 559025746 /nfs/dbraw/zinc/02/57/46/559025746.db2.gz ITGKBSJGOJXADQ-DLBZAZTESA-N 1 1 423.535 1.279 40 0 HDABMO CCOC(=O)[C@H]1CN2CCN(C(=O)C3(F)CCC3)C[C@@H]2C[N@H+](Cc2ccco2)C1 ZINC000585108164 559029814 /nfs/dbraw/zinc/02/98/14/559029814.db2.gz JMVYFQQWRHDUNM-SJORKVTESA-N 1 1 407.486 1.680 40 0 HDABMO CCOC(=O)[C@H]1CN2CCN(C(=O)C3(F)CCC3)C[C@@H]2C[N@@H+](Cc2ccco2)C1 ZINC000585108164 559029816 /nfs/dbraw/zinc/02/98/16/559029816.db2.gz JMVYFQQWRHDUNM-SJORKVTESA-N 1 1 407.486 1.680 40 0 HDABMO CCOC(=O)[C@@H]1CN2CCN(C(=O)c3conc3C)C[C@@H]2C[N@H+](Cc2ccco2)C1 ZINC000585108221 559029988 /nfs/dbraw/zinc/02/99/88/559029988.db2.gz YXTKZTVNLBIMGA-IRXDYDNUSA-N 1 1 416.478 1.398 40 0 HDABMO CCOC(=O)[C@@H]1CN2CCN(C(=O)c3conc3C)C[C@@H]2C[N@@H+](Cc2ccco2)C1 ZINC000585108221 559029989 /nfs/dbraw/zinc/02/99/89/559029989.db2.gz YXTKZTVNLBIMGA-IRXDYDNUSA-N 1 1 416.478 1.398 40 0 HDABMO CCOC(=O)[C@H]1CN2CCN(C(=O)c3conc3C)C[C@H]2C[N@H+](Cc2ccco2)C1 ZINC000585108220 559030036 /nfs/dbraw/zinc/03/00/36/559030036.db2.gz YXTKZTVNLBIMGA-IAGOWNOFSA-N 1 1 416.478 1.398 40 0 HDABMO CCOC(=O)[C@H]1CN2CCN(C(=O)c3conc3C)C[C@H]2C[N@@H+](Cc2ccco2)C1 ZINC000585108220 559030037 /nfs/dbraw/zinc/03/00/37/559030037.db2.gz YXTKZTVNLBIMGA-IAGOWNOFSA-N 1 1 416.478 1.398 40 0 HDABMO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000585183505 559070300 /nfs/dbraw/zinc/07/03/00/559070300.db2.gz WTSFUXXDCVTOKZ-IBGZPJMESA-N 1 1 424.501 1.329 40 0 HDABMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000585183505 559070302 /nfs/dbraw/zinc/07/03/02/559070302.db2.gz WTSFUXXDCVTOKZ-IBGZPJMESA-N 1 1 424.501 1.329 40 0 HDABMO CCN1CC[C@@]2(C[N@@H+](Cc3cccnc3)CC23CCN(S(=O)(=O)CC)CC3)C1=O ZINC000096036485 559090228 /nfs/dbraw/zinc/09/02/28/559090228.db2.gz XXIRJRAFEZCCTA-OAQYLSRUSA-N 1 1 420.579 1.568 40 0 HDABMO CC(C)CN1CC2(CC[NH+](CC(=O)N(C)C)CC2)COc2ccccc2S1(=O)=O ZINC000096145158 559097096 /nfs/dbraw/zinc/09/70/96/559097096.db2.gz BCXIECTWERUOCM-UHFFFAOYSA-N 1 1 423.579 1.896 40 0 HDABMO COc1ccc(C(=O)N2CC[C@H]3[N@@H+](C)CC[C@@]3(C(=O)N3CCOCC3)CC2)cc1 ZINC000096145294 559097263 /nfs/dbraw/zinc/09/72/63/559097263.db2.gz NYDFRNHUJRUEGN-DENIHFKCSA-N 1 1 401.507 1.481 40 0 HDABMO COc1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)N(C)CC[N@H+]3CC(C)C)cc1 ZINC000096230277 559102869 /nfs/dbraw/zinc/10/28/69/559102869.db2.gz SCOZJJCUJOWXMK-UHFFFAOYSA-N 1 1 409.552 1.649 40 0 HDABMO COc1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)N(C)CC[N@@H+]3CC(C)C)cc1 ZINC000096230277 559102871 /nfs/dbraw/zinc/10/28/71/559102871.db2.gz SCOZJJCUJOWXMK-UHFFFAOYSA-N 1 1 409.552 1.649 40 0 HDABMO Cc1cc(C)n(CCOc2ccc(C[N@H+]3CC[C@](O)(CN4CCOCC4)C3)cc2)n1 ZINC000257218955 559282200 /nfs/dbraw/zinc/28/22/00/559282200.db2.gz DEZOLSCDCBZZKL-QHCPKHFHSA-N 1 1 414.550 1.848 40 0 HDABMO COCCOc1cc(C[N@@H+](C)C[C@]2(O)CCN(c3ncccn3)C2)ccc1OC ZINC000257339601 559283444 /nfs/dbraw/zinc/28/34/44/559283444.db2.gz ZCKSJXWPUDHXNL-OAQYLSRUSA-N 1 1 402.495 1.584 40 0 HDABMO C=C1[NH+]=C(SCC(N)=O)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408990914 560662191 /nfs/dbraw/zinc/66/21/91/560662191.db2.gz OYNIANSTCUPZHV-INIZCTEOSA-N 1 1 423.491 1.768 40 0 HDABMO C[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1 ZINC000409137610 560682811 /nfs/dbraw/zinc/68/28/11/560682811.db2.gz WGRRPQUGSOTEKO-UHFFFAOYSA-N 1 1 417.531 1.360 40 0 HDABMO Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000013585181 560815314 /nfs/dbraw/zinc/81/53/14/560815314.db2.gz KLPRVDUOJSVOMR-UHFFFAOYSA-N 1 1 417.531 1.973 40 0 HDABMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000016021965 560858099 /nfs/dbraw/zinc/85/80/99/560858099.db2.gz KYBSGTWCHDEYMC-LKPRTZLPSA-N 1 1 405.882 1.548 40 0 HDABMO COCCn1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000019220897 560872091 /nfs/dbraw/zinc/87/20/91/560872091.db2.gz SEABKHQAIUEJCC-XLIONFOSSA-N 1 1 423.521 1.339 40 0 HDABMO COC(=O)C1=C(C[NH2+]CCN2CCOCC2)NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000020029439 560880251 /nfs/dbraw/zinc/88/02/51/560880251.db2.gz OJQXGYHCFYJSLP-IBGZPJMESA-N 1 1 402.495 1.006 40 0 HDABMO C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021005494 568460919 /nfs/dbraw/zinc/46/09/19/568460919.db2.gz BCUQTDVXJRUMQC-INIZCTEOSA-N 1 1 405.495 1.837 40 0 HDABMO C[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000022829775 568499747 /nfs/dbraw/zinc/49/97/47/568499747.db2.gz DHCLIBQMSFVMPA-HNNXBMFYSA-N 1 1 416.975 1.248 40 0 HDABMO CCc1ccc(N(CCCC(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)cc1 ZINC000222646043 568522073 /nfs/dbraw/zinc/52/20/73/568522073.db2.gz RFVAKDKAKPFYNI-UHFFFAOYSA-N 1 1 411.568 1.634 40 0 HDABMO Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCC[NH+]2CCCC2)s1 ZINC000225135020 568617133 /nfs/dbraw/zinc/61/71/33/568617133.db2.gz MPMARSUYCKRFLT-UHFFFAOYSA-N 1 1 409.537 1.863 40 0 HDABMO Cc1ccc2c(c1)[C@@]1([NH2+][C@H]([C@@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015969759 568741468 /nfs/dbraw/zinc/74/14/68/568741468.db2.gz ZLFRPPKFEDWYLX-ZKSZURHHSA-N 1 1 419.481 1.339 40 0 HDABMO Cc1cccc(C(=O)N2CC[C@@]3(C2)COCc2cnc(N4CC[NH+](C)CC4)nc23)c1 ZINC000248107207 568747490 /nfs/dbraw/zinc/74/74/90/568747490.db2.gz GCWNDBXVQHAPIT-HSZRJFAPSA-N 1 1 407.518 1.851 40 0 HDABMO CN1CC[NH+](C[C@]2(O)CCCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)CC1 ZINC000257210200 568779185 /nfs/dbraw/zinc/77/91/85/568779185.db2.gz BTQDFRZKCKUINH-QFIPXVFZSA-N 1 1 415.513 1.820 40 0 HDABMO CC(=O)N[C@]12C[N@H+](C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)NCc1ccccn1)C2 ZINC000257210654 568779230 /nfs/dbraw/zinc/77/92/30/568779230.db2.gz BVPIDHCJUQBTQU-JRFVFWCSSA-N 1 1 421.545 1.581 40 0 HDABMO CCn1c(CCCC(=O)N[C@@H]2CC[C@@H]([NH+]3CCOCC3)[C@@H]2O)nc2ccccc21 ZINC000257257731 568792305 /nfs/dbraw/zinc/79/23/05/568792305.db2.gz KQWFWNJJTOVLBY-SFGWALBWSA-N 1 1 400.523 1.719 40 0 HDABMO Cc1ocnc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCC(O)CC1 ZINC000257273790 568796826 /nfs/dbraw/zinc/79/68/26/568796826.db2.gz NIELGGTYKWOZRO-JYBIWHBTSA-N 1 1 419.453 1.258 40 0 HDABMO COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cncc(C)c3)[C@H]([N@@H+](C)CCO)[C@H]2O)c1 ZINC000257286908 568800722 /nfs/dbraw/zinc/80/07/22/568800722.db2.gz PNPVWNDMQWHFCL-CGXNFDGLSA-N 1 1 415.490 1.002 40 0 HDABMO CCCCc1cc(C(=O)N2CCC[C@](O)(C[NH+]3CCN(C(C)=O)CC3)CC2)n[nH]1 ZINC000257303852 568805725 /nfs/dbraw/zinc/80/57/25/568805725.db2.gz SIZWAFAESYJILB-OAQYLSRUSA-N 1 1 405.543 1.274 40 0 HDABMO COCCC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257327969 568812632 /nfs/dbraw/zinc/81/26/32/568812632.db2.gz XDOWPDNPQCMBNE-ICSRJNTNSA-N 1 1 403.523 1.483 40 0 HDABMO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCC(O)CC1)c1cncs1 ZINC000257341222 568816500 /nfs/dbraw/zinc/81/65/00/568816500.db2.gz ZJKJXGBJRRSCDK-FPAYPSAMSA-N 1 1 421.494 1.418 40 0 HDABMO CS(=O)(=O)N[C@@H]1CCN(C(=O)CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000306128099 568890885 /nfs/dbraw/zinc/89/08/85/568890885.db2.gz GQDGSHSPUNCYLH-CTNGQTDRSA-N 1 1 405.564 1.829 40 0 HDABMO COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CC[N@@H+](Cc4cccs4)C2)C3)cc1 ZINC000306128210 568891228 /nfs/dbraw/zinc/89/12/28/568891228.db2.gz GUJMSZNAUFXSAO-QFIPXVFZSA-N 1 1 424.526 1.972 40 0 HDABMO Cc1ccc(C[N@H+]2CC[C@@]3(CCn4c3nn(Cc3ccccn3)c(=O)c4=O)C2)s1 ZINC000306128381 568891262 /nfs/dbraw/zinc/89/12/62/568891262.db2.gz GYZYWHPFQBNJRX-OAQYLSRUSA-N 1 1 409.515 1.766 40 0 HDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CC[N@H+](Cc3nccs3)C2)cs1 ZINC000306135852 568897694 /nfs/dbraw/zinc/89/76/94/568897694.db2.gz PCTFNLGWQLONCW-GOSISDBHSA-N 1 1 416.532 1.222 40 0 HDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CC[N@@H+](Cc3nccs3)C2)cs1 ZINC000306135852 568897697 /nfs/dbraw/zinc/89/76/97/568897697.db2.gz PCTFNLGWQLONCW-GOSISDBHSA-N 1 1 416.532 1.222 40 0 HDABMO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@]1(CC[N@@H+](Cc3cccnc3)C1)C2 ZINC000306136045 568897888 /nfs/dbraw/zinc/89/78/88/568897888.db2.gz PHIRCTXZCFFFSC-JOCHJYFZSA-N 1 1 407.449 1.436 40 0 HDABMO Cc1cccc(C[N@H+]2CC[C@@]3(Cc4nn(Cc5ccccc5)c(=O)c(=O)n4C3)C2)n1 ZINC000306137091 568899005 /nfs/dbraw/zinc/89/90/05/568899005.db2.gz QLHYJAACTYKFJC-HSZRJFAPSA-N 1 1 403.486 1.605 40 0 HDABMO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CC[N@@H+](Cc3ccsc3)C2)cs1 ZINC000306143268 568904764 /nfs/dbraw/zinc/90/47/64/568904764.db2.gz XXMGHGWNKNKZKA-IBGZPJMESA-N 1 1 415.544 1.827 40 0 HDABMO CN1[C@@H]2CC[N@@H+](CC3CC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1 ZINC000035442407 291193883 /nfs/dbraw/zinc/19/38/83/291193883.db2.gz NHQWEJIQCMLRFQ-ZVDOUQERSA-N 1 1 402.514 1.505 40 0 biogenic,in-vitro HDABMO C[N@@H+]1[C@@H]2CCN(CC3CC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1 ZINC000035442407 291193885 /nfs/dbraw/zinc/19/38/85/291193885.db2.gz NHQWEJIQCMLRFQ-ZVDOUQERSA-N 1 1 402.514 1.505 40 0 biogenic,in-vitro HDABMO C[N@H+]1[C@@H]2CCN(CC3CC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1 ZINC000035442407 291193886 /nfs/dbraw/zinc/19/38/86/291193886.db2.gz NHQWEJIQCMLRFQ-ZVDOUQERSA-N 1 1 402.514 1.505 40 0 biogenic,in-vitro HDABMO COc1ccc(-c2cn(C[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C(=O)N3CCOCC3)nn2)cc1 ZINC000008299268 291196214 /nfs/dbraw/zinc/19/62/14/291196214.db2.gz TYTYKIKKVBVMDH-NSHGMRRFSA-N 1 1 411.506 1.523 40 0 biogenic,in-vitro HDABMO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(NC(=O)CN(C)C)c4=O)C2)cc1 ZINC000004259181 291196503 /nfs/dbraw/zinc/19/65/03/291196503.db2.gz LSYXVHXFZFGYJN-ZWKOTPCHSA-N 1 1 410.518 1.976 40 0 biogenic,in-vitro HDABMO COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000408701532 557721716 /nfs/dbraw/zinc/72/17/16/557721716.db2.gz ZKANJAALSUBRPN-GOSISDBHSA-N 1 1 423.579 1.993 40 0 HDABMO NC(=O)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000035882844 557829598 /nfs/dbraw/zinc/82/95/98/557829598.db2.gz STSYHFSOMPQGNX-LWYYNNOASA-N 1 1 417.421 1.459 40 0 HDABMO NC(=O)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000035882844 557829600 /nfs/dbraw/zinc/82/96/00/557829600.db2.gz STSYHFSOMPQGNX-LWYYNNOASA-N 1 1 417.421 1.459 40 0 HDABMO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000036312404 557846810 /nfs/dbraw/zinc/84/68/10/557846810.db2.gz USWVZWHCQIEETF-UHFFFAOYSA-N 1 1 415.581 1.576 40 0 HDABMO COCCn1c2nc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)ccc2c(=O)n(C)c1=O ZINC000019743049 558263261 /nfs/dbraw/zinc/26/32/61/558263261.db2.gz BUDJYSOQMATDCB-KRWDZBQOSA-N 1 1 409.490 1.516 40 0 HDABMO C[N@@H+]1CCN(C(=O)c2cccn(CC(=O)N3CCCC3)c2=O)[C@@H](c2ccccc2)C1 ZINC000019750083 558270079 /nfs/dbraw/zinc/27/00/79/558270079.db2.gz WAJQEWIHEJBLAK-HXUWFJFHSA-N 1 1 408.502 1.600 40 0 HDABMO C[N@H+]1CCN(C(=O)c2cccn(CC(=O)N3CCCC3)c2=O)[C@@H](c2ccccc2)C1 ZINC000019750083 558270083 /nfs/dbraw/zinc/27/00/83/558270083.db2.gz WAJQEWIHEJBLAK-HXUWFJFHSA-N 1 1 408.502 1.600 40 0 HDABMO COCC[NH+]1CCN(C(=O)Cn2cccc(C(=O)Nc3ccc(F)cc3)c2=O)CC1 ZINC000019750651 558270601 /nfs/dbraw/zinc/27/06/01/558270601.db2.gz FQMCPRPKROXMJJ-UHFFFAOYSA-N 1 1 416.453 1.030 40 0 HDABMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc2c(c1)OCO2 ZINC000012239420 558359845 /nfs/dbraw/zinc/35/98/45/558359845.db2.gz LPQALAUZHYLLJS-KRWDZBQOSA-N 1 1 417.487 1.881 40 0 HDABMO CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CC[NH+](CC)CC1 ZINC000022248950 558472976 /nfs/dbraw/zinc/47/29/76/558472976.db2.gz LQRODXXNESELJM-UHFFFAOYSA-N 1 1 417.959 1.913 40 0 HDABMO Cc1c(Cl)cccc1N(CC(=O)NCCC[NH+]1CCN(C)CC1)S(C)(=O)=O ZINC000022933888 558525481 /nfs/dbraw/zinc/52/54/81/558525481.db2.gz UKXBXBYUUJKLCC-UHFFFAOYSA-N 1 1 416.975 1.168 40 0 HDABMO [NH2+]=C1Nc2nc(=O)c3ccccc3n2[C@@]2(N1)C(=O)Nc1ccc(Br)cc12 ZINC000039921221 558686639 /nfs/dbraw/zinc/68/66/39/558686639.db2.gz PGCGIWCSTRGWHF-QGZVFWFLSA-N 1 1 411.219 1.552 40 0 HDABMO CS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000029881019 558723129 /nfs/dbraw/zinc/72/31/29/558723129.db2.gz NUWSTHWAKRPPGH-UHFFFAOYSA-N 1 1 403.504 1.820 40 0 HDABMO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ncccn5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000070686797 558803931 /nfs/dbraw/zinc/80/39/31/558803931.db2.gz BNFUIDSOFLPLAA-DKZVJKDKSA-N 1 1 412.534 1.884 40 0 HDABMO COC(=O)c1cccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000047266543 558841991 /nfs/dbraw/zinc/84/19/91/558841991.db2.gz YHRSNEBZYWSZME-UHFFFAOYSA-N 1 1 404.488 1.784 40 0 HDABMO C[C@@H]1CN(c2nccc([C@@H]3C[N@@H+](Cc4ccco4)C[C@H]3C(=O)N(C)C)n2)C[C@H](C)O1 ZINC000019497726 558896729 /nfs/dbraw/zinc/89/67/29/558896729.db2.gz YQCSGSRTUREASW-UKBAYJJMSA-N 1 1 413.522 1.987 40 0 HDABMO CS(=O)(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019572743 558930938 /nfs/dbraw/zinc/93/09/38/558930938.db2.gz SQSJJLRROJDIDI-OAHLLOKOSA-N 1 1 420.510 1.606 40 0 HDABMO C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)Cc4ccc5c(c4)OCO5)C3)[nH]c(=O)c2C1 ZINC000019590253 558940939 /nfs/dbraw/zinc/94/09/39/558940939.db2.gz FYBMTVTYIKOYLW-OAHLLOKOSA-N 1 1 410.474 1.848 40 0 HDABMO COc1ccc(CCNC(=O)c2ccc3c(c2)nc2n(c3=O)CC[N@H+](C)CC2)cc1 ZINC000019590765 558940988 /nfs/dbraw/zinc/94/09/88/558940988.db2.gz GLLCWTUBDHWHAQ-UHFFFAOYSA-N 1 1 406.486 1.866 40 0 HDABMO COc1ccc(CCNC(=O)c2ccc3c(c2)nc2n(c3=O)CC[N@@H+](C)CC2)cc1 ZINC000019590765 558940991 /nfs/dbraw/zinc/94/09/91/558940991.db2.gz GLLCWTUBDHWHAQ-UHFFFAOYSA-N 1 1 406.486 1.866 40 0 HDABMO CNc1nc(C2CCN(C(=O)[C@@H](C)N3CCCC3=O)CC2)nc2c1CC[N@H+](C)C2 ZINC000019710934 558973142 /nfs/dbraw/zinc/97/31/42/558973142.db2.gz HJEJEKRXIRZZCA-CQSZACIVSA-N 1 1 400.527 1.223 40 0 HDABMO CNc1nc(C2CCN(C(=O)[C@@H](C)N3CCCC3=O)CC2)nc2c1CC[N@@H+](C)C2 ZINC000019710934 558973145 /nfs/dbraw/zinc/97/31/45/558973145.db2.gz HJEJEKRXIRZZCA-CQSZACIVSA-N 1 1 400.527 1.223 40 0 HDABMO CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC[N@H+](Cc3ccccn3)CC1)C2=O ZINC000019715371 558976285 /nfs/dbraw/zinc/97/62/85/558976285.db2.gz IQKDPKFOWAJGLI-UHFFFAOYSA-N 1 1 413.522 1.617 40 0 HDABMO CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC[N@@H+](Cc3ccccn3)CC1)C2=O ZINC000019715371 558976289 /nfs/dbraw/zinc/97/62/89/558976289.db2.gz IQKDPKFOWAJGLI-UHFFFAOYSA-N 1 1 413.522 1.617 40 0 HDABMO CC(C)C[N@H+]1CC2(CCN(C(=O)CCc3cncnc3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000585091844 559022928 /nfs/dbraw/zinc/02/29/28/559022928.db2.gz DHIIMDFFQHISJK-HSZRJFAPSA-N 1 1 413.566 1.838 40 0 HDABMO CCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000585106147 559028421 /nfs/dbraw/zinc/02/84/21/559028421.db2.gz RVFSBZPIGXYFCT-MSOLQXFVSA-N 1 1 407.536 1.306 40 0 HDABMO CCN1CC[C@@]2(CN(S(C)(=O)=O)CC23CC[NH+](Cc2ccccn2)CC3)C1=O ZINC000096036541 559090429 /nfs/dbraw/zinc/09/04/29/559090429.db2.gz ZTICUKMBHXJKDJ-HXUWFJFHSA-N 1 1 406.552 1.178 40 0 HDABMO CN(C)C(=O)CNC(=O)c1ccc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000096156151 559100292 /nfs/dbraw/zinc/10/02/92/559100292.db2.gz YUSCBGAQJBYTSA-KRWDZBQOSA-N 1 1 406.490 1.537 40 0 HDABMO O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000585286157 559121792 /nfs/dbraw/zinc/12/17/92/559121792.db2.gz WJKJSSQHSHHKOM-XUZZJYLKSA-N 1 1 424.545 1.161 40 0 HDABMO CCOC(=O)N1CCC([N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585287785 559123155 /nfs/dbraw/zinc/12/31/55/559123155.db2.gz RONGFEJFMYNBGK-ICSRJNTNSA-N 1 1 414.449 1.762 40 0 HDABMO O=C(COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)cc1)N1CCCC1 ZINC000257251218 559284613 /nfs/dbraw/zinc/28/46/13/559284613.db2.gz JPWZQEZSCDKDDG-PMACEKPBSA-N 1 1 423.504 1.964 40 0 HDABMO O=C(COc1ccc(CN2C[C@H](O)[C@@H]([NH+]3CCC(F)(F)CC3)C2)cc1)N1CCCC1 ZINC000257251218 559284615 /nfs/dbraw/zinc/28/46/15/559284615.db2.gz JPWZQEZSCDKDDG-PMACEKPBSA-N 1 1 423.504 1.964 40 0 HDABMO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3ccccc3F)C2)C1 ZINC000514290255 560030003 /nfs/dbraw/zinc/03/00/03/560030003.db2.gz VVBIZEHSSAGJMU-LEWJYISDSA-N 1 1 409.505 1.900 40 0 biogenic,in-vitro HDABMO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3ccccc3F)C2)C1 ZINC000514290255 560030004 /nfs/dbraw/zinc/03/00/04/560030004.db2.gz VVBIZEHSSAGJMU-LEWJYISDSA-N 1 1 409.505 1.900 40 0 biogenic,in-vitro HDABMO O=C(Cc1ccccc1)N1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@H]1C[C@@H](O)C[N@H+]12 ZINC000514290190 560030344 /nfs/dbraw/zinc/03/03/44/560030344.db2.gz VCRSHIIROFUTQP-FGZHOGPDSA-N 1 1 419.525 1.330 40 0 biogenic,in-vitro HDABMO O=C(Cc1ccccc1)N1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@H]1C[C@@H](O)C[N@@H+]12 ZINC000514290190 560030345 /nfs/dbraw/zinc/03/03/45/560030345.db2.gz VCRSHIIROFUTQP-FGZHOGPDSA-N 1 1 419.525 1.330 40 0 biogenic,in-vitro HDABMO COc1ccc(CN2CC3(C2)CN(C(=O)c2cccnc2)C[C@H]2C[C@@H](O)C[N@H+]23)cc1 ZINC000514289830 560031502 /nfs/dbraw/zinc/03/15/02/560031502.db2.gz PBDREGGGGXFPCL-WOJBJXKFSA-N 1 1 408.502 1.236 40 0 biogenic,in-vitro HDABMO COc1ccc(CN2CC3(C2)CN(C(=O)c2cccnc2)C[C@H]2C[C@@H](O)C[N@@H+]23)cc1 ZINC000514289830 560031503 /nfs/dbraw/zinc/03/15/03/560031503.db2.gz PBDREGGGGXFPCL-WOJBJXKFSA-N 1 1 408.502 1.236 40 0 biogenic,in-vitro HDABMO COCCn1ccc(C(=O)N2CC3(C2)CC[C@H](C[N@@H+](C)Cc2cccnc2)CO3)n1 ZINC000575406008 560547392 /nfs/dbraw/zinc/54/73/92/560547392.db2.gz WOYRNYPXXRKNNN-LJQANCHMSA-N 1 1 413.522 1.678 40 0 HDABMO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(N)=O)c(OC)c1 ZINC000102337293 560731004 /nfs/dbraw/zinc/73/10/04/560731004.db2.gz LGIOKZZBLKYBBP-WTGUMLROSA-N 1 1 419.437 1.705 40 0 HDABMO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(N)=O)c(OC)c1 ZINC000102337293 560731006 /nfs/dbraw/zinc/73/10/06/560731006.db2.gz LGIOKZZBLKYBBP-WTGUMLROSA-N 1 1 419.437 1.705 40 0 HDABMO Cc1cc(=O)n2c(n1)NC(N1CCN(c3ncccn3)CC1)=[NH+][C@H]2[C@@H]1CC=CCC1 ZINC000009289566 560757827 /nfs/dbraw/zinc/75/78/27/560757827.db2.gz JXQUFCSSIBBSGG-SJLPKXTDSA-N 1 1 406.494 1.800 40 0 HDABMO CSc1ccc([C@H]2N=C(N3CC[NH+](CCO)CC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000009289669 560757831 /nfs/dbraw/zinc/75/78/31/560757831.db2.gz NUPFPRBJBZVTIW-SFHVURJKSA-N 1 1 414.535 1.212 40 0 HDABMO Cc1cc(=O)n2c(n1)NC(N1CC[NH+](CCO)CC1)=N[C@@H]2c1ccc(Cl)cc1 ZINC000009289388 560757885 /nfs/dbraw/zinc/75/78/85/560757885.db2.gz VYGOFVZBBZWXIZ-KRWDZBQOSA-N 1 1 402.886 1.143 40 0 HDABMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2c1cc(C)cc2Cl ZINC000016022020 560858054 /nfs/dbraw/zinc/85/80/54/560858054.db2.gz MHUDSBSAPUUZHC-NHLKVAAPSA-N 1 1 405.882 1.548 40 0 HDABMO CC[C@H](C(=O)NCCC[NH+]1CCOCC1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220546150 568506643 /nfs/dbraw/zinc/50/66/43/568506643.db2.gz HRHZFPZAMRDZTG-GOSISDBHSA-N 1 1 411.568 1.687 40 0 HDABMO CC[C@@H](C(=O)NCCC[NH+]1CCOCC1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220624548 568507617 /nfs/dbraw/zinc/50/76/17/568507617.db2.gz ZIRJIBSGNIHKGO-SFHVURJKSA-N 1 1 413.540 1.078 40 0 HDABMO CN(C)S(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000028207313 568595313 /nfs/dbraw/zinc/59/53/13/568595313.db2.gz VZRISHSXRHXASR-UHFFFAOYSA-N 1 1 417.531 1.660 40 0 HDABMO CC[NH+]1CCN(C(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc2OC)CC1 ZINC000225402266 568634412 /nfs/dbraw/zinc/63/44/12/568634412.db2.gz MYGWSCCLDKIMSN-UHFFFAOYSA-N 1 1 409.552 1.576 40 0 HDABMO O=C(NCCC[NH+]1CCOCC1)C(=O)NCCOc1ccc(-c2ccccc2)cc1 ZINC000059417412 568705769 /nfs/dbraw/zinc/70/57/69/568705769.db2.gz XUULIVKWHAUTPP-UHFFFAOYSA-N 1 1 411.502 1.687 40 0 HDABMO Cc1ccsc1C(=O)N1CC[C@@]2(C1)COCc1cnc(N3CC[NH+](C)CC3)nc12 ZINC000248144432 568747655 /nfs/dbraw/zinc/74/76/55/568747655.db2.gz RMFGUQWGZCWLTM-OAQYLSRUSA-N 1 1 413.547 1.912 40 0 HDABMO C[C@@H]1CN(c2ncc3c(n2)[C@]2(CC[N@@H+](Cc4cccnc4N)C2)COC3)C[C@H](C)O1 ZINC000253603056 568755047 /nfs/dbraw/zinc/75/50/47/568755047.db2.gz IOXVYOVSVKPCPV-DMPWYTOCSA-N 1 1 410.522 1.741 40 0 HDABMO C[C@@H]1CN(c2ncc3c(n2)[C@@]2(CC[N@@H+](Cc4ccc(CO)o4)C2)COC3)C[C@H](C)O1 ZINC000253604064 568755091 /nfs/dbraw/zinc/75/50/91/568755091.db2.gz QAGKQZHCTZIBJR-ZMPRRUGASA-N 1 1 414.506 1.849 40 0 HDABMO CN(C(=O)CCc1nc2cc(Cl)ccc2[nH]1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257199956 568776209 /nfs/dbraw/zinc/77/62/09/568776209.db2.gz ABKSIMYHAJPTHZ-MBOZVWFJSA-N 1 1 406.914 1.831 40 0 HDABMO CCN(CC)c1ccc(C(=O)N(C)[C@@H]2CCC[C@@H]([NH+]3CCOCC3)[C@@H]2O)c(O)c1 ZINC000257241527 568787836 /nfs/dbraw/zinc/78/78/36/568787836.db2.gz HYILZSGOUJKKDV-SFHLNBCPSA-N 1 1 405.539 1.925 40 0 HDABMO CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](NC(=O)c3cc(C(C)(C)C)ccc3O)[C@H]2O)CC1 ZINC000257249041 568790103 /nfs/dbraw/zinc/79/01/03/568790103.db2.gz JGKUCOIBYMDQBN-QWFCFKBJSA-N 1 1 403.523 1.476 40 0 HDABMO O=C(CCc1nc2cc(Cl)ccc2[nH]1)N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257268106 568795236 /nfs/dbraw/zinc/79/52/36/568795236.db2.gz MKGHBKNUELERGX-WRWLIDTKSA-N 1 1 406.914 1.879 40 0 HDABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc3[nH]c(C)nc3c2)C1 ZINC000257269521 568795574 /nfs/dbraw/zinc/79/55/74/568795574.db2.gz MQIRUDACFAAZMJ-QFIPXVFZSA-N 1 1 406.490 1.985 40 0 HDABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc3[nH]c(C)nc3c2)C1 ZINC000257269521 568795576 /nfs/dbraw/zinc/79/55/76/568795576.db2.gz MQIRUDACFAAZMJ-QFIPXVFZSA-N 1 1 406.490 1.985 40 0 HDABMO Cc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[N@@H+](C)CCO)cn1 ZINC000257289610 568801164 /nfs/dbraw/zinc/80/11/64/568801164.db2.gz PZKSMQIQZDKJJG-ZRNYENFQSA-N 1 1 403.454 1.132 40 0 HDABMO Cc1ccccc1N1CCC(O)(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C(N)=O)CC1 ZINC000257315731 568808967 /nfs/dbraw/zinc/80/89/67/568808967.db2.gz VCNYJPGRAWCCDE-QHCPKHFHSA-N 1 1 422.573 1.998 40 0 HDABMO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)CC1 ZINC000257337513 568815448 /nfs/dbraw/zinc/81/54/48/568815448.db2.gz YTBHUXFAMDDSBV-OAQYLSRUSA-N 1 1 405.543 1.491 40 0 HDABMO COc1ccc(C[N@H+]2CC[C@]3(C2)Cn2c(nn(C4CCCC4)c(=O)c2=O)CO3)cc1 ZINC000306123840 568887078 /nfs/dbraw/zinc/88/70/78/568887078.db2.gz AYEFGOVENSETJX-QFIPXVFZSA-N 1 1 412.490 1.704 40 0 HDABMO O=S1(=O)NCC2(CC[NH+](Cc3ccsc3)CC2)c2nc(N3CCCC3)ncc21 ZINC000306124749 568887631 /nfs/dbraw/zinc/88/76/31/568887631.db2.gz BYHSTRAMJMKQTA-UHFFFAOYSA-N 1 1 419.576 1.964 40 0 HDABMO Cc1cccc(C[N@H+]2CC[C@@]3(CCn4c3nn(Cc3ccccn3)c(=O)c4=O)C2)n1 ZINC000306126868 568889771 /nfs/dbraw/zinc/88/97/71/568889771.db2.gz FHLJYXITHMKEBY-JOCHJYFZSA-N 1 1 404.474 1.099 40 0 HDABMO C[N@H+]1C[C@H](C(=O)NCCc2ccccc2)OC2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000306127020 568889817 /nfs/dbraw/zinc/88/98/17/568889817.db2.gz FLQPEEDWDYTKHF-HXUWFJFHSA-N 1 1 411.502 1.944 40 0 HDABMO Cc1cccc(C[N@H+]2CC[C@@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)n1 ZINC000306127764 568890810 /nfs/dbraw/zinc/89/08/10/568890810.db2.gz GGWBTSRDTVJCRW-OAQYLSRUSA-N 1 1 409.515 1.766 40 0 HDABMO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@]1(CC[N@@H+](Cc3ccccn3)C1)C2 ZINC000306133052 568895159 /nfs/dbraw/zinc/89/51/59/568895159.db2.gz MAGLXIXVGYCTFD-JOCHJYFZSA-N 1 1 407.449 1.436 40 0 HDABMO COc1ccc(C[N@H+]2CC[C@@]3(C2)Cn2c(nn(CC(C)C)c(=O)c2=O)CO3)cc1 ZINC000306136682 568898377 /nfs/dbraw/zinc/89/83/77/568898377.db2.gz QADXAFQNHMIMCO-OAQYLSRUSA-N 1 1 400.479 1.245 40 0 HDABMO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@@]1(CC[N@@H+](Cc3ccncc3)C1)C2 ZINC000306137119 568899027 /nfs/dbraw/zinc/89/90/27/568899027.db2.gz QLZLAJWZGKCDBH-JOCHJYFZSA-N 1 1 411.506 1.555 40 0 HDABMO Cn1cc(C[N@H+]2CC[C@]3(C2)Cn2c(nnc2C(=O)NC2CCCCC2)CN3C)cn1 ZINC000306137191 568899140 /nfs/dbraw/zinc/89/91/40/568899140.db2.gz QOGDYMORKQCZRL-NRFANRHFSA-N 1 1 412.542 1.164 40 0 HDABMO Cc1ccnc(C(=O)N2CCc3nc4n(c(=O)c3C2)CC[C@@]42CC[N@@H+](CC3CC3)C2)c1 ZINC000306137832 568899542 /nfs/dbraw/zinc/89/95/42/568899542.db2.gz RHRIZDCQDWRGAG-XMMPIXPASA-N 1 1 419.529 1.902 40 0 HDABMO COc1cccc(C[N@H+]2CC[C@]3(C2)Cn2c(nn(C4CCCC4)c(=O)c2=O)CO3)c1 ZINC000306141262 568902849 /nfs/dbraw/zinc/90/28/49/568902849.db2.gz VQEYLVOHKZGDAR-QFIPXVFZSA-N 1 1 412.490 1.704 40 0 HDABMO COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CC[N@@H+](Cc4ccoc4)C2)C3)cc1 ZINC000306142302 568904069 /nfs/dbraw/zinc/90/40/69/568904069.db2.gz WVQPHKQFDMERMA-QFIPXVFZSA-N 1 1 408.458 1.503 40 0 HDABMO O=C([N-][C@@H]1CS(=O)(=O)C[C@H]1NCc1cccc(F)c1)C(Cl)(Cl)Cl ZINC000575421886 569026030 /nfs/dbraw/zinc/02/60/30/569026030.db2.gz SPYWMNHQTAKZCK-GHMZBOCLSA-N 1 1 403.690 1.567 40 0 HDABMO COC(=O)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC000054360969 569072263 /nfs/dbraw/zinc/07/22/63/569072263.db2.gz RZLPWZLUBRWHBE-PTNGSMBKSA-N 1 1 403.460 1.284 40 0 HDABMO