smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)CN3CCOCC3)C2)n1 ZINC000072378978 205523816 /nfs/dbraw/zinc/52/38/16/205523816.db2.gz DQZYXKCATAJSQU-QGZVFWFLSA-N 1 1 369.469 1.614 40 0 FDABMO CCN1C[C@@]2(CC1=O)CN(C(=O)C(C)C)CC[N@H+](Cc1ccccn1)C2 ZINC000096036179 205804472 /nfs/dbraw/zinc/80/44/72/205804472.db2.gz KZTMENKLUMTJFE-FQEVSTJZSA-N 1 1 358.486 1.620 40 0 FDABMO CCN1C[C@@]2(CC1=O)CN(C(=O)C(C)C)CC[N@@H+](Cc1ccccn1)C2 ZINC000096036179 205804473 /nfs/dbraw/zinc/80/44/73/205804473.db2.gz KZTMENKLUMTJFE-FQEVSTJZSA-N 1 1 358.486 1.620 40 0 FDABMO CC(C)[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCC(C(N)=O)CC1 ZINC000004875336 206184346 /nfs/dbraw/zinc/18/43/46/206184346.db2.gz BSDNCQDSNWIWDM-QGZVFWFLSA-N 1 1 356.474 1.810 40 0 FDABMO CC(=O)N1CCC([N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000015674897 206315857 /nfs/dbraw/zinc/31/58/57/206315857.db2.gz BUOBUZOVDWRSLU-SJORKVTESA-N 1 1 374.416 1.994 40 0 biogenic,in-vitro FDABMO CC(=O)N1CCC([N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000015674897 206315862 /nfs/dbraw/zinc/31/58/62/206315862.db2.gz BUOBUZOVDWRSLU-SJORKVTESA-N 1 1 374.416 1.994 40 0 biogenic,in-vitro FDABMO COc1ccc([C@@H](c2nnnn2Cc2ccco2)N2CC[NH+](C)CC2)cc1 ZINC000020141603 206330803 /nfs/dbraw/zinc/33/08/03/206330803.db2.gz SFYLFUCHEMKWIH-SFHVURJKSA-N 1 1 368.441 1.660 40 0 FDABMO CCOc1cc(CNCC[NH+](C)C)cc(Br)c1OCC(N)=O ZINC000022075606 263384895 /nfs/dbraw/zinc/38/48/95/263384895.db2.gz OMEOTLJGAIWVHT-UHFFFAOYSA-N 1 1 374.279 1.363 40 0 FDABMO CC(=O)NCCn1nc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2nccnc21 ZINC000019021581 518800776 /nfs/dbraw/zinc/80/07/76/518800776.db2.gz RWIQFQHSGSLFJM-QGZVFWFLSA-N 1 1 364.453 1.952 40 0 FDABMO Cn1cncc1C[N@H+]1CCC[C@H](c2cc(=O)[nH]c(N3CCCCC3)n2)C1 ZINC000019291829 518805997 /nfs/dbraw/zinc/80/59/97/518805997.db2.gz NLBNPTDKKSDHMK-HNNXBMFYSA-N 1 1 356.474 1.873 40 0 FDABMO COC(=O)[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@]12CCc1ccccc1C2=O)C(C)C ZINC000019445273 518811566 /nfs/dbraw/zinc/81/15/66/518811566.db2.gz NZOYZBFGZLDSBD-LZJOCLMNSA-N 1 1 372.465 1.677 40 0 FDABMO COc1cc(OC)c(OC)cc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CCO ZINC000019594954 518820125 /nfs/dbraw/zinc/82/01/25/518820125.db2.gz ZTLMWGQWBUTICD-HOTGVXAUSA-N 1 1 350.459 1.743 40 0 FDABMO C[NH+]1CCN(CC(=O)N[C@H](Cc2cccs2)c2nccs2)CC1 ZINC000019589988 518820815 /nfs/dbraw/zinc/82/08/15/518820815.db2.gz XVTXVGYJAJJFKR-CQSZACIVSA-N 1 1 350.513 1.852 40 0 FDABMO CC(=O)N1CCC(N(C)Cc2cc(N(C)C)nc([C@@H]3CCC[NH2+]3)n2)CC1 ZINC000019760264 518835957 /nfs/dbraw/zinc/83/59/57/518835957.db2.gz FGYZNXMVPNTLKX-KRWDZBQOSA-N 1 1 360.506 1.410 40 0 FDABMO CCN(CC)C(=O)CN(C)Cc1cc(N(C)C)nc([C@H]2CCC[N@@H+]2C)n1 ZINC000019760139 518835974 /nfs/dbraw/zinc/83/59/74/518835974.db2.gz PGUCKXOKVRQWLG-MRXNPFEDSA-N 1 1 362.522 1.610 40 0 FDABMO CCN(CC)C(=O)CN(C)Cc1cc(N(C)C)nc([C@H]2CCC[N@H+]2C)n1 ZINC000019760139 518835978 /nfs/dbraw/zinc/83/59/78/518835978.db2.gz PGUCKXOKVRQWLG-MRXNPFEDSA-N 1 1 362.522 1.610 40 0 FDABMO CC[C@H]1CCCC[N@H+]1CCn1c(C)cn2c1nc1c2c(=O)[nH]c(=O)n1C ZINC000023989831 518972711 /nfs/dbraw/zinc/97/27/11/518972711.db2.gz CBOGKWKKQVZJNP-ZDUSSCGKSA-N 1 1 358.446 1.249 40 0 FDABMO CC(C)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[C@H]1CCCO1 ZINC000035877049 519611811 /nfs/dbraw/zinc/61/18/11/519611811.db2.gz XEPMBUIGQIHSGV-CEXWTWQISA-N 1 1 373.497 1.527 40 0 FDABMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000059320009 522335956 /nfs/dbraw/zinc/33/59/56/522335956.db2.gz FMXGHKLNASYUMF-LLVKDONJSA-N 1 1 350.385 1.181 40 0 FDABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000073742962 522599447 /nfs/dbraw/zinc/59/94/47/522599447.db2.gz PXGPEFAIBSIUOU-CYBMUJFWSA-N 1 1 354.248 1.988 40 0 FDABMO CC[NH+]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000068191741 523725715 /nfs/dbraw/zinc/72/57/15/523725715.db2.gz SWWSWLWLYZUWEH-GFCCVEGCSA-N 1 1 359.879 1.171 40 0 FDABMO Cc1ccc(C[N@@H+]2CCN(C(=O)N(C)C)C[C@]3(CNC(=O)C3)C2)s1 ZINC000096035971 525122282 /nfs/dbraw/zinc/12/22/82/525122282.db2.gz XZYZIYSVCFLZJT-QGZVFWFLSA-N 1 1 350.488 1.362 40 0 FDABMO O=C([C@@H]1C[N@@H+](Cc2cccs2)CC12CCOCC2)N1CCOCC1 ZINC000096052206 525127053 /nfs/dbraw/zinc/12/70/53/525127053.db2.gz FXDAQKOORFIHHI-INIZCTEOSA-N 1 1 350.484 1.836 40 0 FDABMO O=C1CO[C@@]2(CN1c1ccoc1)COCC[N@@H+](CC1CCOCC1)C2 ZINC000096051413 525127756 /nfs/dbraw/zinc/12/77/56/525127756.db2.gz JICMWPPYUVPPII-SFHVURJKSA-N 1 1 350.415 1.140 40 0 FDABMO C[N@H+](Cc1ccco1)C[C@H]1CC[C@@]2(COCCN(c3ncccn3)C2)O1 ZINC000096100465 525131994 /nfs/dbraw/zinc/13/19/94/525131994.db2.gz RUROKPCKXOUDDN-IEBWSBKVSA-N 1 1 358.442 1.956 40 0 FDABMO COC[C@H]1CC2(C[N@H+]1C)CCN(S(=O)(=O)c1cccc(F)c1)CC2 ZINC000096207527 525149943 /nfs/dbraw/zinc/14/99/43/525149943.db2.gz PULPSSQCJJCXIX-OAHLLOKOSA-N 1 1 356.463 1.947 40 0 FDABMO O=S(=O)(N[C@@H]1CCO[C@]2(CC[N@@H+](CC3CC3)C2)C1)c1ccccc1 ZINC000096206581 525150437 /nfs/dbraw/zinc/15/04/37/525150437.db2.gz WZGOIMKIUKUUIZ-SJLPKXTDSA-N 1 1 350.484 1.998 40 0 FDABMO Cn1cc(CN2CC[C@]3(C2)C[N@@H+](C)C[C@H]3COCc2cccnc2)cn1 ZINC000096218548 525152467 /nfs/dbraw/zinc/15/24/67/525152467.db2.gz ROAPJOTZEJVATH-VQTJNVASSA-N 1 1 355.486 1.786 40 0 FDABMO CO[C@@H]1CCN(C(=O)c2ccncn2)[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000096216234 525152685 /nfs/dbraw/zinc/15/26/85/525152685.db2.gz HGWZOUOININVLX-CGTJXYLNSA-N 1 1 353.426 1.233 40 0 FDABMO Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCC[N@H+](Cc2ccccn2)C3)nn1 ZINC000096240537 525155161 /nfs/dbraw/zinc/15/51/61/525155161.db2.gz OIAIDMYPZZHZKF-FXAWDEMLSA-N 1 1 369.469 1.900 40 0 FDABMO Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCC[N@@H+](Cc2ccccn2)C3)nn1 ZINC000096240537 525155168 /nfs/dbraw/zinc/15/51/68/525155168.db2.gz OIAIDMYPZZHZKF-FXAWDEMLSA-N 1 1 369.469 1.900 40 0 FDABMO CCN1C[C@]2(CC1=O)CN(C(=O)N(C)C)CC[N@H+](Cc1ccccn1)C2 ZINC000097952803 525196691 /nfs/dbraw/zinc/19/66/91/525196691.db2.gz OYEZREYIVAUQLI-LJQANCHMSA-N 1 1 359.474 1.119 40 0 FDABMO CCN1C[C@]2(CC1=O)CN(C(=O)N(C)C)CC[N@@H+](Cc1ccccn1)C2 ZINC000097952803 525196699 /nfs/dbraw/zinc/19/66/99/525196699.db2.gz OYEZREYIVAUQLI-LJQANCHMSA-N 1 1 359.474 1.119 40 0 FDABMO O=C(NCCc1cccs1)[C@@H]1C[N@@H+](C2CCOCC2)Cc2cncn21 ZINC000247492148 537125070 /nfs/dbraw/zinc/12/50/70/537125070.db2.gz MWGOKZSAAYBUKF-KRWDZBQOSA-N 1 1 360.483 1.839 40 0 FDABMO O=C(NCCc1cccs1)[C@@H]1C[N@H+](C2CCOCC2)Cc2cncn21 ZINC000247492148 537125073 /nfs/dbraw/zinc/12/50/73/537125073.db2.gz MWGOKZSAAYBUKF-KRWDZBQOSA-N 1 1 360.483 1.839 40 0 FDABMO CN(C)C(=O)C[N@H+]1C[C@@H]2CN([C@H]3CCOC3)CC[C@@]2(c2ccccc2)C1 ZINC000248030578 537163476 /nfs/dbraw/zinc/16/34/76/537163476.db2.gz TVENHBIRKTWDRL-DYXWJJEUSA-N 1 1 357.498 1.439 40 0 FDABMO COc1ccc(C[N@H+]2C[C@H]3OC[C@H](CNC(=O)c4ccncc4)[C@H]3C2)cc1 ZINC000306124139 537600551 /nfs/dbraw/zinc/60/05/51/537600551.db2.gz BHGLMPOMLWSNRN-DFQSSKMNSA-N 1 1 367.449 1.967 40 0 FDABMO Cc1ncsc1C[N@H+]1C[C@H]2OC[C@@H](CNC(=O)c3ccncc3)[C@H]2C1 ZINC000306127317 537603058 /nfs/dbraw/zinc/60/30/58/537603058.db2.gz FVIBWSMRUQIWLJ-BZUAXINKSA-N 1 1 358.467 1.723 40 0 FDABMO O=S1(=O)C[C@H](O)[C@@H]([NH2+]CCNC(c2ccccc2)c2ccccc2)C1 ZINC000575420419 550461863 /nfs/dbraw/zinc/46/18/63/550461863.db2.gz HSHNKSCGNSDQAO-ROUUACIJSA-N 1 1 360.479 1.113 40 0 FDABMO Cc1cc(C[N@H+]2CCC[C@]3(CN(c4ccc(=O)n(C)c4)C3=O)C2)n(C)n1 ZINC000585099628 551570629 /nfs/dbraw/zinc/57/06/29/551570629.db2.gz SPAYKORWGIJUEC-LJQANCHMSA-N 1 1 355.442 1.056 40 0 FDABMO CN(C)CC[N@@H+]1CCOCC2(CCN(C(=O)c3ccnc(F)c3)CC2)C1 ZINC000585102432 551571214 /nfs/dbraw/zinc/57/12/14/551571214.db2.gz HYMYJNAVPHEAKA-UHFFFAOYSA-N 1 1 364.465 1.337 40 0 FDABMO CN(C)CC[N@H+]1CCOCC2(CCN(C(=O)c3ccnc(F)c3)CC2)C1 ZINC000585102432 551571216 /nfs/dbraw/zinc/57/12/16/551571216.db2.gz HYMYJNAVPHEAKA-UHFFFAOYSA-N 1 1 364.465 1.337 40 0 FDABMO COC[C@@H]1C[N@H+](Cc2cccs2)CC12CCN(C(=O)CN(C)C)CC2 ZINC000585102900 551571441 /nfs/dbraw/zinc/57/14/41/551571441.db2.gz HHSOBXCCIIRKBA-INIZCTEOSA-N 1 1 365.543 1.997 40 0 FDABMO COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CCN(C(=O)CN(C)C)CC2 ZINC000585102900 551571443 /nfs/dbraw/zinc/57/14/43/551571443.db2.gz HHSOBXCCIIRKBA-INIZCTEOSA-N 1 1 365.543 1.997 40 0 FDABMO O=C(CC[NH+]1CCOCC1)N1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 ZINC000585280226 551578045 /nfs/dbraw/zinc/57/80/45/551578045.db2.gz DCESZZSBYUEANT-AEFFLSMTSA-N 1 1 350.434 1.300 40 0 FDABMO CCOc1ccc(C[N@@H+]2C[C@H](OC)[C@@H](CC(=O)N(C)C)C2)cc1CO ZINC000585278673 551578403 /nfs/dbraw/zinc/57/84/03/551578403.db2.gz QGNXKYFQJVDXSJ-YJBOKZPZSA-N 1 1 350.459 1.503 40 0 FDABMO O[C@H]1CC[N@@H+](CC2(O)CCCC2)C[C@]1(O)COc1ccc(Cl)c(F)c1 ZINC000585287642 551579425 /nfs/dbraw/zinc/57/94/25/551579425.db2.gz PXAIQPYKKSVWJS-WMZOPIPTSA-N 1 1 373.852 1.961 40 0 FDABMO COc1cccc(N2CCC(O)(C[N@H+]3CCC[C@@](C)(C(N)=O)C3)CC2)c1 ZINC000585285146 551579485 /nfs/dbraw/zinc/57/94/85/551579485.db2.gz WFKLEOUMEQEXES-LJQANCHMSA-N 1 1 361.486 1.614 40 0 FDABMO COc1cc(C[N@H+](C)[C@@H]2COC[C@@H](OC)[C@H]2O)cc2c1OCCCO2 ZINC000585291982 551580367 /nfs/dbraw/zinc/58/03/67/551580367.db2.gz UQTQRLPXVNDCQK-XYPHTWIQSA-N 1 1 353.415 1.063 40 0 FDABMO CCCC[N@H+](C)C[C@@H]1OC[C@H](NCc2ccc(S(C)(=O)=O)cc2)[C@H]1O ZINC000514288579 560034542 /nfs/dbraw/zinc/03/45/42/560034542.db2.gz IKIWXZZWYDPBHX-OKZBNKHCSA-N 1 1 370.515 1.040 40 0 biogenic,in-vitro FDABMO CCCC[N@@H+](C)C[C@@H]1OC[C@H](NCc2ccc(S(C)(=O)=O)cc2)[C@H]1O ZINC000514288579 560034543 /nfs/dbraw/zinc/03/45/43/560034543.db2.gz IKIWXZZWYDPBHX-OKZBNKHCSA-N 1 1 370.515 1.040 40 0 biogenic,in-vitro FDABMO Cc1ccsc1C[N@H+]1C[C@@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@@H]2C1 ZINC000306137465 571040298 /nfs/dbraw/zinc/04/02/98/571040298.db2.gz QXDNBBRDULSXFE-HUUCEWRRSA-N 1 1 372.494 1.804 40 0 FDABMO COc1ccccc1C[N@H+]1C[C@H]2OC[C@@H](CNC(=O)c3cnccn3)[C@H]2C1 ZINC000306137860 571040908 /nfs/dbraw/zinc/04/09/08/571040908.db2.gz RIKDIRPUHQMRSO-GPMSIDNRSA-N 1 1 368.437 1.362 40 0 FDABMO COc1ccc(C[N@H+]2C[C@H]3OC[C@H](CNC(=O)c4cnccn4)[C@H]3C2)cc1 ZINC000306141516 571042012 /nfs/dbraw/zinc/04/20/12/571042012.db2.gz VYVDCELSCILZPL-KVSKMBFKSA-N 1 1 368.437 1.362 40 0 FDABMO Cn1cc(C[N@@H+]2CC[C@H](O)[C@]3(CN(C)C(=O)N3c3ccccc3)C2)cn1 ZINC000257199938 571149002 /nfs/dbraw/zinc/14/90/02/571149002.db2.gz ABIOJCPYWAQZPA-HKUYNNGSSA-N 1 1 355.442 1.298 40 0 FDABMO Cn1cc(C[N@H+]2CC[C@H](O)[C@]3(CN(C)C(=O)N3c3ccccc3)C2)cn1 ZINC000257199938 571149005 /nfs/dbraw/zinc/14/90/05/571149005.db2.gz ABIOJCPYWAQZPA-HKUYNNGSSA-N 1 1 355.442 1.298 40 0 FDABMO O=C(Cc1ccc(F)c(Cl)c1)N[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257222951 571151911 /nfs/dbraw/zinc/15/19/11/571151911.db2.gz DVGTZXTUAKEXPN-BFYDXBDKSA-N 1 1 356.825 1.362 40 0 FDABMO COCC[N@H+]1CC[C@@]2(NC(C)=O)CN(C(C)=O)[C@H](c3ccccc3)[C@H]2C1 ZINC000257254733 571154786 /nfs/dbraw/zinc/15/47/86/571154786.db2.gz KEKSSNGVOJZWAL-VAMGGRTRSA-N 1 1 359.470 1.433 40 0 FDABMO Cc1ncc(CNC(=O)CN2CCCCCC2=O)c([C@H]2CCC[N@@H+]2C)n1 ZINC000257264170 571155639 /nfs/dbraw/zinc/15/56/39/571155639.db2.gz LTFBTTOMZJGQGM-MRXNPFEDSA-N 1 1 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ZINC000096058869 525129068 /nfs/dbraw/zinc/12/90/68/525129068.db2.gz MZDHZQZEIUOGQY-UHFFFAOYSA-N 1 1 359.474 1.423 40 0 FDABMO CC(=O)N1CCC([N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)CC1 ZINC000096112138 525133887 /nfs/dbraw/zinc/13/38/87/525133887.db2.gz IVGODFPHRJETTM-ZBFHGGJFSA-N 1 1 361.421 1.508 40 0 biogenic,in-vitro FDABMO CC(=O)N1CCC([N@H+]2C[C@@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)CC1 ZINC000096112138 525133895 /nfs/dbraw/zinc/13/38/95/525133895.db2.gz IVGODFPHRJETTM-ZBFHGGJFSA-N 1 1 361.421 1.508 40 0 biogenic,in-vitro FDABMO O=C(NCc1ccccn1)[C@]12COC[C@H]1C[N@H+](Cc1ccccc1F)C2 ZINC000096110098 525135504 /nfs/dbraw/zinc/13/55/04/525135504.db2.gz UNPJVPPNFNOBII-OXQOHEQNSA-N 1 1 355.413 1.986 40 0 FDABMO O=C(COC[C@]12COC[C@H]1C[N@H+](Cc1nccs1)C2)N1CCCC1 ZINC000096108805 525135701 /nfs/dbraw/zinc/13/57/01/525135701.db2.gz AMOWCQAHDBCRRW-PBHICJAKSA-N 1 1 351.472 1.231 40 0 FDABMO O=C(COC[C@]12COC[C@H]1C[N@@H+](Cc1nccs1)C2)N1CCCC1 ZINC000096108805 525135707 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1.805 40 0 FDABMO Cc1nc(CN2CC[C@]3(CCC[N@H+](CC(=O)N(C)C)C3)C2=O)cs1 ZINC000096224362 525152605 /nfs/dbraw/zinc/15/26/05/525152605.db2.gz PGGLLTKPPLHWOR-KRWDZBQOSA-N 1 1 350.488 1.354 40 0 FDABMO C[N@H+]1C[C@H](COCc2ccccn2)[C@]2(CCN(c3ncc(F)cn3)C2)C1 ZINC000096220190 525152910 /nfs/dbraw/zinc/15/29/10/525152910.db2.gz OKYZZYCNVHLANJ-DNVCBOLYSA-N 1 1 357.433 1.986 40 0 FDABMO CO[C@H]1CCN(C(=O)c2cccn2C)[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000096217928 525153076 /nfs/dbraw/zinc/15/30/76/525153076.db2.gz JJJFXTWDWXBCQN-UHOSZYNNSA-N 1 1 354.454 1.782 40 0 FDABMO COCCN1C(C)=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4c(C)noc4C)C[C@@H]32)C1=O ZINC000096261496 525156292 /nfs/dbraw/zinc/15/62/92/525156292.db2.gz KGXRRHKKWDVRAU-HHXXYDBFSA-N 1 1 360.458 1.779 40 0 FDABMO C[N@H+](Cc1ccccc1)[C@@H]1[C@@H](CNCc2ccc(F)cc2)O[C@@H](CO)[C@H]1O ZINC000096482534 525161578 /nfs/dbraw/zinc/16/15/78/525161578.db2.gz OYTNJOYCFVAJEH-PLACYPQZSA-N 1 1 374.456 1.537 40 0 biogenic,in-vitro FDABMO 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1 355.446 1.586 40 0 FDABMO O=C(CN1CCCC1)N1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257267057 571156074 /nfs/dbraw/zinc/15/60/74/571156074.db2.gz MFTZQCDTISZUMG-FPOVZHCZSA-N 1 1 357.498 1.710 40 0 FDABMO O=C(CN1CCCC1)N1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257267057 571156077 /nfs/dbraw/zinc/15/60/77/571156077.db2.gz MFTZQCDTISZUMG-FPOVZHCZSA-N 1 1 357.498 1.710 40 0 FDABMO CNC(=O)[C@H]1C[N@H+](CCc2ccccc2)CCN1C(=O)c1cccnc1 ZINC000257275964 571157313 /nfs/dbraw/zinc/15/73/13/571157313.db2.gz NRTMSQYMWFMGSO-GOSISDBHSA-N 1 1 352.438 1.197 40 0 FDABMO CNC(=O)[C@H]1C[N@@H+](CCc2ccccc2)CCN1C(=O)c1cccnc1 ZINC000257275964 571157316 /nfs/dbraw/zinc/15/73/16/571157316.db2.gz NRTMSQYMWFMGSO-GOSISDBHSA-N 1 1 352.438 1.197 40 0 FDABMO O=C(c1cnccn1)N1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257280535 571157576 /nfs/dbraw/zinc/15/75/76/571157576.db2.gz OLGNGXLRJOWYSJ-ICSRJNTNSA-N 1 1 352.438 1.718 40 0 FDABMO C[NH+]1CCN(C[C@@]2(O)CCN(C(=O)c3ccc4c(c3)CCCC4)C2)CC1 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Cn1cc(C[N@H+]2Cc3ccnn3C[C@H](COCc3ccccn3)C2)cn1 ZINC000096059243 209104709 /nfs/dbraw/zinc/10/47/09/209104709.db2.gz LUGHMCAWUOBXNA-QGZVFWFLSA-N 1 1 352.442 1.860 40 0 FDABMO Cn1cc(C[N@@H+]2Cc3ccnn3C[C@H](COCc3ccccn3)C2)cn1 ZINC000096059243 209104713 /nfs/dbraw/zinc/10/47/13/209104713.db2.gz LUGHMCAWUOBXNA-QGZVFWFLSA-N 1 1 352.442 1.860 40 0 FDABMO COCCNC(=O)C[C@@H]1COC[C@H]2C[N@@H+](Cc3c(C)noc3C)C[C@H]21 ZINC000096057194 209104388 /nfs/dbraw/zinc/10/43/88/209104388.db2.gz DJUUSOOKSDAUQD-INMHGKMJSA-N 1 1 351.447 1.139 40 0 FDABMO Cn1cc(C[N@@H+]2CC[C@H]3C[C@H](C(=O)NCc4cccnc4)O[C@H]3C2)cn1 ZINC000096043246 209100817 /nfs/dbraw/zinc/10/08/17/209100817.db2.gz RTCPNKAOAQGAMS-KSZLIROESA-N 1 1 355.442 1.111 40 0 FDABMO Cn1cc(C[N@H+]2CC[C@H]3C[C@H](C(=O)NCc4cccnc4)O[C@H]3C2)cn1 ZINC000096043246 209100821 /nfs/dbraw/zinc/10/08/21/209100821.db2.gz RTCPNKAOAQGAMS-KSZLIROESA-N 1 1 355.442 1.111 40 0 FDABMO CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000096230450 132223123 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1.279 40 0 FDABMO CCOc1ccc(N(CC(=O)N2CC[NH+](CC)CC2)S(C)(=O)=O)cc1 ZINC000019527842 518815865 /nfs/dbraw/zinc/81/58/65/518815865.db2.gz HEXCKTUETSIVDQ-UHFFFAOYSA-N 1 1 369.487 1.015 40 0 FDABMO Cc1c(C[NH+]2CCN(C[C@H]3CCCO3)CC2)c2ccccc2n1CC(N)=O ZINC000019581869 518819047 /nfs/dbraw/zinc/81/90/47/518819047.db2.gz XYCYDFQENGFJPE-QGZVFWFLSA-N 1 1 370.497 1.732 40 0 FDABMO C[C@H](C(=O)N1CCC(c2cc(C[NH+](C)C)n(C)n2)CC1)N1CCCC1=O ZINC000019710183 518827849 /nfs/dbraw/zinc/82/78/49/518827849.db2.gz QRHKYWVJUXHFOB-CQSZACIVSA-N 1 1 361.490 1.199 40 0 FDABMO Cc1cc(N)n(-c2ccc(C(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3)cc2)n1 ZINC000019717861 518829494 /nfs/dbraw/zinc/82/94/94/518829494.db2.gz IJAJEKDXMZOSOL-SFHVURJKSA-N 1 1 371.485 1.850 40 0 FDABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1CCN2C(=O)Cn1nc(C(F)(F)F)nc1N ZINC000019712508 518830605 /nfs/dbraw/zinc/83/06/05/518830605.db2.gz PUCYEXZAGNMUOV-WDEREUQCSA-N 1 1 360.384 1.354 40 0 FDABMO Cc1ccc([C@@H](c2nnnn2Cc2ccco2)N2CC[NH+](C)CC2)cc1 ZINC000020141562 518844425 /nfs/dbraw/zinc/84/44/25/518844425.db2.gz WVPCKKPGMIBUOB-SFHVURJKSA-N 1 1 352.442 1.960 40 0 FDABMO COC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ccc(F)cc2)[N@H+]1C ZINC000022922487 518922246 /nfs/dbraw/zinc/92/22/46/518922246.db2.gz NTMLLGDVOMOKMH-JZXOWHBKSA-N 1 1 363.433 1.152 40 0 biogenic,in-vitro FDABMO c1ccc2c(c1)OC[C@@H](C[NH2+]CCNC[C@H]1COc3ccccc3O1)O2 ZINC000023478543 518953843 /nfs/dbraw/zinc/95/38/43/518953843.db2.gz ZCQSZDBAOLKWID-IYBDPMFKSA-N 1 1 356.422 1.846 40 0 FDABMO Cc1nccn1C[C@@]1(O)CN(C(=O)CCc2ccc(F)cc2)CC[N@H+](C)C1 ZINC000072354531 522221545 /nfs/dbraw/zinc/22/15/45/522221545.db2.gz FOGQHEVHIIYYNZ-HXUWFJFHSA-N 1 1 374.460 1.469 40 0 FDABMO C[N@H+]1CCn2c(nnc2C2CCN(C(=O)c3cc(C4CC4)on3)CC2)C1 ZINC000072372080 522226754 /nfs/dbraw/zinc/22/67/54/522226754.db2.gz SKTOEYYMCAIYJX-UHFFFAOYSA-N 1 1 356.430 1.609 40 0 FDABMO CNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000096112996 525135448 /nfs/dbraw/zinc/13/54/48/525135448.db2.gz NQZCZYREJXQXMT-DLBZAZTESA-N 1 1 352.523 1.166 40 0 biogenic,in-vitro FDABMO O=C(C[C@@H]1C[N@@H+](C2CCOCC2)Cc2ccnn21)NCc1cccnc1 ZINC000247852225 537153926 /nfs/dbraw/zinc/15/39/26/537153926.db2.gz JCKUFTFMLLFHHY-GOSISDBHSA-N 1 1 355.442 1.520 40 0 FDABMO O=C(C[C@@H]1C[N@H+](C2CCOCC2)Cc2ccnn21)NCc1cccnc1 ZINC000247852225 537153929 /nfs/dbraw/zinc/15/39/29/537153929.db2.gz JCKUFTFMLLFHHY-GOSISDBHSA-N 1 1 355.442 1.520 40 0 FDABMO C[N@@H+]1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)COC[C@H]1CCCO1)C2 ZINC000248107170 537166797 /nfs/dbraw/zinc/16/67/97/537166797.db2.gz GBGBTDLPZNTFDM-WBVHZDCISA-N 1 1 360.458 1.324 40 0 FDABMO C[N@H+]1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)COC[C@H]1CCCO1)C2 ZINC000248107170 537166798 /nfs/dbraw/zinc/16/67/98/537166798.db2.gz GBGBTDLPZNTFDM-WBVHZDCISA-N 1 1 360.458 1.324 40 0 FDABMO Cn1ccc(C(=O)N2CC3(C2)CC[C@H](C[N@@H+](C)Cc2ccco2)CO3)n1 ZINC000248123969 537167201 /nfs/dbraw/zinc/16/72/01/537167201.db2.gz NZZDPAXCUHFSRI-OAHLLOKOSA-N 1 1 358.442 1.766 40 0 FDABMO Cc1ccc(S(=O)(=O)N2CC3(C2)C[C@H](CO)C[N@H+]3CC2CC2)cc1 ZINC000585093946 551568207 /nfs/dbraw/zinc/56/82/07/551568207.db2.gz RRDHLQFBPULIMG-INIZCTEOSA-N 1 1 350.484 1.462 40 0 FDABMO CS(=O)(=O)NCC[C@@H]1Cn2cccc2C[N@@H+](CC2CCOCC2)C1 ZINC000585095505 551568761 /nfs/dbraw/zinc/56/87/61/551568761.db2.gz UMXIHOGYUHPWEN-INIZCTEOSA-N 1 1 355.504 1.286 40 0 FDABMO Cc1cc(C[N@H+]2CCn3c(COc4cccnc4)nnc3C[C@@H]2C)[nH]n1 ZINC000585097572 551569735 /nfs/dbraw/zinc/56/97/35/551569735.db2.gz MCCDHWJPGSZYER-AWEZNQCLSA-N 1 1 353.430 1.730 40 0 FDABMO Cc1cc(C[N@@H+]2CCn3c(COc4cccnc4)nnc3C[C@@H]2C)[nH]n1 ZINC000585097572 551569737 /nfs/dbraw/zinc/56/97/37/551569737.db2.gz MCCDHWJPGSZYER-AWEZNQCLSA-N 1 1 353.430 1.730 40 0 FDABMO O=C(c1ccc(N2CCCC2)cc1)N1CC[C@@](O)(C[NH+]2CCOCC2)C1 ZINC000585182347 551575892 /nfs/dbraw/zinc/57/58/92/551575892.db2.gz BOVBLNSEEIGSOH-HXUWFJFHSA-N 1 1 359.470 1.196 40 0 FDABMO CO[C@@H]1CC[N@H+](CC(=O)Nc2nonc2C)C[C@H]1Cc1ccc(C)cc1 ZINC000585276494 551577402 /nfs/dbraw/zinc/57/74/02/551577402.db2.gz MDFOSQQPONOQEU-IAGOWNOFSA-N 1 1 358.442 2.205 40 0 FDABMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2nonc2C)C[C@H]1Cc1ccc(C)cc1 ZINC000585276494 551577403 /nfs/dbraw/zinc/57/74/03/551577403.db2.gz MDFOSQQPONOQEU-IAGOWNOFSA-N 1 1 358.442 2.205 40 0 FDABMO C[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C(=O)NCCc2cnccn2)[C@@H]1O ZINC000585280848 551578137 /nfs/dbraw/zinc/57/81/37/551578137.db2.gz QCNYJFAQJISJRD-QRVBRYPASA-N 1 1 354.454 1.407 40 0 FDABMO CC(=O)N1CCC(O)(C[N@H+]2CCCC[C@@H]3CN(C(C)=O)CC[C@@H]32)CC1 ZINC000585282930 551578519 /nfs/dbraw/zinc/57/85/19/551578519.db2.gz BVWWPTAODRBLJS-MSOLQXFVSA-N 1 1 351.491 1.083 40 0 FDABMO O[C@@H]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC3(CN(Cc4ccccn4)C3)N2C1 ZINC000514290151 560030264 /nfs/dbraw/zinc/03/02/64/560030264.db2.gz UOAUXLAXILLJDA-NHCUHLMSSA-N 1 1 364.493 1.587 40 0 biogenic,in-vitro FDABMO O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(CN(Cc4ccccn4)C3)[N@@H+]2C1 ZINC000514290151 560030266 /nfs/dbraw/zinc/03/02/66/560030266.db2.gz UOAUXLAXILLJDA-NHCUHLMSSA-N 1 1 364.493 1.587 40 0 biogenic,in-vitro FDABMO O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(CN(Cc4ccccn4)C3)[N@H+]2C1 ZINC000514290151 560030268 /nfs/dbraw/zinc/03/02/68/560030268.db2.gz UOAUXLAXILLJDA-NHCUHLMSSA-N 1 1 364.493 1.587 40 0 biogenic,in-vitro FDABMO C[N@H+]1CC[C@H](COCc2cccnc2)CC12CN(C(=O)[C@@H]1CCOC1)C2 ZINC000306143388 571042316 /nfs/dbraw/zinc/04/23/16/571042316.db2.gz YAYHVFJPZKKEGW-FUHWJXTLSA-N 1 1 359.470 1.558 40 0 FDABMO C[NH+]1CCN(C[C@]2(O)CCN(C(=O)c3ccc4ccccc4n3)C2)CC1 ZINC000257204060 571149441 /nfs/dbraw/zinc/14/94/41/571149441.db2.gz ASWWJWNIUFSNPO-HXUWFJFHSA-N 1 1 354.454 1.059 40 0 FDABMO C[C@@]1(O)CC[N@@H+](Cc2cc3ccccc3o2)C[C@H]1n1ccc(=O)[nH]c1=O ZINC000257227964 571152067 /nfs/dbraw/zinc/15/20/67/571152067.db2.gz FRTUXJITDFRPTD-VQIMIIECSA-N 1 1 355.394 1.893 40 0 FDABMO CCCS(=O)(=O)N1CC[C@@H](O)[C@H]2[C@H](c3ccccc3)C[N@@H+](C)[C@@H]2C1 ZINC000257264721 571155613 /nfs/dbraw/zinc/15/56/13/571155613.db2.gz LVUAWVKVYNXJSJ-MLHJIOFPSA-N 1 1 352.500 1.507 40 0 FDABMO Cc1nc2ccccc2n1CC(=O)N1CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257267472 571156147 /nfs/dbraw/zinc/15/61/47/571156147.db2.gz MHLCBNPEFDJVHU-OALUTQOASA-N 1 1 372.469 1.029 40 0 FDABMO Cc1nc2cc(C(=O)N(C)[C@@H]3CC[C@@H]([NH+]4CCOCC4)[C@@H]3O)ccc2n1C ZINC000257311187 571160830 /nfs/dbraw/zinc/16/08/30/571160830.db2.gz UIHZERLYEFAZEF-GUDVDZBRSA-N 1 1 372.469 1.178 40 0 FDABMO CNc1cc([C@H]2CCC[N@H+]2C2CCN(S(C)(=O)=O)CC2)nc(C)n1 ZINC000257325277 571162372 /nfs/dbraw/zinc/16/23/72/571162372.db2.gz WSFYCCFERPQACN-OAHLLOKOSA-N 1 1 353.492 1.388 40 0 FDABMO CCc1cnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1 ZINC000096187689 722229698 /nfs/dbraw/zinc/22/96/98/722229698.db2.gz HLAKONYISIEEHK-UHFFFAOYSA-N 1 1 353.474 1.186 40 0 FDABMO C[NH+](C)Cc1c[nH]c([C@@H]2CN(C(=O)CCOc3ccccc3)CCO2)n1 ZINC000257343008 210004420 /nfs/dbraw/zinc/00/44/20/210004420.db2.gz ZRBDHWNXZCPZFH-KRWDZBQOSA-N 1 1 358.442 1.840 40 0 FDABMO C[NH+](C)Cc1cnc([C@@H]2CN(C(=O)CCOc3ccccc3)CCO2)[nH]1 ZINC000257343008 210004430 /nfs/dbraw/zinc/00/44/30/210004430.db2.gz ZRBDHWNXZCPZFH-KRWDZBQOSA-N 1 1 358.442 1.840 40 0 FDABMO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@@H+](C)CCC(N)=O)CC2)nn1C ZINC000100687656 209216675 /nfs/dbraw/zinc/21/66/75/209216675.db2.gz RBJMZYJGGIRKJV-IYBDPMFKSA-N 1 1 363.506 1.479 40 0 FDABMO COCC(=O)N1CCC2(CC1)[NH2+]CCn1c(-c3ccc(F)cc3)cnc12 ZINC000096263390 209147012 /nfs/dbraw/zinc/14/70/12/209147012.db2.gz VMEPHPGTPSOXKZ-UHFFFAOYSA-N 1 1 358.417 1.757 40 0 FDABMO CC(C)N1CC[N@@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)N(C)C)cn21 ZINC000096156807 209126270 /nfs/dbraw/zinc/12/62/70/209126270.db2.gz FIULQGLTEAXWMS-QGZVFWFLSA-N 1 1 370.501 1.908 40 0 FDABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N(C)C)C1)CCN(S(=O)(=O)CC)CC3 ZINC000096143888 209121458 /nfs/dbraw/zinc/12/14/58/209121458.db2.gz ABGPTORPCZBAAC-MAUKXSAKSA-N 1 1 371.547 1.238 40 0 FDABMO O=S(=O)(N[C@@H]1CCO[C@]2(CC[N@H+](Cc3ccncc3)C2)C1)C1CC1 ZINC000096107920 209112496 /nfs/dbraw/zinc/11/24/96/209112496.db2.gz WUIYMPASSXOAIL-NVXWUHKLSA-N 1 1 351.472 1.287 40 0 FDABMO O=S(=O)(N[C@@H]1CCO[C@]2(CC[N@@H+](Cc3ccncc3)C2)C1)C1CC1 ZINC000096107920 209112497 /nfs/dbraw/zinc/11/24/97/209112497.db2.gz WUIYMPASSXOAIL-NVXWUHKLSA-N 1 1 351.472 1.287 40 0 FDABMO CN(C)C(=O)[C@@]12CCC3(CCN(C(=O)c4ccncc4)CC3)[C@@H]1C[N@@H+](C)C2 ZINC000096062585 209106043 /nfs/dbraw/zinc/10/60/43/209106043.db2.gz MWGXSJIBNJNBCY-LAUBAEHRSA-N 1 1 370.497 1.734 40 0 FDABMO CCOC(=O)[C@@H](N)CSCCCCSC[C@H]([NH3+])C(=O)OCC ZINC000004783082 207048117 /nfs/dbraw/zinc/04/81/17/207048117.db2.gz RITZJZRVOBCNDH-RYUDHWBXSA-N 1 1 352.522 1.014 40 0 FDABMO O=C(C[NH+]1CCC(O)(c2ccccn2)CC1)NCCc1ccc(F)cc1 ZINC000012114633 207338668 /nfs/dbraw/zinc/33/86/68/207338668.db2.gz PBDVWFQCOSJSFH-UHFFFAOYSA-N 1 1 357.429 1.863 40 0 FDABMO COc1ccccc1C1(O)CC[NH+](CCNC(=O)c2cc(C)no2)CC1 ZINC000012326263 207362044 /nfs/dbraw/zinc/36/20/44/207362044.db2.gz UIJBEERCUWASAE-UHFFFAOYSA-N 1 1 359.426 1.705 40 0 FDABMO CC(C)OCC[NH+]1CCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1 ZINC000019450454 207671738 /nfs/dbraw/zinc/67/17/38/207671738.db2.gz UOUCPHSPFKUUTE-UHFFFAOYSA-N 1 1 357.458 1.509 40 0 FDABMO O[C@H]1CC[C@@H](Cc2cc(-c3ccccn3)on2)O[C@@H]1CNC1CC[NH2+]CC1 ZINC000077263113 208199288 /nfs/dbraw/zinc/19/92/88/208199288.db2.gz ATXODTKISZYIKL-XKGZKEIXSA-N 1 1 372.469 1.529 40 0 biogenic,in-vitro FDABMO Cn1cc(C[N@@H+]2CC[C@@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@@H]3C2)cn1 ZINC000096058474 209103641 /nfs/dbraw/zinc/10/36/41/209103641.db2.gz QESQRGGAOVZFFV-MOPGFXCFSA-N 1 1 374.510 1.598 40 0 FDABMO Cn1cc(C[N@H+]2CC[C@@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@@H]3C2)cn1 ZINC000096058474 209103645 /nfs/dbraw/zinc/10/36/45/209103645.db2.gz QESQRGGAOVZFFV-MOPGFXCFSA-N 1 1 374.510 1.598 40 0 FDABMO Cn1cc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)NCc4ccccn4)O[C@@H]3C2)cn1 ZINC000096043082 209098500 /nfs/dbraw/zinc/09/85/00/209098500.db2.gz AAZQVYNOMHRACG-RYQLBKOJSA-N 1 1 355.442 1.111 40 0 FDABMO Cn1cc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)NCc4ccccn4)O[C@@H]3C2)cn1 ZINC000096043082 209098502 /nfs/dbraw/zinc/09/85/02/209098502.db2.gz AAZQVYNOMHRACG-RYQLBKOJSA-N 1 1 355.442 1.111 40 0 FDABMO CN(C)C(=O)[C@]12C[N@@H+](Cc3ccccn3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251141 132224241 /nfs/dbraw/zinc/22/42/41/132224241.db2.gz VKWHTWDRXSCNJP-YLJYHZDGSA-N 1 1 366.469 1.431 40 0 FDABMO CN1CCN(c2ncnc3c2CC[N@@H+](Cc2ccc(F)cc2)CC3)CC1 ZINC000096255678 132224605 /nfs/dbraw/zinc/22/46/05/132224605.db2.gz XOJAKIAPGWPFJW-UHFFFAOYSA-N 1 1 355.461 1.968 40 0 FDABMO Cc1c(C[N@@H+]2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)cnn1C ZINC000012185091 518593932 /nfs/dbraw/zinc/59/39/32/518593932.db2.gz KPSPUZUTPIIBOW-UHFFFAOYSA-N 1 1 356.474 1.606 40 0 FDABMO Cc1c(C[N@H+]2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)cnn1C ZINC000012185091 518593942 /nfs/dbraw/zinc/59/39/42/518593942.db2.gz KPSPUZUTPIIBOW-UHFFFAOYSA-N 1 1 356.474 1.606 40 0 FDABMO Cc1nc2ncccc2c([C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)C2)n1 ZINC000019240638 518806337 /nfs/dbraw/zinc/80/63/37/518806337.db2.gz SYJZOPSONNMXCW-MRXNPFEDSA-N 1 1 369.469 1.762 40 0 FDABMO CCCNS(=O)(=O)c1ccc(CCC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000019503745 518814292 /nfs/dbraw/zinc/81/42/92/518814292.db2.gz UCEARFREPQKBLE-UHFFFAOYSA-N 1 1 367.515 1.472 40 0 FDABMO Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)c2cnccn2)[nH+]1 ZINC000019698173 518826429 /nfs/dbraw/zinc/82/64/29/518826429.db2.gz GQLQUNOKPAFQEG-IBGZPJMESA-N 1 1 366.469 1.909 40 0 FDABMO CCc1ncc(C[N@@H+]2CCCC[C@H]2CCNS(=O)(=O)N(C)C)cn1 ZINC000019745888 518832510 /nfs/dbraw/zinc/83/25/10/518832510.db2.gz AEQBCNBPAGTJCL-HNNXBMFYSA-N 1 1 355.508 1.180 40 0 FDABMO CCc1ncc(C[N@H+]2CCCC[C@H]2CCNS(=O)(=O)N(C)C)cn1 ZINC000019745888 518832514 /nfs/dbraw/zinc/83/25/14/518832514.db2.gz AEQBCNBPAGTJCL-HNNXBMFYSA-N 1 1 355.508 1.180 40 0 FDABMO C[NH+]1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3ccco3)n2)CC1 ZINC000023360505 518948815 /nfs/dbraw/zinc/94/88/15/518948815.db2.gz QMZAMLTVEASZQQ-UHFFFAOYSA-N 1 1 367.413 1.108 40 0 FDABMO CC[NH+]1CCN(C(=O)CCC(=O)Nc2nc(C)c(C(C)=O)s2)CC1 ZINC000027913413 519204138 /nfs/dbraw/zinc/20/41/38/519204138.db2.gz OFQBGWAAJPTKEH-UHFFFAOYSA-N 1 1 352.460 1.537 40 0 FDABMO CCN(c1ccc(OCC(=O)N2CC[NH+](CC)CC2)cc1)S(C)(=O)=O ZINC000019937795 521490813 /nfs/dbraw/zinc/49/08/13/521490813.db2.gz DPBKKVWCCIHKBJ-UHFFFAOYSA-N 1 1 369.487 1.015 40 0 FDABMO O=C(C[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1)N1CCCC1 ZINC000072339657 522217463 /nfs/dbraw/zinc/21/74/63/522217463.db2.gz DORVYWLQGQYDCA-UHFFFAOYSA-N 1 1 371.437 1.535 40 0 FDABMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000076397097 523101938 /nfs/dbraw/zinc/10/19/38/523101938.db2.gz BNUQANMFSGUOKZ-OWCLPIDISA-N 1 1 357.458 1.592 40 0 FDABMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000076397097 523101945 /nfs/dbraw/zinc/10/19/45/523101945.db2.gz BNUQANMFSGUOKZ-OWCLPIDISA-N 1 1 357.458 1.592 40 0 FDABMO CNC(=O)[C@H]1CCCN1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000158089360 524399291 /nfs/dbraw/zinc/39/92/91/524399291.db2.gz YLTFRXVXYBJYAS-ZWKOTPCHSA-N 1 1 358.486 1.471 40 0 FDABMO O=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2CN1CCOCC1)Nc1ccccc1 ZINC000095252490 525026584 /nfs/dbraw/zinc/02/65/84/525026584.db2.gz XTNSIJFDDOBHFU-JENIJYKNSA-N 1 1 358.486 1.851 40 0 biogenic,in-vitro FDABMO COc1cc(N2CC3(C2)C[C@@H](COCc2ccccn2)CC[N@H+]3C)ncn1 ZINC000306130842 537602318 /nfs/dbraw/zinc/60/23/18/537602318.db2.gz JRBMOTCMVVHDFA-INIZCTEOSA-N 1 1 369.469 1.998 40 0 FDABMO Cc1nc(CN2C[C@H]3C[N@H+](Cc4cccnc4)C[C@@H]3S2(=O)=O)cs1 ZINC000306130820 537602668 /nfs/dbraw/zinc/60/26/68/537602668.db2.gz JQCDDEJOHJKKFI-ZBFHGGJFSA-N 1 1 364.496 1.493 40 0 FDABMO Cc1nc(CN2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3S2(=O)=O)cs1 ZINC000306130820 537602674 /nfs/dbraw/zinc/60/26/74/537602674.db2.gz JQCDDEJOHJKKFI-ZBFHGGJFSA-N 1 1 364.496 1.493 40 0 FDABMO COCCNC(=O)C[C@@H]1Cn2cccc2C[N@H+](Cc2cc(C)nn2C)C1 ZINC000585099049 551570388 /nfs/dbraw/zinc/57/03/88/551570388.db2.gz GUCFAKHDTATURZ-INIZCTEOSA-N 1 1 359.474 1.315 40 0 FDABMO COCCNC(=O)C[C@@H]1Cn2cccc2C[N@@H+](Cc2cc(C)nn2C)C1 ZINC000585099049 551570391 /nfs/dbraw/zinc/57/03/91/551570391.db2.gz GUCFAKHDTATURZ-INIZCTEOSA-N 1 1 359.474 1.315 40 0 FDABMO CS(=O)(=O)CCN1C[C@]2(CCC[N@@H+](CCc3ccccc3)C2)C1=O ZINC000585099385 551570600 /nfs/dbraw/zinc/57/06/00/551570600.db2.gz HUMHWBIPZSDRAB-GOSISDBHSA-N 1 1 350.484 1.198 40 0 FDABMO CCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000585106184 551572453 /nfs/dbraw/zinc/57/24/53/551572453.db2.gz WFPBXZXIPFCDSX-SJORKVTESA-N 1 1 359.445 1.888 40 0 FDABMO Cn1ccc(CC(=O)N2CC[N@H+]3C[C@H](OCc4ccccc4F)C[C@@H]3C2)n1 ZINC000585107959 551572645 /nfs/dbraw/zinc/57/26/45/551572645.db2.gz MTHROLIRMQLDGP-QZTJIDSGSA-N 1 1 372.444 1.604 40 0 FDABMO COCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cc(C)nn3C)C[C@@H]21 ZINC000585109803 551573571 /nfs/dbraw/zinc/57/35/71/551573571.db2.gz VTJFFEYESFPRNZ-CMKODMSKSA-N 1 1 354.454 1.761 40 0 FDABMO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](Cc2ccncc2)CC[C@@]1(C)O ZINC000604382634 553870930 /nfs/dbraw/zinc/87/09/30/553870930.db2.gz WHFVEXVEGHBAML-PCCBWWKXSA-N 1 1 369.465 1.911 40 0 biogenic,in-vitro FDABMO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](Cc2ccncc2)CC[C@@]1(C)O ZINC000604382634 553870932 /nfs/dbraw/zinc/87/09/32/553870932.db2.gz WHFVEXVEGHBAML-PCCBWWKXSA-N 1 1 369.465 1.911 40 0 biogenic,in-vitro FDABMO O[C@@H]1C[C@@H]2C[N@H+](Cc3cccnc3)CC3(CN(Cc4nccs4)C3)N2C1 ZINC000514289841 560031792 /nfs/dbraw/zinc/03/17/92/560031792.db2.gz PCTRELJDUUEGFL-IAGOWNOFSA-N 1 1 371.510 1.044 40 0 biogenic,in-vitro FDABMO O[C@@H]1C[C@@H]2C[N@@H+](Cc3cccnc3)CC3(CN(Cc4nccs4)C3)N2C1 ZINC000514289841 560031793 /nfs/dbraw/zinc/03/17/93/560031793.db2.gz PCTRELJDUUEGFL-IAGOWNOFSA-N 1 1 371.510 1.044 40 0 biogenic,in-vitro FDABMO OCCCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)cc1 ZINC000257276425 570626973 /nfs/dbraw/zinc/62/69/73/570626973.db2.gz NTSCBFOEZUSOCH-ROUUACIJSA-N 1 1 370.440 1.724 40 0 FDABMO CC[C@H](C)N(C)C(=O)c1nnc2n1C1(CC2)CCN(CC[NH+](C)C)CC1 ZINC000306134906 571038893 /nfs/dbraw/zinc/03/88/93/571038893.db2.gz OBEMZXKDGQGWHW-HNNXBMFYSA-N 1 1 362.522 1.448 40 0 FDABMO O=c1c(=O)n(CC2CCC2)nc2n1C[C@H]1C[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306140146 571041727 /nfs/dbraw/zinc/04/17/27/571041727.db2.gz ULSDSZQHHAEPOY-WBVHZDCISA-N 1 1 370.428 1.573 40 0 FDABMO CCCCNC(=O)N1CC[C@@]2(CCc3nc4c(c(=O)n32)C[N@@H+](C)CC4)C1 ZINC000306143961 571043017 /nfs/dbraw/zinc/04/30/17/571043017.db2.gz YRYWORHQUPQMOA-IBGZPJMESA-N 1 1 359.474 1.088 40 0 FDABMO CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCC[N@@H+](Cc2cnccn2)C1 ZINC000257208087 571150187 /nfs/dbraw/zinc/15/01/87/571150187.db2.gz BKRDUTXZSNIIKC-AWEZNQCLSA-N 1 1 365.441 1.601 40 0 FDABMO CNC(=O)c1cnn2c1nccc2[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000257220888 571151603 /nfs/dbraw/zinc/15/16/03/571151603.db2.gz DMQJYZVQFAOPJA-HNNXBMFYSA-N 1 1 350.426 1.864 40 0 FDABMO CC(C)n1nccc1NC(=O)C[N@@H+]1CCC[C@@](C(N)=O)(c2ccccn2)C1 ZINC000257229290 571152585 /nfs/dbraw/zinc/15/25/85/571152585.db2.gz FXNBEXXYTYXJNH-IBGZPJMESA-N 1 1 370.457 1.317 40 0 FDABMO CC(C)n1nccc1NC(=O)C[N@H+]1CCC[C@@](C(N)=O)(c2ccccn2)C1 ZINC000257229290 571152587 /nfs/dbraw/zinc/15/25/87/571152587.db2.gz FXNBEXXYTYXJNH-IBGZPJMESA-N 1 1 370.457 1.317 40 0 FDABMO CCCn1ccc(C(=O)N[C@@H]2CCCC[C@@H]([NH+]3CCOCC3)[C@@H]2O)n1 ZINC000257321979 571161644 /nfs/dbraw/zinc/16/16/44/571161644.db2.gz WEDLXJDQSAROLP-DJIMGWMZSA-N 1 1 350.463 1.027 40 0 FDABMO Cc1ccc(C(=O)NCc2cnc(C)nc2[C@@H]2CCC[N@H+]2C)c(=O)n1C ZINC000257326035 571162365 /nfs/dbraw/zinc/16/23/65/571162365.db2.gz WVMYKOLSJPYUSM-INIZCTEOSA-N 1 1 355.442 1.489 40 0 FDABMO CC(=O)NCc1cn(-c2ccccc2C(=O)NC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000257247120 810832073 /nfs/dbraw/zinc/83/20/73/810832073.db2.gz IXOVWVGQFHZKEK-MRXNPFEDSA-N 1 1 369.469 1.580 40 0 FDABMO CC(C)(O)c1cn(C[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C(=O)Nc2ccccc2)nn1 ZINC000008298345 835750076 /nfs/dbraw/zinc/75/00/76/835750076.db2.gz PWDMLAUPZUYCJM-UAGQMJEPSA-N 1 1 369.469 1.855 40 0 biogenic,in-vitro FDABMO COc1cccc(C[N@@H+]2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)n1 ZINC000108534296 209289825 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0 FDABMO Cc1ccnc(OC[C@@H]2Cn3cncc3C[N@@H+](CC3CCOCC3)C2)n1 ZINC000096220429 209138231 /nfs/dbraw/zinc/13/82/31/209138231.db2.gz YLINTDCPFWWOFK-KRWDZBQOSA-N 1 1 357.458 1.919 40 0 FDABMO O=S(=O)(N[C@H]1CCO[C@]2(CC[N@H+](Cc3cccnc3)C2)C1)C1CC1 ZINC000096218397 209137188 /nfs/dbraw/zinc/13/71/88/209137188.db2.gz ACJQUTFNOKTHIH-DOTOQJQBSA-N 1 1 351.472 1.287 40 0 FDABMO O=S(=O)(N[C@H]1CCO[C@]2(CC[N@@H+](Cc3cccnc3)C2)C1)C1CC1 ZINC000096218397 209137191 /nfs/dbraw/zinc/13/71/91/209137191.db2.gz ACJQUTFNOKTHIH-DOTOQJQBSA-N 1 1 351.472 1.287 40 0 FDABMO CN(C)C(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3ccc(F)cc3)C2)C1 ZINC000096215351 209136488 /nfs/dbraw/zinc/13/64/88/209136488.db2.gz CSXMPSCXHKDEFN-HXUWFJFHSA-N 1 1 361.461 1.771 40 0 FDABMO CO[C@H]1CCN(C(=O)c2cccn2C)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096206342 209135081 /nfs/dbraw/zinc/13/50/81/209135081.db2.gz RAGVGKTYXAHMMJ-UHOSZYNNSA-N 1 1 354.454 1.782 40 0 FDABMO Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@@]3(CCNS(C)(=O)=O)C2)cc1 ZINC000096207832 209134756 /nfs/dbraw/zinc/13/47/56/209134756.db2.gz LXSHKIRSHIBCKJ-MSOLQXFVSA-N 1 1 352.500 1.915 40 0 FDABMO COC[C@@H]1CC2(C[N@H+]1C)CCN(S(=O)(=O)c1cccc(F)c1)CC2 ZINC000096207528 209134344 /nfs/dbraw/zinc/13/43/44/209134344.db2.gz PULPSSQCJJCXIX-HNNXBMFYSA-N 1 1 356.463 1.947 40 0 FDABMO COC[C@H]1CC2(C[N@H+]1C)CCN(S(=O)(=O)c1ccccc1F)CC2 ZINC000096207559 209133983 /nfs/dbraw/zinc/13/39/83/209133983.db2.gz XIWPHPDTKROMFX-CQSZACIVSA-N 1 1 356.463 1.947 40 0 FDABMO COc1ccccc1C[N@H+]1CC[C@]2(C1)C[C@@H](NS(C)(=O)=O)CCO2 ZINC000096107881 209112838 /nfs/dbraw/zinc/11/28/38/209112838.db2.gz SPTOOCTWBTUNQB-DOTOQJQBSA-N 1 1 354.472 1.368 40 0 FDABMO O=S(=O)(NC[C@]12COC[C@H]1C[N@H+](C1CCCC1)C2)c1ccccc1 ZINC000096108514 209112555 /nfs/dbraw/zinc/11/25/55/209112555.db2.gz KKIPRDCIUYKKGQ-QAPCUYQASA-N 1 1 350.484 1.856 40 0 FDABMO CCc1ccc(C[N@@H+]2CCO[C@H]3C[C@H](COCC(=O)N(C)C)C[C@@H]32)o1 ZINC000096082766 209109693 /nfs/dbraw/zinc/10/96/93/209109693.db2.gz NDUYPLZCLZBOSK-JLSDUUJJSA-N 1 1 350.459 1.926 40 0 FDABMO CCc1ccc(C[N@H+]2CCO[C@H]3C[C@H](COCC(=O)N(C)C)C[C@@H]32)o1 ZINC000096082766 209109695 /nfs/dbraw/zinc/10/96/95/209109695.db2.gz NDUYPLZCLZBOSK-JLSDUUJJSA-N 1 1 350.459 1.926 40 0 FDABMO O=C(C[C@@H]1COC[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21)N1CCCCO1 ZINC000096057290 209103789 /nfs/dbraw/zinc/10/37/89/209103789.db2.gz GKZUDIXMJKTIQN-KFWWJZLASA-N 1 1 351.472 1.782 40 0 FDABMO CN(C)S(=O)(=O)N1CC[N@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355140 208837754 /nfs/dbraw/zinc/83/77/54/208837754.db2.gz HGEAQABILSIRGN-INIZCTEOSA-N 1 1 366.531 1.607 40 0 FDABMO CCc1[nH+]ccn1CC(=O)N(C)C[C@]1(O)CCCN(c2ccccn2)C1 ZINC000257254284 132295873 /nfs/dbraw/zinc/29/58/73/132295873.db2.gz KCLOFMVKRHTVII-LJQANCHMSA-N 1 1 357.458 1.330 40 0 FDABMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1nc(C)n2c3ccsc3cc2c1=O ZINC000012115269 518586962 /nfs/dbraw/zinc/58/69/62/518586962.db2.gz HUUPCVNMYQNEGX-ZDUSSCGKSA-N 1 1 373.482 1.620 40 0 FDABMO C[NH+]1CCN(c2nccc(CN3CCN(c4ccc(F)cc4)CC3)n2)CC1 ZINC000012143908 518591506 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/nfs/dbraw/zinc/22/44/69/132224469.db2.gz HCPFCFGKYKCVGE-UHFFFAOYSA-N 1 1 358.471 1.795 40 0 FDABMO C[N@H+]1CCCN(C(=O)c2nc3c(s2)CCCN3c2ncccn2)CC1 ZINC000096264653 132224470 /nfs/dbraw/zinc/22/44/70/132224470.db2.gz HCPFCFGKYKCVGE-UHFFFAOYSA-N 1 1 358.471 1.795 40 0 FDABMO CC(C)C[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CC[NH+](C)CC1 ZINC000019446889 263374079 /nfs/dbraw/zinc/37/40/79/263374079.db2.gz QIWFKFSJUHSOOA-MRXNPFEDSA-N 1 1 372.473 1.785 40 0 FDABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000408707811 263487012 /nfs/dbraw/zinc/48/70/12/263487012.db2.gz FGFQYVGUFAVHBM-CQSZACIVSA-N 1 1 358.442 1.118 40 0 FDABMO O=C(c1cc2ncc(Br)cn2n1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000002788850 518249520 /nfs/dbraw/zinc/24/95/20/518249520.db2.gz QKFSXQUYWNRQDS-NSHDSACASA-N 1 1 350.220 1.412 40 0 FDABMO Cc1ccc([C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]2c2csnn2)cc1 ZINC000019212001 518804090 /nfs/dbraw/zinc/80/40/90/518804090.db2.gz XFYRLOYZIZGIDJ-DLBZAZTESA-N 1 1 372.494 1.888 40 0 FDABMO Cc1ccc([C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]2c2csnn2)cc1 ZINC000019212001 518804097 /nfs/dbraw/zinc/80/40/97/518804097.db2.gz XFYRLOYZIZGIDJ-DLBZAZTESA-N 1 1 372.494 1.888 40 0 FDABMO O=c1[nH]c(-c2cnccn2)nc2c1CC[N@@H+](Cc1cccc(F)c1)CC2 ZINC000019293908 518805404 /nfs/dbraw/zinc/80/54/04/518805404.db2.gz VQBKQLQWQCPWJG-UHFFFAOYSA-N 1 1 351.385 1.967 40 0 FDABMO Cc1[nH+]ccn1CC1(O)CCN(C(=O)CCN2CCc3ccccc32)CC1 ZINC000019287850 518806357 /nfs/dbraw/zinc/80/63/57/518806357.db2.gz DZVXSZJFQCGJPQ-UHFFFAOYSA-N 1 1 368.481 1.998 40 0 FDABMO Cc1ccnn1[C@H](C)C(=O)N1CCC(c2ncc3c(n2)CC[N@H+](C)C3)CC1 ZINC000019238242 518806454 /nfs/dbraw/zinc/80/64/54/518806454.db2.gz XTPCSRBGJRJQMX-OAHLLOKOSA-N 1 1 368.485 1.937 40 0 FDABMO CC(C)[N@@H+]1CCc2nc3ccc(C(=O)N4CCOCC4)cc3c(=O)n2CC1 ZINC000019448635 518811539 /nfs/dbraw/zinc/81/15/39/518811539.db2.gz OQRZFNJRAHYYEI-UHFFFAOYSA-N 1 1 370.453 1.135 40 0 FDABMO CC(C)c1cc(C(=O)N2CCC(c3ncc4c(n3)CC[NH2+]C4)CC2)n[nH]1 ZINC000019451767 518811707 /nfs/dbraw/zinc/81/17/07/518811707.db2.gz ZDHGXBTVDYJJDT-UHFFFAOYSA-N 1 1 354.458 1.989 40 0 FDABMO CCn1ncc(C[N@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)c1C ZINC000019523979 518814933 /nfs/dbraw/zinc/81/49/33/518814933.db2.gz SFHVLSWPAUAUIX-UHFFFAOYSA-N 1 1 365.441 1.353 40 0 FDABMO COc1cc(CCC(=O)N2CC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)on1 ZINC000019590596 518820338 /nfs/dbraw/zinc/82/03/38/518820338.db2.gz PIJBSEGMVDHFFR-CYBMUJFWSA-N 1 1 371.441 1.410 40 0 FDABMO CS(=O)(=O)N1CCCc2ccc(NC(=O)CC[NH+]3CCOCC3)cc21 ZINC000019655165 518823177 /nfs/dbraw/zinc/82/31/77/518823177.db2.gz NPBGVLBDOOCQAD-UHFFFAOYSA-N 1 1 367.471 1.060 40 0 FDABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CCN(C(=O)c1cccnc1)C2 ZINC000019707251 518827363 /nfs/dbraw/zinc/82/73/63/518827363.db2.gz ZWGJOOTXQMICCG-OAHLLOKOSA-N 1 1 366.469 1.921 40 0 FDABMO COc1ccccc1CCC(=O)N1CC[C@@]2(NC(C)=O)C[N@@H+](C)C[C@H]2C1 ZINC000019713088 518830240 /nfs/dbraw/zinc/83/02/40/518830240.db2.gz ZHKUHZYTMDJCEZ-FXAWDEMLSA-N 1 1 359.470 1.297 40 0 FDABMO CC(=O)N[C@]12C[N@@H+](C)C[C@H]1CN(S(=O)(=O)c1cccc(Cl)c1)CC2 ZINC000019713085 518830794 /nfs/dbraw/zinc/83/07/94/518830794.db2.gz LOCWTFVJFUOEPI-XJKSGUPXSA-N 1 1 371.890 1.171 40 0 FDABMO Cc1nn(C)cc1CN1CCN(c2cc(C)nc([C@H]3CC[NH2+]C3)c2)CC1 ZINC000019739025 518832450 /nfs/dbraw/zinc/83/24/50/518832450.db2.gz GYXZMKUMEZZKKL-KRWDZBQOSA-N 1 1 354.502 1.831 40 0 FDABMO CCN1CC[NH+](C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@H](O)[C@@H]32)CC1 ZINC000022457081 518902231 /nfs/dbraw/zinc/90/22/31/518902231.db2.gz RZJXEISZQFKAGA-FIAZYZPESA-N 1 1 362.514 1.909 40 0 FDABMO CC1=C(C(=O)N2CC[NH+](C)CC2)[C@H](c2ccc(O)cc2)n2ncnc2N1 ZINC000054672240 523675928 /nfs/dbraw/zinc/67/59/28/523675928.db2.gz ACANCEGCLKAZPZ-INIZCTEOSA-N 1 1 354.414 1.047 40 0 FDABMO COc1ccc2c3c1O[C@]1(C)[C@H](OC(C)=O)[C@@H](O)C=C4[C@@H](C2)[N@@H+](C)CC[C@@]341 ZINC000253504759 525618153 /nfs/dbraw/zinc/61/81/53/525618153.db2.gz LQIKGKFOKAXCRM-UGSUJBKMSA-N 1 1 371.433 1.577 40 0 biogenic,in-vitro FDABMO O=C(NCCc1cccs1)[C@H]1C[N@@H+](C2CCOCC2)Cc2ccnn21 ZINC000247501434 537126463 /nfs/dbraw/zinc/12/64/63/537126463.db2.gz QAUSPSYDRVXJBV-QGZVFWFLSA-N 1 1 360.483 1.839 40 0 FDABMO O=C(NCCc1cccs1)[C@H]1C[N@H+](C2CCOCC2)Cc2ccnn21 ZINC000247501434 537126464 /nfs/dbraw/zinc/12/64/64/537126464.db2.gz QAUSPSYDRVXJBV-QGZVFWFLSA-N 1 1 360.483 1.839 40 0 FDABMO COc1ccccc1C[NH+]1CC2(C1)C[C@@H](OCC(=O)N(C)C)CS2 ZINC000247968488 537160005 /nfs/dbraw/zinc/16/00/05/537160005.db2.gz GYEVJLMANQAFHM-OAHLLOKOSA-N 1 1 350.484 1.860 40 0 FDABMO CC[NH+]1CCN(C(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)CC1 ZINC000224401074 537539768 /nfs/dbraw/zinc/53/97/68/537539768.db2.gz NJNMVHGDEPACRJ-UHFFFAOYSA-N 1 1 373.906 1.266 40 0 FDABMO CC(C)S(=O)(=O)N1CC2(C1)C[C@@H](COCc1ccncc1)CC[N@@H+]2C ZINC000306130862 537601799 /nfs/dbraw/zinc/60/17/99/537601799.db2.gz JRKCSWNBHQIZAY-KRWDZBQOSA-N 1 1 367.515 1.733 40 0 FDABMO CC(C)S(=O)(=O)N1CC2(C1)C[C@@H](COCc1ccncc1)CC[N@H+]2C ZINC000306130862 537601806 /nfs/dbraw/zinc/60/18/06/537601806.db2.gz JRKCSWNBHQIZAY-KRWDZBQOSA-N 1 1 367.515 1.733 40 0 FDABMO CCCS(=O)(=O)N1CC2(C1)C[C@H](COCc1cccnc1)CC[N@@H+]2C ZINC000306144968 537605019 /nfs/dbraw/zinc/60/50/19/537605019.db2.gz ZTQWIWDOTQBRRB-MRXNPFEDSA-N 1 1 367.515 1.734 40 0 FDABMO CCCS(=O)(=O)N1CC2(C1)C[C@H](COCc1cccnc1)CC[N@H+]2C ZINC000306144968 537605025 /nfs/dbraw/zinc/60/50/25/537605025.db2.gz ZTQWIWDOTQBRRB-MRXNPFEDSA-N 1 1 367.515 1.734 40 0 FDABMO C[N@H+]1CC[C@@H](COCc2ccncc2)CC12CN(C(=O)[C@H]1CCOC1)C2 ZINC000575405066 550460893 /nfs/dbraw/zinc/46/08/93/550460893.db2.gz RHLRUJLLDBDLBP-MSOLQXFVSA-N 1 1 359.470 1.558 40 0 FDABMO O=S1(=O)C[C@H]([NH2+]CCNC(c2ccccc2)c2ccccc2)[C@H](O)C1 ZINC000575420420 550461944 /nfs/dbraw/zinc/46/19/44/550461944.db2.gz HSHNKSCGNSDQAO-ZWKOTPCHSA-N 1 1 360.479 1.113 40 0 FDABMO C[C@@H]1Cc2nnc(COc3ccccn3)n2CC[N@H+]1Cc1cnn(C)c1 ZINC000585098211 551570185 /nfs/dbraw/zinc/57/01/85/551570185.db2.gz SADIOVNMTXXZMF-CQSZACIVSA-N 1 1 353.430 1.432 40 0 FDABMO Cc1cc(C[N@H+]2CCC[C@@]3(CN(c4ccc(=O)n(C)c4)C3=O)C2)n(C)n1 ZINC000585099625 551570973 /nfs/dbraw/zinc/57/09/73/551570973.db2.gz SPAYKORWGIJUEC-IBGZPJMESA-N 1 1 355.442 1.056 40 0 FDABMO COCC[N@H+]1CC2(C[C@H]1COC)CCN(C(=O)c1ccnc(F)c1)CC2 ZINC000585103660 551571310 /nfs/dbraw/zinc/57/13/10/551571310.db2.gz LVOQQSOTAGNEGP-INIZCTEOSA-N 1 1 365.449 1.810 40 0 FDABMO O=C(Cc1ccsc1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC3CC3)C[C@@H]12 ZINC000585106241 551572378 /nfs/dbraw/zinc/57/23/78/551572378.db2.gz YRZAQUVIZLAMJP-SJORKVTESA-N 1 1 373.522 1.740 40 0 FDABMO CC(=O)N1CCC[C@@]1(CO)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000585281421 551578723 /nfs/dbraw/zinc/57/87/23/551578723.db2.gz ZVRMZQUTQYVYIH-FQEVSTJZSA-N 1 1 359.470 1.094 40 0 FDABMO Cc1cc(OC[C@@]2(O)C[N@@H+](CC3(O)CCCC3)CC[C@@H]2O)ccc1F ZINC000585282685 551578881 /nfs/dbraw/zinc/57/88/81/551578881.db2.gz MRTVUWOVGYVGGY-HKUYNNGSSA-N 1 1 353.434 1.616 40 0 FDABMO CN(C)C(=O)[C@H]1CN(C)CC[N@@H+](C[C@@]2(O)CC[C@H](C(C)(C)C)CC2)C1 ZINC000585285367 551579371 /nfs/dbraw/zinc/57/93/71/551579371.db2.gz YAGCZEYXKQIBGU-ABSDTBQOSA-N 1 1 353.551 1.906 40 0 FDABMO O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(CN(Cc4ccccc4)C3)[N@H+]2C1 ZINC000514290356 560029824 /nfs/dbraw/zinc/02/98/24/560029824.db2.gz XUJAYNJVJLZHGO-LEWJYISDSA-N 1 1 364.493 1.587 40 0 biogenic,in-vitro FDABMO COc1ccccc1CN1CC2(C1)C[N@@H+](CC(C)C)C[C@@H]1C[C@@H](O)CN12 ZINC000514290227 560030468 /nfs/dbraw/zinc/03/04/68/560030468.db2.gz VHHPZIRRVRCNMA-RBUKOAKNSA-N 1 1 359.514 1.656 40 0 biogenic,in-vitro FDABMO O[C@@H]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC3(CN(Cc4nccs4)C3)N2C1 ZINC000514289261 560033163 /nfs/dbraw/zinc/03/31/63/560033163.db2.gz KLYHMOJSKAKFQQ-QZTJIDSGSA-N 1 1 370.522 1.649 40 0 biogenic,in-vitro FDABMO C[N@@H+](CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)c2ccccc2)[C@H]1O ZINC000514289025 560033414 /nfs/dbraw/zinc/03/34/14/560033414.db2.gz OIECEBSSSCJRNF-SLFFLAALSA-N 1 1 354.450 1.719 40 0 biogenic,in-vitro FDABMO COc1ccc(CN2CC3(C2)C[N@@H+](CC(C)C)C[C@@H]2C[C@@H](O)CN23)cc1 ZINC000514288466 560035016 /nfs/dbraw/zinc/03/50/16/560035016.db2.gz AYGXOEVPWVETGM-RBUKOAKNSA-N 1 1 359.514 1.656 40 0 biogenic,in-vitro FDABMO CCOCCOc1ccc(C[N@H+]2CCC[C@]2(C)C(=O)NCCO)cc1 ZINC000257259552 570627107 /nfs/dbraw/zinc/62/71/07/570627107.db2.gz KYWXDGWAYDJPQR-LJQANCHMSA-N 1 1 350.459 1.565 40 0 FDABMO Cc1ccc(OCc2nn(CC(=O)N3CC[NH+](C)CC3)c(=S)o2)cc1 ZINC000409165880 570734715 /nfs/dbraw/zinc/73/47/15/570734715.db2.gz BGDPPSZVFWXLDV-UHFFFAOYSA-N 1 1 362.455 1.867 40 0 FDABMO Cn1ccnc1-c1nnc2n(c1=O)CC[C@]21CC[N@@H+](Cc2cccs2)C1 ZINC000306134317 571039196 /nfs/dbraw/zinc/03/91/96/571039196.db2.gz NIVLVTSUDHXCKK-SFHVURJKSA-N 1 1 368.466 1.648 40 0 FDABMO COc1ccc(CN2CCO[C@]3(C[N@@H+](C)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306135963 571039744 /nfs/dbraw/zinc/03/97/44/571039744.db2.gz PFESAZDELHOKKL-FPOVZHCZSA-N 1 1 367.449 1.917 40 0 FDABMO C[N@@H+]1CC[C@@H](COCc2ccncc2)CC12CN(C(=O)c1cnccn1)C2 ZINC000306138815 571041035 /nfs/dbraw/zinc/04/10/35/571041035.db2.gz 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363.421 1.836 40 0 FDABMO O=C(N[C@@H](CC[NH+]1CCOCC1)c1ccccc1)c1cccn2nnnc12 ZINC000019661944 518824827 /nfs/dbraw/zinc/82/48/27/518824827.db2.gz DOCYPLAOOGKUAT-KRWDZBQOSA-N 1 1 366.425 1.318 40 0 FDABMO C[C@@H](C(=O)N1CCC(c2cc(C[NH+](C)C)n(C)n2)CC1)N1CCCC1=O ZINC000019710184 518827747 /nfs/dbraw/zinc/82/77/47/518827747.db2.gz QRHKYWVJUXHFOB-AWEZNQCLSA-N 1 1 361.490 1.199 40 0 FDABMO C[N@@H+]1CCc2nnc([C@@H]3CCCN3C(=O)COc3ccccc3)n2CC1 ZINC000019706356 518827958 /nfs/dbraw/zinc/82/79/58/518827958.db2.gz SIRCRPMDPSINND-INIZCTEOSA-N 1 1 355.442 1.509 40 0 FDABMO COc1ccc(CCC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@]3(NC(C)=O)C2)cc1 ZINC000019713650 518829868 /nfs/dbraw/zinc/82/98/68/518829868.db2.gz FHKMPXRYJOLSLT-XLIONFOSSA-N 1 1 359.470 1.297 40 0 FDABMO Cc1cc(N2CCN(C(=O)c3cnccn3)CC2)cc([C@H]2CC[NH2+]C2)n1 ZINC000019739127 518832684 /nfs/dbraw/zinc/83/26/84/518832684.db2.gz VKVATSSIFDKHFP-HNNXBMFYSA-N 1 1 352.442 1.219 40 0 FDABMO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccnc(N2CCCC2)n1 ZINC000019748910 518833686 /nfs/dbraw/zinc/83/36/86/518833686.db2.gz CMFAHGKJLCKWKX-INIZCTEOSA-N 1 1 367.519 1.371 40 0 FDABMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccnc(N2CCCC2)n1 ZINC000019748910 518833694 /nfs/dbraw/zinc/83/36/94/518833694.db2.gz CMFAHGKJLCKWKX-INIZCTEOSA-N 1 1 367.519 1.371 40 0 FDABMO C[N@H+]1CCN(C(=O)CCCc2ccccc2)C[C@](O)(Cn2cccn2)C1 ZINC000072354527 522221685 /nfs/dbraw/zinc/22/16/85/522221685.db2.gz WBGHILHBKFAOFR-FQEVSTJZSA-N 1 1 356.470 1.411 40 0 FDABMO CN(C)C(=O)CO[C@@H]1CSC2(C[NH+](Cc3ccc4c(c3)OCO4)C2)C1 ZINC000247944049 537158719 /nfs/dbraw/zinc/15/87/19/537158719.db2.gz AQBYKDNBASNPDQ-AWEZNQCLSA-N 1 1 364.467 1.580 40 0 FDABMO Cn1nccc1C(=O)N1CC2(C1)C[C@@H](COc1ccccn1)CC[N@@H+]2C ZINC000248103080 537165943 /nfs/dbraw/zinc/16/59/43/537165943.db2.gz FGXBTVGSASOVHL-HNNXBMFYSA-N 1 1 355.442 1.431 40 0 FDABMO Cn1nccc1C(=O)N1CC2(C1)C[C@@H](COc1ccccn1)CC[N@H+]2C ZINC000248103080 537165946 /nfs/dbraw/zinc/16/59/46/537165946.db2.gz FGXBTVGSASOVHL-HNNXBMFYSA-N 1 1 355.442 1.431 40 0 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C[C@H]1CN2C[C@H](O)C[C@@H]2C[N@H+]1CC1(O)CCN(c2ccccc2F)CC1 ZINC000585282534 551578911 /nfs/dbraw/zinc/57/89/11/551578911.db2.gz FZOYAKGLZICHJS-GVDBMIGSSA-N 1 1 363.477 1.296 40 0 FDABMO CC(C)(C)C(=O)N1CC2(C1)C[N@@H+](Cc1ccccc1)C[C@@H]1COCCN12 ZINC000604381747 553870135 /nfs/dbraw/zinc/87/01/35/553870135.db2.gz MOBMZPKVFBHYSL-GOSISDBHSA-N 1 1 357.498 1.830 40 0 biogenic,in-vitro FDABMO CC(C)C(=O)N1C[C@@H]2C[C@@H](O)CN2C2(C[NH+](CCc3ccccc3)C2)C1 ZINC000514289909 560031306 /nfs/dbraw/zinc/03/13/06/560031306.db2.gz PXHGOFCTRZQZSN-RBUKOAKNSA-N 1 1 357.498 1.217 40 0 biogenic,in-vitro FDABMO CC(C)C(=O)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(CCc3ccccc3)C2)C1 ZINC000514289909 560031308 /nfs/dbraw/zinc/03/13/08/560031308.db2.gz PXHGOFCTRZQZSN-RBUKOAKNSA-N 1 1 357.498 1.217 40 0 biogenic,in-vitro FDABMO CC(C)C(=O)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(CCc3ccccc3)C2)C1 ZINC000514289909 560031309 /nfs/dbraw/zinc/03/13/09/560031309.db2.gz PXHGOFCTRZQZSN-RBUKOAKNSA-N 1 1 357.498 1.217 40 0 biogenic,in-vitro 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1.722 40 0 FDABMO CC(=O)NCCn1nc([C@@H]2CC[N@@H+](C[C@H]3CCOC3)C2)c2cccnc21 ZINC000253489460 571291717 /nfs/dbraw/zinc/29/17/17/571291717.db2.gz FHSZIBHPEQJNMR-HZPDHXFCSA-N 1 1 357.458 1.393 40 0 FDABMO CC1(C)CN(S(=O)(=O)c2ccccc2)C[C@@H]2C[N@@H+](CC3CC3)CCN21 ZINC000253403163 210216243 /nfs/dbraw/zinc/21/62/43/210216243.db2.gz PKKYNGLPPWCQSU-KRWDZBQOSA-N 1 1 363.527 1.866 40 0 biogenic,in-vitro FDABMO CC[NH+]1CCN(C(=O)c2nnc3sc(-c4ccccc4F)nn32)CC1 ZINC000057354683 210208255 /nfs/dbraw/zinc/20/82/55/210208255.db2.gz IWFYSUKFCVNPIO-UHFFFAOYSA-N 1 1 360.418 1.770 40 0 FDABMO CCCN(C)C(=O)[C@@H]1C=C2c3cccc4c3[C@@](O)(C[C@H]2[N@H+](C)C1)C(=O)N4 ZINC000065748323 210099031 /nfs/dbraw/zinc/09/90/31/210099031.db2.gz PSQLKUJBRLOLIQ-RRBXVBTKSA-N 1 1 355.438 1.412 40 0 in-vitro FDABMO C[N@@H+]1CC[C@H](COc2ncccc2F)CC12CN(C(=O)c1cnccn1)C2 ZINC000306144213 210057110 /nfs/dbraw/zinc/05/71/10/210057110.db2.gz YZHIOEWWMHIGHW-AWEZNQCLSA-N 1 1 371.416 1.626 40 0 FDABMO 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ZINC000104279858 222354209 /nfs/dbraw/zinc/35/42/09/222354209.db2.gz KSCZIIPJSOVNCQ-QGZVFWFLSA-N 1 1 364.409 1.694 40 0 FDABMO CCOC(=O)c1ccc(NC(=O)C[C@H]2[NH2+][C@@H]3CCCC[C@@H]3NC2=O)cc1 ZINC000005444398 518345263 /nfs/dbraw/zinc/34/52/63/518345263.db2.gz VLIXPVZDBZWYJY-OWCLPIDISA-N 1 1 359.426 1.591 40 0 FDABMO COc1ccc(C[N@H+]2CCc3nc(C)[nH]c(=O)c3C2)cc1Cn1cccn1 ZINC000012145340 518592413 /nfs/dbraw/zinc/59/24/13/518592413.db2.gz JJZKEYBFAFPIHF-UHFFFAOYSA-N 1 1 365.437 1.890 40 0 FDABMO CC(=O)N[C@]12CN(C(C)=O)C[C@H]1CC[N@@H+](Cc1cccc3cccnc31)C2 ZINC000019713598 518830961 /nfs/dbraw/zinc/83/09/61/518830961.db2.gz IKAKDCWNBJLLQT-TZIWHRDSSA-N 1 1 366.465 1.794 40 0 FDABMO COc1cccc(OC)c1C(=O)N1CCn2c(nnc2[C@@H]2CCC[N@@H+]2C)C1 ZINC000019767297 518835893 /nfs/dbraw/zinc/83/58/93/518835893.db2.gz GULVRQHKOJXKSW-ZDUSSCGKSA-N 1 1 371.441 1.718 40 0 FDABMO COc1cccc(OC)c1C(=O)N1CCn2c(nnc2[C@@H]2CCC[N@H+]2C)C1 ZINC000019767297 518835900 /nfs/dbraw/zinc/83/59/00/518835900.db2.gz 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ZINC000585282993 551578826 /nfs/dbraw/zinc/57/88/26/551578826.db2.gz LTLACCSYGMHPFX-YSIASYRMSA-N 1 1 359.514 1.466 40 0 FDABMO O[C@@H]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC3(CN(Cc4cccnc4)C3)N2C1 ZINC000514290288 560029556 /nfs/dbraw/zinc/02/95/56/560029556.db2.gz WHIPEWYWAGOUAV-NHCUHLMSSA-N 1 1 364.493 1.587 40 0 biogenic,in-vitro FDABMO O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(CN(Cc4cccnc4)C3)[N@@H+]2C1 ZINC000514290288 560029560 /nfs/dbraw/zinc/02/95/60/560029560.db2.gz WHIPEWYWAGOUAV-NHCUHLMSSA-N 1 1 364.493 1.587 40 0 biogenic,in-vitro FDABMO O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(CN(Cc4cccnc4)C3)[N@H+]2C1 ZINC000514290288 560029563 /nfs/dbraw/zinc/02/95/63/560029563.db2.gz WHIPEWYWAGOUAV-NHCUHLMSSA-N 1 1 364.493 1.587 40 0 biogenic,in-vitro FDABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@@H]1c1cncc(CNC(C)=O)n1 ZINC000257286913 529759521 /nfs/dbraw/zinc/75/95/21/529759521.db2.gz PNQAOWJROPISSL-MRXNPFEDSA-N 1 1 356.430 1.235 40 0 FDABMO CCc1[nH+]ccn1CC(=O)N1C[C@@H]2[C@H](N(C)c3cccnn3)CC[C@@H]2C1 ZINC000257273550 529759715 /nfs/dbraw/zinc/75/97/15/529759715.db2.gz NHCICRFMNDQEKT-OWCLPIDISA-N 1 1 354.458 1.609 40 0 FDABMO C[N@@H+]1CC[C@H](COCc2cccnc2)CC12CN(C(=O)c1ccn[nH]1)C2 ZINC000306142135 210058476 /nfs/dbraw/zinc/05/84/76/210058476.db2.gz WQUBNPWCYSJNES-HNNXBMFYSA-N 1 1 355.442 1.558 40 0 FDABMO C[N@H+]1CC[C@H](COCc2cccnc2)CC12CN(C(=O)c1ccn[nH]1)C2 ZINC000306142135 210058480 /nfs/dbraw/zinc/05/84/80/210058480.db2.gz WQUBNPWCYSJNES-HNNXBMFYSA-N 1 1 355.442 1.558 40 0 FDABMO C[N@@H+]1CC[C@H](COCc2cccnc2)CC12CN(C(=O)c1cc[nH]n1)C2 ZINC000306142135 210058485 /nfs/dbraw/zinc/05/84/85/210058485.db2.gz WQUBNPWCYSJNES-HNNXBMFYSA-N 1 1 355.442 1.558 40 0 FDABMO C[N@H+]1CC[C@H](COCc2cccnc2)CC12CN(C(=O)c1cc[nH]n1)C2 ZINC000306142135 210058489 /nfs/dbraw/zinc/05/84/89/210058489.db2.gz WQUBNPWCYSJNES-HNNXBMFYSA-N 1 1 355.442 1.558 40 0 FDABMO CCCS(=O)(=O)N1CC2(C1)C[C@@H](COc1ncccc1F)CC[N@@H+]2C ZINC000306143331 210058273 /nfs/dbraw/zinc/05/82/73/210058273.db2.gz XZGUUIOXEAWFHK-AWEZNQCLSA-N 1 1 371.478 1.736 40 0 FDABMO CCCS(=O)(=O)N1CC2(C1)C[C@@H](COc1ncccc1F)CC[N@H+]2C ZINC000306143331 210058275 /nfs/dbraw/zinc/05/82/75/210058275.db2.gz XZGUUIOXEAWFHK-AWEZNQCLSA-N 1 1 371.478 1.736 40 0 FDABMO O=C(NC1CCC1)c1nnc2n1C[C@@H]1C[N@H+](Cc3cccs3)C[C@@H]1C2 ZINC000306140832 210057343 /nfs/dbraw/zinc/05/73/43/210057343.db2.gz VEVXHQJXAHTSBO-STQMWFEESA-N 1 1 357.483 1.926 40 0 FDABMO CC[C@@H](C)N(C)C(=O)c1nnc2n1C1(CC2)CCN(CC[NH+](C)C)CC1 ZINC000306134907 210053354 /nfs/dbraw/zinc/05/33/54/210053354.db2.gz OBEMZXKDGQGWHW-OAHLLOKOSA-N 1 1 362.522 1.448 40 0 FDABMO Cc1noc(C)c1C[N@@H+]1C[C@@H]2OC[C@H](CCOCC(=O)N(C)C)[C@@H]2C1 ZINC000306130366 210051594 /nfs/dbraw/zinc/05/15/94/210051594.db2.gz JDWDDNINRHZNBU-XIRDDKMYSA-N 1 1 351.447 1.233 40 0 FDABMO Cc1cnc(CNC(=O)[C@H]2C[N@@H+](CC3CCCC3)Cc3ncn(C)c32)cn1 ZINC000306123298 210049703 /nfs/dbraw/zinc/04/97/03/210049703.db2.gz AJMSIBJESXKLGF-KRWDZBQOSA-N 1 1 368.485 1.924 40 0 FDABMO Cc1nc(Nc2ncccn2)cc([C@H]2CCC[N@@H+](CC(=O)N(C)C)C2)n1 ZINC000257257457 223040708 /nfs/dbraw/zinc/04/07/08/223040708.db2.gz KPQLZKGKCAQYEX-AWEZNQCLSA-N 1 1 355.446 1.586 40 0 FDABMO Cc1nc(Nc2ncccn2)cc([C@H]2CCC[N@H+](CC(=O)N(C)C)C2)n1 ZINC000257257457 223040710 /nfs/dbraw/zinc/04/07/10/223040710.db2.gz KPQLZKGKCAQYEX-AWEZNQCLSA-N 1 1 355.446 1.586 40 0 FDABMO Cn1cc(C(=O)N[C@@H]2CCC[C@@H]([NH+]3CCOCC3)[C@@H]2O)c2ccccc21 ZINC000257268348 223044735 /nfs/dbraw/zinc/04/47/35/223044735.db2.gz MLHQYCIONSAYKM-BHIYHBOVSA-N 1 1 357.454 1.522 40 0 FDABMO Cn1cc(C(=O)N2CC[C@H](O)[C@@H]([NH+]3CCOCC3)CC2)c2ccccc21 ZINC000257304175 223057500 /nfs/dbraw/zinc/05/75/00/223057500.db2.gz SKJJILBAJYMKHL-OALUTQOASA-N 1 1 357.454 1.476 40 0 FDABMO O=C(NC1CC(F)(F)C1)[C@H]1C[N@H+](CC2CCOCC2)Cc2cncn21 ZINC000306136639 223111010 /nfs/dbraw/zinc/11/10/10/223111010.db2.gz PYYCEBUNMMCEPM-OAHLLOKOSA-N 1 1 354.401 1.580 40 0 FDABMO CN(C)CN1c2ccccc2[C@@]2(NC(=[NH2+])Nc3nc4ccccc4n32)C1=O ZINC000014608231 220128663 /nfs/dbraw/zinc/12/86/63/220128663.db2.gz HYRRFEBTBRQKRO-IBGZPJMESA-N 1 1 361.409 1.343 40 0 FDABMO CCN(CC)S(=O)(=O)N1CCCC[C@H]1c1cc(C[NH+](C)C)n(C)n1 ZINC000019709143 211247335 /nfs/dbraw/zinc/24/73/35/211247335.db2.gz AKYSPDDGCVZWNQ-INIZCTEOSA-N 1 1 357.524 1.595 40 0 FDABMO CCN(CC)S(=O)(=O)N1CCC[C@H](c2cc(C[NH+](C)C)n(C)n2)C1 ZINC000019709022 211247228 /nfs/dbraw/zinc/24/72/28/211247228.db2.gz GBZFPEBMQWYASF-AWEZNQCLSA-N 1 1 357.524 1.248 40 0 FDABMO CC(C)[C@H](CNC(=O)Cc1ccc2nc(N)sc2c1)[NH+]1CCOCC1 ZINC000019662318 211244766 /nfs/dbraw/zinc/24/47/66/211244766.db2.gz OUUYXMPWUSARNW-HNNXBMFYSA-N 1 1 362.499 1.894 40 0 FDABMO COc1ncc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@H]2Cc2ccccc2)cn1 ZINC000019572149 211234803 /nfs/dbraw/zinc/23/48/03/211234803.db2.gz XQYVZVCHHNVUNB-CEXWTWQISA-N 1 1 354.454 1.347 40 0 FDABMO CC(=O)NCCn1nc([C@H]2CC[N@@H+](Cc3ccccc3)C2)c2nccnc21 ZINC000019021583 211200340 /nfs/dbraw/zinc/20/03/40/211200340.db2.gz RWIQFQHSGSLFJM-KRWDZBQOSA-N 1 1 364.453 1.952 40 0 FDABMO CO[C@H]1CCC[N@@H+]2[C@H](CC[C@H]2[C@@H]2C[C@H](C)C(=O)O2)[C@]12C[C@H](C)C(=O)O2 ZINC000070454845 221332457 /nfs/dbraw/zinc/33/24/57/221332457.db2.gz TZPKEJFBTXRNTK-OSPICLMDSA-N 1 1 351.443 1.902 40 0 biogenic,in-vitro FDABMO CNC(=O)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251095 132224270 /nfs/dbraw/zinc/22/42/70/132224270.db2.gz VQZRGJUTVIATNR-YLJYHZDGSA-N 1 1 351.454 1.694 40 0 FDABMO Cc1ccsc1C[N@H+]1C[C@@H]2CN(S(=O)(=O)C3CC3)CCO[C@@H]2C1 ZINC000096108053 222026261 /nfs/dbraw/zinc/02/62/61/222026261.db2.gz APYZTCOUVZZRIO-UKRRQHHQSA-N 1 1 356.513 1.681 40 0 FDABMO c1cc(CN2CCO[C@@]3(C2)COCC[N@H+](Cc2ccncc2)C3)ccn1 ZINC000096049846 222000645 /nfs/dbraw/zinc/00/06/45/222000645.db2.gz SEBZNVMDSUCKGK-FQEVSTJZSA-N 1 1 354.454 1.580 40 0 FDABMO c1cc(CN2CCO[C@@]3(C2)COCC[N@@H+](Cc2ccncc2)C3)ccn1 ZINC000096049846 222000649 /nfs/dbraw/zinc/00/06/49/222000649.db2.gz SEBZNVMDSUCKGK-FQEVSTJZSA-N 1 1 354.454 1.580 40 0 FDABMO c1ccc(CN2CCO[C@@]3(C2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC000096049842 222001823 /nfs/dbraw/zinc/00/18/23/222001823.db2.gz COIGFXHPIHWYSW-FQEVSTJZSA-N 1 1 354.454 1.580 40 0 FDABMO c1ccc(CN2CCO[C@@]3(C2)COCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC000096049842 222001827 /nfs/dbraw/zinc/00/18/27/222001827.db2.gz COIGFXHPIHWYSW-FQEVSTJZSA-N 1 1 354.454 1.580 40 0 FDABMO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)NCc4nccn4C)C[C@H]32)s1 ZINC000096055606 222004997 /nfs/dbraw/zinc/00/49/97/222004997.db2.gz MUOSIZIXOOONBH-OAGGEKHMSA-N 1 1 360.483 1.838 40 0 FDABMO O=C(C1CC=CC1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC000096076846 222014400 /nfs/dbraw/zinc/01/44/00/222014400.db2.gz KPCDTHWMZCLKNX-FQEVSTJZSA-N 1 1 357.454 1.478 40 0 FDABMO O=C(C1CC=CC1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC000096076846 222014405 /nfs/dbraw/zinc/01/44/05/222014405.db2.gz KPCDTHWMZCLKNX-FQEVSTJZSA-N 1 1 357.454 1.478 40 0 FDABMO CCc1ccc(C[N@@H+]2CCO[C@H]3C[C@@H](COCC(=O)N(C)C)C[C@@H]32)o1 ZINC000096082765 222016417 /nfs/dbraw/zinc/01/64/17/222016417.db2.gz NDUYPLZCLZBOSK-WBAXXEDZSA-N 1 1 350.459 1.926 40 0 FDABMO CCc1ccc(C[N@H+]2CCO[C@H]3C[C@@H](COCC(=O)N(C)C)C[C@@H]32)o1 ZINC000096082765 222016420 /nfs/dbraw/zinc/01/64/20/222016420.db2.gz NDUYPLZCLZBOSK-WBAXXEDZSA-N 1 1 350.459 1.926 40 0 FDABMO Cc1cnc(N2CCc3[nH+]c(N4CCCC4)nc(N(C)C)c3CC2)nc1 ZINC000096254598 222101201 /nfs/dbraw/zinc/10/12/01/222101201.db2.gz NVMQMBWAYDMIGF-UHFFFAOYSA-N 1 1 353.474 1.846 40 0 FDABMO O=C(c1csnn1)N1CC[C@]2(c3ccccc3)C[N@@H+](CCO)C[C@H]2C1 ZINC000096251795 222101751 /nfs/dbraw/zinc/10/17/51/222101751.db2.gz YHHZOOYRORRPJZ-MAUKXSAKSA-N 1 1 358.467 1.246 40 0 FDABMO CC(C)C(=O)N1CCC2(C[N@@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000096262532 222105241 /nfs/dbraw/zinc/10/52/41/222105241.db2.gz WYJDHGGWBWFSLN-OAQYLSRUSA-N 1 1 370.497 1.668 40 0 FDABMO COc1cc(N2C[C@@H]3C[C@H](C(=O)NCC4CC4)[N@@H+](C(C)C)[C@@H]3C2)ncn1 ZINC000096185749 222071165 /nfs/dbraw/zinc/07/11/65/222071165.db2.gz PKMSPPDAFPNPMH-ARFHVFGLSA-N 1 1 359.474 1.299 40 0 FDABMO COC[C@@H]1CCC2(CC[NH+](Cc3cccnc3)CC2)N1S(C)(=O)=O ZINC000096217429 222081210 /nfs/dbraw/zinc/08/12/10/222081210.db2.gz KPBUPADJQFYDMG-INIZCTEOSA-N 1 1 353.488 1.487 40 0 FDABMO CCS(=O)(=O)NC[C@H]1CCC[C@]2(CC[N@H+](Cc3cc(C)on3)C2)O1 ZINC000096216120 222082550 /nfs/dbraw/zinc/08/25/50/222082550.db2.gz OYCAJOITBMBJNB-HZPDHXFCSA-N 1 1 357.476 1.436 40 0 FDABMO CCS(=O)(=O)NC[C@H]1CCC[C@]2(CC[N@@H+](Cc3cc(C)on3)C2)O1 ZINC000096216120 222082552 /nfs/dbraw/zinc/08/25/52/222082552.db2.gz OYCAJOITBMBJNB-HZPDHXFCSA-N 1 1 357.476 1.436 40 0 FDABMO CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@@H]4CC[N@@H+](C)C4)ncc3C2)CC1 ZINC000100748459 222251975 /nfs/dbraw/zinc/25/19/75/222251975.db2.gz LKRLJWKRLBKTBE-INMHGKMJSA-N 1 1 358.486 1.986 40 0 FDABMO CCC[C@H](c1nnnn1Cc1ccc(OC)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000004355735 518296117 /nfs/dbraw/zinc/29/61/17/518296117.db2.gz QMLMJSKTQYMHTC-QGZVFWFLSA-N 1 1 372.473 1.769 40 0 FDABMO CCOC(=O)c1ccc(NC(=O)C[C@H]2[NH2+][C@H]3CCCC[C@H]3NC2=O)cc1 ZINC000004503962 518301043 /nfs/dbraw/zinc/30/10/43/518301043.db2.gz VLIXPVZDBZWYJY-ARFHVFGLSA-N 1 1 359.426 1.591 40 0 FDABMO COc1ccc(NC[C@@H](O)C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000005702849 518353343 /nfs/dbraw/zinc/35/33/43/518353343.db2.gz UHVCHBZRTZMATO-SOLBZPMBSA-N 1 1 369.465 1.749 40 0 FDABMO C[NH+](C)C[C@@H]1COc2ccccc2CN1C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000012366170 518607791 /nfs/dbraw/zinc/60/77/91/518607791.db2.gz CRRYRFUXSBNMAT-GDBMZVCRSA-N 1 1 366.483 1.163 40 0 FDABMO COc1ccccc1C[N@H+]1CCc2nc(N3CCOCC3)[nH]c(=O)c2CC1 ZINC000019570698 518819005 /nfs/dbraw/zinc/81/90/05/518819005.db2.gz HJMRJJARJGUNMC-UHFFFAOYSA-N 1 1 370.453 1.216 40 0 FDABMO CCc1ccccc1NC(=O)CSC1=[NH+][C@@H]2CS(=O)(=O)C[C@@H]2N1C ZINC000032508621 519509972 /nfs/dbraw/zinc/50/99/72/519509972.db2.gz WLDDFPBVPHHBPD-KGLIPLIRSA-N 1 1 367.496 1.388 40 0 FDABMO Cc1ccc(C)c(NC(=O)CSC2=[NH+][C@H]3CS(=O)(=O)C[C@H]3N2C)c1 ZINC000032508637 519511172 /nfs/dbraw/zinc/51/11/72/519511172.db2.gz IPMYUXHNRNMXQE-UONOGXRCSA-N 1 1 367.496 1.442 40 0 FDABMO CC(=O)N1CC[N@H+](Cc2cccnc2)C[C@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355081 522222362 /nfs/dbraw/zinc/22/23/62/522222362.db2.gz YOTPFZIMBQLIBQ-SFHVURJKSA-N 1 1 368.485 1.461 40 0 FDABMO CC(=O)N1CC[N@@H+](Cc2cccnc2)C[C@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355081 522222372 /nfs/dbraw/zinc/22/23/72/522222372.db2.gz YOTPFZIMBQLIBQ-SFHVURJKSA-N 1 1 368.485 1.461 40 0 FDABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4cnc(C)nc4)C[C@H]32)c(OC)n1 ZINC000072392625 522230961 /nfs/dbraw/zinc/23/09/61/522230961.db2.gz PVVHYVRPNYDBPF-ZSZQSSIHSA-N 1 1 371.441 1.322 40 0 FDABMO CC(C)c1ccc(C[NH+]2CCN(C(=O)CN(C)S(C)(=O)=O)CC2)cc1 ZINC000046150809 522235188 /nfs/dbraw/zinc/23/51/88/522235188.db2.gz GTZIHQRKBXLQDR-UHFFFAOYSA-N 1 1 367.515 1.346 40 0 FDABMO O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccccc2F)[C@@H]1O)Nc1ccccc1 ZINC000077265184 523279047 /nfs/dbraw/zinc/27/90/47/523279047.db2.gz GAXGORLXIDMIBW-KURKYZTESA-N 1 1 359.401 1.865 40 0 biogenic,in-vitro FDABMO Cn1c2ccccc2n(CC(=O)N2CCC[C@@H]3[N@@H+](C)CCC[C@@]32C)c1=O ZINC000257240185 534713220 /nfs/dbraw/zinc/71/32/20/534713220.db2.gz HSMANCYLWYJLRE-PXNSSMCTSA-N 1 1 356.470 1.815 40 0 FDABMO COc1ccc(CN2C(=O)CO[C@H]3C[N@@H+](C4CCN(C)CC4)C[C@H]32)cc1 ZINC000067897221 523626774 /nfs/dbraw/zinc/62/67/74/523626774.db2.gz GWUVSEVQBYRVGR-MOPGFXCFSA-N 1 1 359.470 1.201 40 0 biogenic,in-vitro FDABMO COc1ccc(CN2C(=O)CO[C@H]3CN(C4CC[NH+](C)CC4)C[C@H]32)cc1 ZINC000067897221 523626783 /nfs/dbraw/zinc/62/67/83/523626783.db2.gz GWUVSEVQBYRVGR-MOPGFXCFSA-N 1 1 359.470 1.201 40 0 biogenic,in-vitro FDABMO Cc1ccsc1[C@H]1C(C(=O)N2CC[NH+](C)CC2)=C(C)Nc2ncnn21 ZINC000054672265 523676630 /nfs/dbraw/zinc/67/66/30/523676630.db2.gz OFDFKWZAZARENL-CQSZACIVSA-N 1 1 358.471 1.711 40 0 FDABMO Cc1cccc(N(CCCC(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)c1C ZINC000113962676 524730207 /nfs/dbraw/zinc/73/02/07/524730207.db2.gz HPFFOGYCXSXGIW-UHFFFAOYSA-N 1 1 367.515 1.624 40 0 FDABMO 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534502777 /nfs/dbraw/zinc/50/27/77/534502777.db2.gz HDGMLDVNDMUENL-VQIMIIECSA-N 1 1 359.426 1.334 40 0 FDABMO COc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc3c(c2)OCCO3)cc1OC ZINC000072227676 522202878 /nfs/dbraw/zinc/20/28/78/522202878.db2.gz GKHIIJWFRSSHBW-QZTJIDSGSA-N 1 1 356.378 1.890 40 0 FDABMO CN(C)c1cc(C[C@H]2CN(C(=O)Cc3ccccc3)CC[N@@H+](C)C2)ncn1 ZINC000072355093 522225166 /nfs/dbraw/zinc/22/51/66/522225166.db2.gz KKFVSVBALRQGLN-GOSISDBHSA-N 1 1 367.497 1.718 40 0 FDABMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000059320006 522337665 /nfs/dbraw/zinc/33/76/65/522337665.db2.gz FMXGHKLNASYUMF-NSHDSACASA-N 1 1 350.385 1.181 40 0 FDABMO CN(C)C(=O)[C@@]12CCC3(CCN(C(=O)c4ccccn4)CC3)[C@@H]1C[N@@H+](C)C2 ZINC000096036292 525123390 /nfs/dbraw/zinc/12/33/90/525123390.db2.gz UNKCMRPOAVTHJI-LAUBAEHRSA-N 1 1 370.497 1.734 40 0 FDABMO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2Cc2cnc(N(C)C)nc2)n1 ZINC000257254689 526813616 /nfs/dbraw/zinc/81/36/16/526813616.db2.gz KEGLZCWYMMQOLA-GOSISDBHSA-N 1 1 354.458 1.911 40 0 FDABMO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2Cc2cnc(N(C)C)nc2)n1 ZINC000257254689 526813620 /nfs/dbraw/zinc/81/36/20/526813620.db2.gz KEGLZCWYMMQOLA-GOSISDBHSA-N 1 1 354.458 1.911 40 0 FDABMO CC(C)NC(=O)c1nnc2n1C[C@H]1C[N@H+](Cc3ccccc3F)C[C@@H]1C2 ZINC000306144774 527730479 /nfs/dbraw/zinc/73/04/79/527730479.db2.gz ZOGCBYBKQNQKTK-LSDHHAIUSA-N 1 1 357.433 1.860 40 0 FDABMO CC[N@@H+](Cc1ccncc1)C[C@]1(O)CCN(C(=O)c2cn(C)nc2C)C1 ZINC000257308637 528860983 /nfs/dbraw/zinc/86/09/83/528860983.db2.gz TXMMVGHPWKINDS-LJQANCHMSA-N 1 1 357.458 1.223 40 0 FDABMO CN(C)S(=O)(=O)N1CC[N@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000247937440 537158263 /nfs/dbraw/zinc/15/82/63/537158263.db2.gz HGEAQABILSIRGN-MRXNPFEDSA-N 1 1 366.531 1.607 40 0 FDABMO C[C@@H]1CCCCN1CC(=O)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000248048314 537164421 /nfs/dbraw/zinc/16/44/21/537164421.db2.gz AKUAVLAEVFBKNY-CVEARBPZSA-N 1 1 357.502 1.703 40 0 FDABMO Cn1nccc1C(=O)N1CC2(C1)C[C@H](COc1ccccn1)CC[N@@H+]2C ZINC000248103089 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YKEVTFOPGHIJID-DFQSSKMNSA-N 1 1 359.514 1.466 40 0 FDABMO O[C@H]1CC[N@@H+](CC2(O)CCCC2)C[C@]1(O)COc1ccc(F)c(F)c1 ZINC000585287890 551579789 /nfs/dbraw/zinc/57/97/89/551579789.db2.gz UOWOEIDKFOEHQV-WMZOPIPTSA-N 1 1 357.397 1.446 40 0 FDABMO CC(C)C(=O)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3ccc(F)cc3)C2)C1 ZINC000514289148 560033260 /nfs/dbraw/zinc/03/32/60/560033260.db2.gz IQQCIULOYOMPQE-ZWKOTPCHSA-N 1 1 361.461 1.314 40 0 biogenic,in-vitro FDABMO CC(C)C(=O)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3ccc(F)cc3)C2)C1 ZINC000514289148 560033262 /nfs/dbraw/zinc/03/32/62/560033262.db2.gz IQQCIULOYOMPQE-ZWKOTPCHSA-N 1 1 361.461 1.314 40 0 biogenic,in-vitro FDABMO CC(=O)N1CCC([N@H+]2C[C@@H]3[C@H](C2)Oc2cc(F)ccc2C(=O)N3C)CC1 ZINC000514288644 560034381 /nfs/dbraw/zinc/03/43/81/560034381.db2.gz LGFWMKDSSSCEGH-AEFFLSMTSA-N 1 1 361.417 1.354 40 0 biogenic,in-vitro FDABMO Cc1nn(C)cc1C[N@H+]1CCc2c(=O)[nH]c(N3C[C@H](C)O[C@@H](C)C3)nc2C1 ZINC000257203281 571202559 /nfs/dbraw/zinc/20/25/59/571202559.db2.gz 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223113535 /nfs/dbraw/zinc/11/35/35/223113535.db2.gz ULSDSZQHHAEPOY-NVXWUHKLSA-N 1 1 370.428 1.573 40 0 FDABMO COc1cc(N2CC3(C2)C[C@@H](COc2ncccc2F)CC[N@H+]3C)ncn1 ZINC000306141505 223113823 /nfs/dbraw/zinc/11/38/23/223113823.db2.gz VYKQCRZDIWDTBX-AWEZNQCLSA-N 1 1 373.432 1.999 40 0 FDABMO O=c1c(=O)n(CC2CCC2)nc2n1C[C@H]1C[N@@H+](Cc3ccsc3)C[C@H]21 ZINC000306143402 223114131 /nfs/dbraw/zinc/11/41/31/223114131.db2.gz YBNNLUUJBNTOQX-CABCVRRESA-N 1 1 358.467 1.496 40 0 FDABMO O[C@@H]1[C@@H]([NH+]2CCCCC2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1cnc2ccccc2c1 ZINC000012489837 220001105 /nfs/dbraw/zinc/00/11/05/220001105.db2.gz UWRVWIGRLKRDSI-SSSFQFABSA-N 1 1 369.465 1.664 40 0 biogenic,in-vitro FDABMO O=C(C1CC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019014628 220233192 /nfs/dbraw/zinc/23/31/92/220233192.db2.gz YEXUSRSFQHHFNI-CQSZACIVSA-N 1 1 356.470 1.797 40 0 FDABMO COCCOc1ccc(C[N@H+]2CCc3nc(C)[nH]c(=O)c3CC2)cc1OC ZINC000019286431 220247318 /nfs/dbraw/zinc/24/73/18/220247318.db2.gz 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222079459 /nfs/dbraw/zinc/07/94/59/222079459.db2.gz HYLODRNGBFVRFZ-MRXNPFEDSA-N 1 1 371.528 1.313 40 0 FDABMO CN(C)C(=O)C[N@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000096215341 222079461 /nfs/dbraw/zinc/07/94/61/222079461.db2.gz HYLODRNGBFVRFZ-MRXNPFEDSA-N 1 1 371.528 1.313 40 0 FDABMO CC(C)C[N@H+]1CCNC(=O)C12CCN(C(=O)c1ccc3c(c1)OCO3)CC2 ZINC000096230184 222090639 /nfs/dbraw/zinc/09/06/39/222090639.db2.gz VMMVCNUMRVGTTI-UHFFFAOYSA-N 1 1 373.453 1.478 40 0 FDABMO CCN1C[C@]2(CC1=O)CN(C(=O)C(C)C)CC[N@H+](Cc1cccnc1)C2 ZINC000097952791 222217975 /nfs/dbraw/zinc/21/79/75/222217975.db2.gz GEPUCHWJSJVZSX-HXUWFJFHSA-N 1 1 358.486 1.620 40 0 FDABMO CCN1C[C@]2(CC1=O)CN(C(=O)C(C)C)CC[N@@H+](Cc1cccnc1)C2 ZINC000097952791 222217978 /nfs/dbraw/zinc/21/79/78/222217978.db2.gz GEPUCHWJSJVZSX-HXUWFJFHSA-N 1 1 358.486 1.620 40 0 FDABMO CCOc1cc(CCC(=O)N2CCN(c3cc(C)[nH+]c(C)n3)CC2)on1 ZINC000012275610 518599834 /nfs/dbraw/zinc/59/98/34/518599834.db2.gz RBNXTUWAMORMHL-UHFFFAOYSA-N 1 1 359.430 1.762 40 0 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359.470 1.604 40 0 FDABMO NCC1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 ZINC000218156244 537461545 /nfs/dbraw/zinc/46/15/45/537461545.db2.gz PLNOAWJXJULBTK-DLBZAZTESA-N 1 1 360.435 1.259 40 0 FDABMO O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCC[NH+]2CCCCC2)cc1 ZINC000225084687 537542426 /nfs/dbraw/zinc/54/24/26/537542426.db2.gz GYEJLXJYUNLKHW-UHFFFAOYSA-N 1 1 365.455 1.104 40 0 FDABMO OCCOc1cccc(C[N@@H+]2CCO[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000585272121 551576377 /nfs/dbraw/zinc/57/63/77/551576377.db2.gz LDJPHEZFZVAAHG-NRFANRHFSA-N 1 1 357.450 1.864 40 0 FDABMO OCCOc1cccc(C[N@H+]2CCO[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000585272121 551576379 /nfs/dbraw/zinc/57/63/79/551576379.db2.gz LDJPHEZFZVAAHG-NRFANRHFSA-N 1 1 357.450 1.864 40 0 FDABMO O=C(CC[NH+]1CCOCC1)N1CC[C@H](Cc2ccc(F)cc2)[C@@H](O)C1 ZINC000585280781 551578205 /nfs/dbraw/zinc/57/82/05/551578205.db2.gz OVVAMEHLAFITIP-AEFFLSMTSA-N 1 1 350.434 1.300 40 0 FDABMO OC1(C[N@H+]2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CCCCC1 ZINC000585279369 551578281 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1.900 40 0 FDABMO CNC(=O)c1cc2c(nc1NCC(C)C)CC[N@@H+](Cc1cnn(C)c1)CC2 ZINC000096260486 222102906 /nfs/dbraw/zinc/10/29/06/222102906.db2.gz AUMUABPZXUDTHZ-UHFFFAOYSA-N 1 1 370.501 1.843 40 0 FDABMO COCC(=O)N1CCC2(CC[C@@]3(C(=O)N4CCCC4)C[N@@H+](C)C[C@@H]23)CC1 ZINC000096143855 222047342 /nfs/dbraw/zinc/04/73/42/222047342.db2.gz UWEIHWZOARGDCO-OXJNMPFZSA-N 1 1 363.502 1.206 40 0 FDABMO CO[C@H]1CCN(C(=O)c2cnn(C)c2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096207957 222078444 /nfs/dbraw/zinc/07/84/44/222078444.db2.gz UIQLKBBKQPAMHC-KSZLIROESA-N 1 1 355.442 1.177 40 0 FDABMO Cc1cccc(C[N@@H+]2Cc3cncn3C[C@@H](COCC(=O)N(C)C)C2)c1 ZINC000096217324 222082166 /nfs/dbraw/zinc/08/21/66/222082166.db2.gz PFJBAJKEFXHNQW-SFHVURJKSA-N 1 1 356.470 1.928 40 0 FDABMO CO[C@@H]1CCN(C(=O)c2ccncn2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096219979 222084390 /nfs/dbraw/zinc/08/43/90/222084390.db2.gz YPLCJLOUCKKRPM-CGTJXYLNSA-N 1 1 353.426 1.233 40 0 FDABMO 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571162872 /nfs/dbraw/zinc/16/28/72/571162872.db2.gz YDRCSSSIAHEYFU-IBGZPJMESA-N 1 1 358.417 1.633 40 0 FDABMO Nc1cccc(-c2cn(C[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C(=O)NC3CC3)nn2)c1 ZINC000008254387 291043521 /nfs/dbraw/zinc/04/35/21/291043521.db2.gz NSMFWXYIQSSGPV-VHSSKADRSA-N 1 1 366.469 1.516 40 0 biogenic,in-vitro FDABMO CCC[N@H+]1C[C@@H](NS(=O)(=O)NCC)C[C@@H]2Cc3c(O)cccc3C[C@H]21 ZINC000005834183 204226492 /nfs/dbraw/zinc/22/64/92/204226492.db2.gz XCDFVBVOIJGRJN-HLLBOEOZSA-N 1 1 367.515 1.404 40 0 world FDABMO COc1ccc(C2(O)CC[NH+](CC(=O)NC(C)(C)C)CC2)c(OC)c1 ZINC000004985090 206185912 /nfs/dbraw/zinc/18/59/12/206185912.db2.gz UVUDEZUGASWSKO-UHFFFAOYSA-N 1 1 350.459 1.902 40 0 FDABMO CC1CC[NH+](CC(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000004968592 206187002 /nfs/dbraw/zinc/18/70/02/206187002.db2.gz PBDIMGYCWCHOGE-UHFFFAOYSA-N 1 1 351.472 1.798 40 0 FDABMO CN(C)CN1c2ccccc2[C@]2(NC(=[NH2+])Nc3nc4ccccc4n32)C1=O ZINC000014608230 206312997 /nfs/dbraw/zinc/31/29/97/206312997.db2.gz 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CLEIHIUIIPHFGU-KRWDZBQOSA-N 1 1 356.474 1.954 40 0 FDABMO CCC[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCC(C(N)=O)CC1 ZINC000004875306 518317202 /nfs/dbraw/zinc/31/72/02/518317202.db2.gz CLEIHIUIIPHFGU-QGZVFWFLSA-N 1 1 356.474 1.954 40 0 FDABMO COc1cccc([C@@H]2C[NH2+]C[C@H]2c2cc(=O)[nH]c(NCCN(C)C)n2)c1 ZINC000012325629 518604751 /nfs/dbraw/zinc/60/47/51/518604751.db2.gz ATSNAYSCLDWMBE-JKSUJKDBSA-N 1 1 357.458 1.635 40 0 FDABMO O=C(C[N@H+]1CCC[C@H]1Cn1cccn1)N1CCN(c2ccc(F)cc2)CC1 ZINC000019657989 518822912 /nfs/dbraw/zinc/82/29/12/518822912.db2.gz QEVFBJMOFLMRFL-IBGZPJMESA-N 1 1 371.460 1.835 40 0 FDABMO CC[N@@H+](C)[C@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C2(C1)CCCCC2 ZINC000019703937 518825659 /nfs/dbraw/zinc/82/56/59/518825659.db2.gz LQTBQTIFOMFCCT-CQSZACIVSA-N 1 1 364.490 1.572 40 0 FDABMO COc1cccc([C@H](c2nnnn2C(C)(C)C)N2CC[NH+](C)CC2)c1OC ZINC000020139792 518845453 /nfs/dbraw/zinc/84/54/53/518845453.db2.gz SLIREPWZVRNILY-MRXNPFEDSA-N 1 1 374.489 1.782 40 0 FDABMO 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GRQFEEYERRRDHL-FQEVSTJZSA-N 1 1 355.438 1.927 40 0 FDABMO Cc1[nH+]ccn1CCC(=O)N1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000012116294 518588454 /nfs/dbraw/zinc/58/84/54/518588454.db2.gz CKWUHQHGHLQHMR-UHFFFAOYSA-N 1 1 354.410 1.723 40 0 FDABMO Cc1nc(CN2C[C@H]3C[N@H+](Cc4ccncc4)C[C@H]3S2(=O)=O)cs1 ZINC000306143377 534369478 /nfs/dbraw/zinc/36/94/78/534369478.db2.gz YASSUXNSMDKXHX-GDBMZVCRSA-N 1 1 364.496 1.493 40 0 FDABMO Cc1nc(CN2C[C@H]3C[N@@H+](Cc4ccncc4)C[C@H]3S2(=O)=O)cs1 ZINC000306143377 534369481 /nfs/dbraw/zinc/36/94/81/534369481.db2.gz YASSUXNSMDKXHX-GDBMZVCRSA-N 1 1 364.496 1.493 40 0 FDABMO O[C@H](C[NH+]1CCN(c2cnccn2)CC1)c1ccc2c(c1)OCCCO2 ZINC000019345607 518808609 /nfs/dbraw/zinc/80/86/09/518808609.db2.gz IQDBEVPYJIKEID-MRXNPFEDSA-N 1 1 356.426 1.494 40 0 FDABMO COCC[NH+]1CCN(c2nc(CCc3c(C)n[nH]c3C)cc(=O)[nH]2)CC1 ZINC000019578999 518819269 /nfs/dbraw/zinc/81/92/69/518819269.db2.gz LWCWOVMKONXZDR-UHFFFAOYSA-N 1 1 360.462 1.076 40 0 FDABMO COCC[NH+]1CCN(c2nc(Cc3ccc(OC)cc3)cc(=O)[nH]2)CC1 ZINC000019593435 518820618 /nfs/dbraw/zinc/82/06/18/518820618.db2.gz DMGXWSIIDBNIKB-UHFFFAOYSA-N 1 1 358.442 1.550 40 0 FDABMO CN1CCN(c2cc(C(=O)NC(C)(C)C[NH+]3CCCCC3)ccn2)CC1 ZINC000019662589 518824206 /nfs/dbraw/zinc/82/42/06/518824206.db2.gz CFGQTLVRCKVZJL-UHFFFAOYSA-N 1 1 359.518 1.828 40 0 FDABMO COc1ccc(OC)c([C@@H](c2nnnn2C(C)(C)C)N2CC[NH+](C)CC2)c1 ZINC000035290781 519602934 /nfs/dbraw/zinc/60/29/34/519602934.db2.gz NCZSGFDFHKEWJH-KRWDZBQOSA-N 1 1 374.489 1.782 40 0 FDABMO C[C@H](c1cccc(O)c1)N(C)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000069504629 521894724 /nfs/dbraw/zinc/89/47/24/521894724.db2.gz YPSDTMKUCWBABU-CQSZACIVSA-N 1 1 362.474 1.647 40 0 FDABMO COC(=O)c1cccc(NC(=S)NCCC[NH+]2CCOCC2)c1C ZINC000044663068 521980738 /nfs/dbraw/zinc/98/07/38/521980738.db2.gz SJNLDRRSZVMKOX-UHFFFAOYSA-N 1 1 351.472 1.790 40 0 FDABMO COc1cccc(N(CCCC(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)c1 ZINC000113968490 524730967 /nfs/dbraw/zinc/73/09/67/524730967.db2.gz KPXICFKORGRGKP-UHFFFAOYSA-N 1 1 369.487 1.015 40 0 FDABMO O=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000096043360 525124962 /nfs/dbraw/zinc/12/49/62/525124962.db2.gz VVZZDDMTOZQSFX-IXDOHACOSA-N 1 1 353.426 1.737 40 0 FDABMO CN(C)C(=O)COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1nccs1)C2 ZINC000096039760 525125246 /nfs/dbraw/zinc/12/52/46/525125246.db2.gz BBWJJVMWFKHJQI-YOEHRIQHSA-N 1 1 353.488 1.619 40 0 FDABMO CN(C)C(=O)COC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1nccs1)C2 ZINC000096039760 525125254 /nfs/dbraw/zinc/12/52/54/525125254.db2.gz BBWJJVMWFKHJQI-YOEHRIQHSA-N 1 1 353.488 1.619 40 0 FDABMO CN(C)C(=O)COC[C@]12CCCO[C@H]1CC[N@H+](Cc1nccs1)C2 ZINC000096039761 525125799 /nfs/dbraw/zinc/12/57/99/525125799.db2.gz BBWJJVMWFKHJQI-WMLDXEAASA-N 1 1 353.488 1.619 40 0 FDABMO CN(C)C(=O)COC[C@]12CCCO[C@H]1CC[N@@H+](Cc1nccs1)C2 ZINC000096039761 525125804 /nfs/dbraw/zinc/12/58/04/525125804.db2.gz BBWJJVMWFKHJQI-WMLDXEAASA-N 1 1 353.488 1.619 40 0 FDABMO C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(S(=O)(=O)C1CC1)CC2 ZINC000096048036 525128290 /nfs/dbraw/zinc/12/82/90/525128290.db2.gz XXJKOUWDIZPETJ-CQSZACIVSA-N 1 1 354.472 1.827 40 0 FDABMO CC(C)n1cc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@@H]3C2)cn1 ZINC000306123468 528565014 /nfs/dbraw/zinc/56/50/14/528565014.db2.gz AODHQLWZAFNRIE-CABCVRRESA-N 1 1 369.473 1.252 40 0 FDABMO O=C(NCC[C@@H]1C[N@@H+](CC2CCOCC2)Cc2ccnn21)c1cccnc1 ZINC000247469427 537121548 /nfs/dbraw/zinc/12/15/48/537121548.db2.gz DWRQFACSOIIFJB-GOSISDBHSA-N 1 1 369.469 1.882 40 0 FDABMO CS(=O)(=O)NC[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccc4ccccc4n3)C[C@H]12 ZINC000247509235 537127658 /nfs/dbraw/zinc/12/76/58/537127658.db2.gz HWKHFMBLILWTMU-QGPMSJSTSA-N 1 1 361.467 1.231 40 0 FDABMO O=C(NCCc1ccncc1)[C@H]1C[N@@H+](C2CCOCC2)Cc2ccnn21 ZINC000247517900 537128290 /nfs/dbraw/zinc/12/82/90/537128290.db2.gz WJYHKERXFVVRFG-GOSISDBHSA-N 1 1 355.442 1.173 40 0 FDABMO O=C(NCCc1ccncc1)[C@H]1C[N@H+](C2CCOCC2)Cc2ccnn21 ZINC000247517900 537128293 /nfs/dbraw/zinc/12/82/93/537128293.db2.gz WJYHKERXFVVRFG-GOSISDBHSA-N 1 1 355.442 1.173 40 0 FDABMO C[N@@H+]1CC[C@@H](COc2ccccn2)CC12CN(C(=O)c1ccnnc1)C2 ZINC000248126606 537167536 /nfs/dbraw/zinc/16/75/36/537167536.db2.gz LWSGPLRHBKVJLQ-OAHLLOKOSA-N 1 1 353.426 1.487 40 0 FDABMO C[N@H+]1CC[C@@H](COc2ccccn2)CC12CN(C(=O)c1ccnnc1)C2 ZINC000248126606 537167540 /nfs/dbraw/zinc/16/75/40/537167540.db2.gz LWSGPLRHBKVJLQ-OAHLLOKOSA-N 1 1 353.426 1.487 40 0 FDABMO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([N@@H+]3CCCC[C@H]3CCO)C2=O)cc1 ZINC000250505491 537245537 /nfs/dbraw/zinc/24/55/37/537245537.db2.gz MGDOWMYFYRADJK-DOTOQJQBSA-N 1 1 374.437 1.732 40 0 FDABMO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([N@H+]3CCCC[C@H]3CCO)C2=O)cc1 ZINC000250505491 537245542 /nfs/dbraw/zinc/24/55/42/537245542.db2.gz MGDOWMYFYRADJK-DOTOQJQBSA-N 1 1 374.437 1.732 40 0 FDABMO O=S1(=O)C[C@@H](O)[C@H]([NH2+]CCNC(c2ccccc2)c2ccccc2)C1 ZINC000575420418 550461833 /nfs/dbraw/zinc/46/18/33/550461833.db2.gz HSHNKSCGNSDQAO-QZTJIDSGSA-N 1 1 360.479 1.113 40 0 FDABMO Cn1cnc(C(=O)N2CC[N@H+]3C[C@H](OCc4ccccc4F)C[C@H]3C2)n1 ZINC000585107894 551572613 /nfs/dbraw/zinc/57/26/13/551572613.db2.gz CCPMPEPSLBZEKY-LSDHHAIUSA-N 1 1 359.405 1.070 40 0 FDABMO COc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCCO)cc2)cc1 ZINC000585262588 551575733 /nfs/dbraw/zinc/57/57/33/551575733.db2.gz XOZBFIYLRNJINB-QGZVFWFLSA-N 1 1 361.438 1.938 40 0 FDABMO Cc1cc(C)nc(Nc2nccnc2[C@H]2CCC[N@@H+](CC(=O)N(C)C)C2)n1 ZINC000585177440 551575899 /nfs/dbraw/zinc/57/58/99/551575899.db2.gz FIWDYHYOLGIGES-HNNXBMFYSA-N 1 1 369.473 1.895 40 0 FDABMO Cc1cc(C)nc(Nc2nccnc2[C@H]2CCC[N@H+](CC(=O)N(C)C)C2)n1 ZINC000585177440 551575903 /nfs/dbraw/zinc/57/59/03/551575903.db2.gz FIWDYHYOLGIGES-HNNXBMFYSA-N 1 1 369.473 1.895 40 0 FDABMO Cn1ccnc1COc1ccc(C[N@H+]2CCC[C@@]2(C)C(=O)NCCO)cc1 ZINC000585270754 551576451 /nfs/dbraw/zinc/57/64/51/551576451.db2.gz QBNPJTNSGWZHKW-FQEVSTJZSA-N 1 1 372.469 1.462 40 0 FDABMO CO[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@H]1Cc1cccc(F)c1 ZINC000585277353 551577506 /nfs/dbraw/zinc/57/75/06/551577506.db2.gz SNTGRXVWBZPPAZ-SJLPKXTDSA-N 1 1 350.434 1.564 40 0 FDABMO C[N@H+]1CCC[C@H](NC(=O)COc2ncccn2)[C@@H]1Cc1cccc(F)c1 ZINC000585280614 551578250 /nfs/dbraw/zinc/57/82/50/551578250.db2.gz LTGXGNGGYWDQSF-IRXDYDNUSA-N 1 1 358.417 1.816 40 0 FDABMO CNC(=O)[C@]1(C)C[N@@H+](CC2(O)CCN(c3cccc(C)c3)CC2)CCO1 ZINC000585283173 551578536 /nfs/dbraw/zinc/57/85/36/551578536.db2.gz CGDYOOLEWPZUOO-IBGZPJMESA-N 1 1 361.486 1.163 40 0 FDABMO CN(C)C(=O)c1ccc(C[N@H+]2C[C@H](c3ccc(F)cc3)[C@@H](O)[C@H]2CO)cc1 ZINC000585291832 551580336 /nfs/dbraw/zinc/58/03/36/551580336.db2.gz DWZOABPXGRHPOK-VAMGGRTRSA-N 1 1 372.440 1.849 40 0 FDABMO CC[NH+]1CCN(C(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)CC1 ZINC000409407859 570758470 /nfs/dbraw/zinc/75/84/70/570758470.db2.gz ALRCODZKAFDQRW-INIZCTEOSA-N 1 1 367.515 1.622 40 0 FDABMO Cc1[nH+]ccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NC(=O)Nc2ccc(F)cc2)[C@@H]1O ZINC000952844852 960131407 /nfs/dbraw/zinc/13/14/07/960131407.db2.gz NYJDXSPWRKEDML-DGXTUMSLSA-N 1 1 362.361 1.178 40 0 biogenic,in-vitro FDABMO C[N@H+]1CC[C@@H](COCc2cccnc2)CC12CN(C(=O)[C@@H]1CCOC1)C2 ZINC000306143389 529794445 /nfs/dbraw/zinc/79/44/45/529794445.db2.gz YAYHVFJPZKKEGW-SJLPKXTDSA-N 1 1 359.470 1.558 40 0 FDABMO Cc1nn(C)c(C)c1CC(=O)NCc1cnc(C)nc1[C@@H]1CCC[N@H+]1C ZINC000257216625 223024165 /nfs/dbraw/zinc/02/41/65/223024165.db2.gz CVKZGQPEHKBOBC-KRWDZBQOSA-N 1 1 356.474 1.761 40 0 FDABMO C[C@@]1(O)CC[N@H+](Cc2ncccc2F)C[C@H]1n1cnc2c1ncnc2N ZINC000257221672 223026925 /nfs/dbraw/zinc/02/69/25/223026925.db2.gz DQBCAZXESRVHIW-CXAGYDPISA-N 1 1 357.393 1.141 40 0 FDABMO C[C@@]1(O)CC[N@@H+](Cc2ncccc2F)C[C@H]1n1cnc2c1ncnc2N ZINC000257221672 223026927 /nfs/dbraw/zinc/02/69/27/223026927.db2.gz DQBCAZXESRVHIW-CXAGYDPISA-N 1 1 357.393 1.141 40 0 FDABMO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCC[N@@H+](CCC(N)=O)C1 ZINC000257231768 223030847 /nfs/dbraw/zinc/03/08/47/223030847.db2.gz GICRUAJJHLDJTG-AWEZNQCLSA-N 1 1 372.473 1.869 40 0 FDABMO COCc1c(C)onc1C(=O)N1CCC[C@@H]1c1cncc(C[NH+](C)C)n1 ZINC000257242913 223034225 /nfs/dbraw/zinc/03/42/25/223034225.db2.gz IERXJGHFNXNSDA-MRXNPFEDSA-N 1 1 359.430 1.958 40 0 FDABMO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@]21c2cc(F)ccc2NC1=O ZINC000013575338 220076136 /nfs/dbraw/zinc/07/61/36/220076136.db2.gz XWLQFAKSDIEBEW-PGHPUMOWSA-N 1 1 371.412 1.851 40 0 FDABMO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21c2cc(F)ccc2NC1=O ZINC000013575338 220076138 /nfs/dbraw/zinc/07/61/38/220076138.db2.gz XWLQFAKSDIEBEW-PGHPUMOWSA-N 1 1 371.412 1.851 40 0 FDABMO CC(=O)NCCn1nc([C@H]2CC[N@@H+](Cc3ccncc3)C2)c2cccnc21 ZINC000019021870 220232979 /nfs/dbraw/zinc/23/29/79/220232979.db2.gz FPHNNZBHWWGEOJ-KRWDZBQOSA-N 1 1 364.453 1.952 40 0 FDABMO Cc1ccc(C(=O)N[C@@H](C)c2ccco2)c(N2CC[NH+](CCO)CC2)n1 ZINC000019134556 220237283 /nfs/dbraw/zinc/23/72/83/220237283.db2.gz LUJMGBVZIKODFG-HNNXBMFYSA-N 1 1 358.442 1.588 40 0 FDABMO Cc1ccnn1[C@@H](C)C(=O)N1CCC(c2ncc3c(n2)CC[N@H+](C)C3)CC1 ZINC000019238241 220243017 /nfs/dbraw/zinc/24/30/17/220243017.db2.gz XTPCSRBGJRJQMX-HNNXBMFYSA-N 1 1 368.485 1.937 40 0 FDABMO Cc1nn(CC(=O)N2CC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c(C)c1C ZINC000019556395 220271935 /nfs/dbraw/zinc/27/19/35/220271935.db2.gz MOZIJUBETXAQCN-INIZCTEOSA-N 1 1 368.485 1.602 40 0 FDABMO C[N@H+]1CCc2nc3cc(C(=O)NC4CCCCC4)ccc3c(=O)n2CC1 ZINC000019590759 220277147 /nfs/dbraw/zinc/27/71/47/220277147.db2.gz SSYMEGAGMNIWLV-UHFFFAOYSA-N 1 1 354.454 1.947 40 0 FDABMO C[N@@H+]1CCc2nc3cc(C(=O)NC4CCCCC4)ccc3c(=O)n2CC1 ZINC000019590759 220277154 /nfs/dbraw/zinc/27/71/54/220277154.db2.gz SSYMEGAGMNIWLV-UHFFFAOYSA-N 1 1 354.454 1.947 40 0 FDABMO Cn1c(=O)oc2cc(NC(=O)C[N@@H+]3CCC[C@@H]3Cn3cccn3)ccc21 ZINC000019658927 220283822 /nfs/dbraw/zinc/28/38/22/220283822.db2.gz HNMVRQPFPZWDIR-CQSZACIVSA-N 1 1 355.398 1.431 40 0 FDABMO Cn1c(=O)oc2cc(NC(=O)C[N@H+]3CCC[C@@H]3Cn3cccn3)ccc21 ZINC000019658927 220283827 /nfs/dbraw/zinc/28/38/27/220283827.db2.gz HNMVRQPFPZWDIR-CQSZACIVSA-N 1 1 355.398 1.431 40 0 FDABMO COc1cccc(C(=O)N2CC[C@H](C(=O)NCCn3cc[nH+]c3C)C2)c1 ZINC000019750213 220294086 /nfs/dbraw/zinc/29/40/86/220294086.db2.gz WKZHHOQUOIBDNH-INIZCTEOSA-N 1 1 356.426 1.479 40 0 FDABMO CCN1CC[NH+](C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@@H]32)CC1 ZINC000020411643 220326173 /nfs/dbraw/zinc/32/61/73/220326173.db2.gz RZJXEISZQFKAGA-AHBSSGKESA-N 1 1 362.514 1.909 40 0 FDABMO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@H]1c1ccccc1C ZINC000022587436 220391775 /nfs/dbraw/zinc/39/17/75/220391775.db2.gz JNMPIJGUGJAIAI-SFHVURJKSA-N 1 1 372.469 1.414 40 0 FDABMO Cc1ccc([C@@H]2C(C(=O)N3CC[NH+](C)CC3)=C(C)Nc3ncnn32)cc1 ZINC000054277962 221052107 /nfs/dbraw/zinc/05/21/07/221052107.db2.gz RXTMGHOLSTUHML-QGZVFWFLSA-N 1 1 352.442 1.649 40 0 FDABMO CCCN(C)C(=O)[C@@H]1C=C2c3cccc4c3[C@](O)(C[C@H]2[N@H+](C)C1)C(=O)N4 ZINC000065748324 221235618 /nfs/dbraw/zinc/23/56/18/221235618.db2.gz PSQLKUJBRLOLIQ-CBLJQSSYSA-N 1 1 355.438 1.412 40 0 in-vitro FDABMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@@H+](Cc1ccsc1)C2 ZINC000096050188 132217571 /nfs/dbraw/zinc/21/75/71/132217571.db2.gz XZERYHAVRGQEPY-LJQANCHMSA-N 1 1 370.478 1.983 40 0 FDABMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@H+](Cc1ccco1)C2 ZINC000096230516 132223184 /nfs/dbraw/zinc/22/31/84/132223184.db2.gz PFYHFSGVPJFHHW-LJQANCHMSA-N 1 1 354.410 1.514 40 0 FDABMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@@H+](Cc1ccco1)C2 ZINC000096230516 132223186 /nfs/dbraw/zinc/22/31/86/132223186.db2.gz PFYHFSGVPJFHHW-LJQANCHMSA-N 1 1 354.410 1.514 40 0 FDABMO CNC(=O)[C@]12C[N@@H+](Cc3c(C)noc3C)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251094 132224182 /nfs/dbraw/zinc/22/41/82/132224182.db2.gz TWIHWEWWNYQAQA-VQIMIIECSA-N 1 1 370.457 1.298 40 0 FDABMO CCc1ccc(C[N@H+]2CCc3ncnc(N4CCN(C)CC4)c3CC2)o1 ZINC000096255674 132224536 /nfs/dbraw/zinc/22/45/36/132224536.db2.gz NDSAPAMCGLAVIJ-UHFFFAOYSA-N 1 1 355.486 1.985 40 0 FDABMO COCC[N@H+]1C[C@H]2[C@@H](C1)N(C(=O)/C=C/c1cccs1)CC[C@@H]2OC ZINC000096111066 222029485 /nfs/dbraw/zinc/02/94/85/222029485.db2.gz WJORMRDMPBQCQM-IFNLBANCSA-N 1 1 350.484 1.955 40 0 FDABMO C[N@H+](Cc1ccco1)[C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]2CCCO[C@H]12 ZINC000096057151 222005176 /nfs/dbraw/zinc/00/51/76/222005176.db2.gz ZMUJNXBIPZSWHW-JQHSSLGASA-N 1 1 356.426 1.821 40 0 FDABMO C[N@@H+](Cc1ccco1)[C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]2CCCO[C@H]12 ZINC000096057151 222005178 /nfs/dbraw/zinc/00/51/78/222005178.db2.gz ZMUJNXBIPZSWHW-JQHSSLGASA-N 1 1 356.426 1.821 40 0 FDABMO CCOC(=O)[C@@]12CN(C(C)=O)C[C@@H]1C[N@@H+](CC1CCOCC1)CCC2 ZINC000096056019 222005453 /nfs/dbraw/zinc/00/54/53/222005453.db2.gz FDQDRZROZFSEOP-HKUYNNGSSA-N 1 1 352.475 1.537 40 0 FDABMO CCS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)s2)C[C@@H]2CCCO[C@H]12 ZINC000096057118 222005904 /nfs/dbraw/zinc/00/59/04/222005904.db2.gz QGZXBMYVGDSPPN-IMJJTQAJSA-N 1 1 358.529 1.975 40 0 FDABMO O=C(c1csnn1)N1CC[C@@]2(c3ccccc3)C[N@@H+](CCO)C[C@@H]2C1 ZINC000096251796 222102051 /nfs/dbraw/zinc/10/20/51/222102051.db2.gz YHHZOOYRORRPJZ-QAPCUYQASA-N 1 1 358.467 1.246 40 0 FDABMO CNC(=O)c1cc2c(nc1NCC1CC1)CC[N@@H+](Cc1cnn(C)c1)CC2 ZINC000096260547 222103620 /nfs/dbraw/zinc/10/36/20/222103620.db2.gz BMBPYEYLIBQYOF-UHFFFAOYSA-N 1 1 368.485 1.597 40 0 FDABMO COCC(=O)NC[C@@H]1CCC[C@]2(CC[N@@H+](Cc3scnc3C)C2)O1 ZINC000096206649 222076191 /nfs/dbraw/zinc/07/61/91/222076191.db2.gz ADWSXFSQKAWKSK-WMLDXEAASA-N 1 1 353.488 1.728 40 0 FDABMO O=C(N[C@H]1CCO[C@]2(CC[N@@H+](CC3CCOCC3)C2)C1)c1cccnc1 ZINC000096218401 222081861 /nfs/dbraw/zinc/08/18/61/222081861.db2.gz WOETXFVQSVKVEG-AZUAARDMSA-N 1 1 359.470 1.862 40 0 FDABMO CC[N@H+]1C[C@H]2[C@@H](C1)N(Cc1ccsc1)CC[C@@H]2OCC(=O)N(C)C ZINC000096217176 222082756 /nfs/dbraw/zinc/08/27/56/222082756.db2.gz FSTYMJNEWYIETH-BBWFWOEESA-N 1 1 351.516 1.748 40 0 FDABMO CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000096230564 222091034 /nfs/dbraw/zinc/09/10/34/222091034.db2.gz HOJKNIDHRBVSLI-HXUWFJFHSA-N 1 1 367.453 1.260 40 0 FDABMO CC(C)C[N@H+]1CCN(C)C(=O)C12CCN(C(=O)c1cscn1)CC2 ZINC000096230264 222091517 /nfs/dbraw/zinc/09/15/17/222091517.db2.gz UVEXZOMMYORNGG-UHFFFAOYSA-N 1 1 350.488 1.548 40 0 FDABMO CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@H]4CC[N@@H+](C)C4)ncc3C2)CC1 ZINC000100748460 222252229 /nfs/dbraw/zinc/25/22/29/222252229.db2.gz LKRLJWKRLBKTBE-YQQAZPJKSA-N 1 1 358.486 1.986 40 0 FDABMO CCS(=O)(=O)N1c2ccc(C(=O)N3CC[NH+](C)CC3)cc2C[C@@H]1C ZINC000020449187 263380663 /nfs/dbraw/zinc/38/06/63/263380663.db2.gz YDTUZYFQLIAGJY-ZDUSSCGKSA-N 1 1 351.472 1.175 40 0 FDABMO Cc1nc(C[N@@H+]2CC[C@H](O)[C@@H](n3cc(C)c(=O)[nH]c3=O)CC2)cs1 ZINC000257297662 534366747 /nfs/dbraw/zinc/36/67/47/534366747.db2.gz RIIRJEFZHUSZCF-KBPBESRZSA-N 1 1 350.444 1.220 40 0 FDABMO Cc1nc(C[N@H+]2CC[C@H](O)[C@@H](n3cc(C)c(=O)[nH]c3=O)CC2)cs1 ZINC000257297662 534366753 /nfs/dbraw/zinc/36/67/53/534366753.db2.gz RIIRJEFZHUSZCF-KBPBESRZSA-N 1 1 350.444 1.220 40 0 FDABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cnc(N3CCOCC3)nc2)C1 ZINC000012204875 518595885 /nfs/dbraw/zinc/59/58/85/518595885.db2.gz LUXSTWLDIYGNKG-IYBDPMFKSA-N 1 1 361.490 1.411 40 0 FDABMO O=C(NC[C@@H]1Cn2nccc2C[N@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000306130406 534610891 /nfs/dbraw/zinc/61/08/91/534610891.db2.gz JFGJOLDCVBQRSG-KRWDZBQOSA-N 1 1 362.437 1.735 40 0 FDABMO O=C(NC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000306130406 534610896 /nfs/dbraw/zinc/61/08/96/534610896.db2.gz JFGJOLDCVBQRSG-KRWDZBQOSA-N 1 1 362.437 1.735 40 0 FDABMO Cc1nccn1-c1cncc([C@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000072355544 522226405 /nfs/dbraw/zinc/22/64/05/522226405.db2.gz FYDPERZXNRSNLQ-INIZCTEOSA-N 1 1 370.457 1.009 40 0 FDABMO Cc1nccn1-c1cncc([C@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000072355544 522226417 /nfs/dbraw/zinc/22/64/17/522226417.db2.gz FYDPERZXNRSNLQ-INIZCTEOSA-N 1 1 370.457 1.009 40 0 FDABMO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2nccnc2-c2cccc(C(N)=O)c2)C1 ZINC000072358880 522226702 /nfs/dbraw/zinc/22/67/02/522226702.db2.gz SCZJQULQKISDJS-MRXNPFEDSA-N 1 1 367.453 1.510 40 0 FDABMO CCN1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CCCOC2)CC1 ZINC000171595949 526044777 /nfs/dbraw/zinc/04/47/77/526044777.db2.gz MDHBTYHTLVZSEW-LJQANCHMSA-N 1 1 360.502 1.802 40 0 FDABMO CC(=O)N1CC[C@@H](O)[C@H]2[C@H](c3ccccc3)C[N@H+](Cc3nccn3C)[C@@H]2C1 ZINC000257266013 526653081 /nfs/dbraw/zinc/65/30/81/526653081.db2.gz MBFWARLZIISGMD-PXCRPINLSA-N 1 1 368.481 1.617 40 0 FDABMO CC(=O)NCC(=O)N(C)C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1 ZINC000257208775 526714817 /nfs/dbraw/zinc/71/48/17/526714817.db2.gz BNOAIOQMTIYTPB-WKILWMFISA-N 1 1 363.506 1.350 40 0 FDABMO CCCCNC(=O)N1CC[C@]2(CCc3nc4c(c(=O)n32)C[N@@H+](C)CC4)C1 ZINC000306143962 528515257 /nfs/dbraw/zinc/51/52/57/528515257.db2.gz YRYWORHQUPQMOA-LJQANCHMSA-N 1 1 359.474 1.088 40 0 FDABMO CCCS(=O)(=O)N1CC2(C1)C[C@@H](COCc1ccncc1)CC[N@@H+]2C ZINC000306143270 528802869 /nfs/dbraw/zinc/80/28/69/528802869.db2.gz XXNBUUNETLRFAG-KRWDZBQOSA-N 1 1 367.515 1.734 40 0 FDABMO CCCS(=O)(=O)N1CC2(C1)C[C@@H](COCc1ccncc1)CC[N@H+]2C ZINC000306143270 528802872 /nfs/dbraw/zinc/80/28/72/528802872.db2.gz XXNBUUNETLRFAG-KRWDZBQOSA-N 1 1 367.515 1.734 40 0 FDABMO O=C(C[C@@H]1C[N@@H+](CC2CCOCC2)Cc2ccnn21)NCc1ccco1 ZINC000247864822 537154718 /nfs/dbraw/zinc/15/47/18/537154718.db2.gz OCOVWWZLLJCWCJ-QGZVFWFLSA-N 1 1 358.442 1.966 40 0 FDABMO COCC(=O)NC[C@@H]1Cn2nccc2C[N@H+](Cc2cccc(OC)c2)C1 ZINC000247875727 537155532 /nfs/dbraw/zinc/15/55/32/537155532.db2.gz GUXXJUOEKHIFJZ-INIZCTEOSA-N 1 1 358.442 1.286 40 0 FDABMO COCC(=O)NC[C@@H]1Cn2nccc2C[N@@H+](Cc2cccc(OC)c2)C1 ZINC000247875727 537155534 /nfs/dbraw/zinc/15/55/34/537155534.db2.gz GUXXJUOEKHIFJZ-INIZCTEOSA-N 1 1 358.442 1.286 40 0 FDABMO COC[C@@H]1CN(S(C)(=O)=O)CC12CC[NH+](Cc1nc(C)cs1)CC2 ZINC000247936707 537158528 /nfs/dbraw/zinc/15/85/28/537158528.db2.gz DUVZGDIIYSHNET-AWEZNQCLSA-N 1 1 373.544 1.572 40 0 FDABMO Cn1ccc(C(=O)N2CC3(C2)C[C@@H](COc2ccccn2)CC[N@@H+]3C)n1 ZINC000248165736 537169609 /nfs/dbraw/zinc/16/96/09/537169609.db2.gz ZRHMEXQUWCKOME-HNNXBMFYSA-N 1 1 355.442 1.431 40 0 FDABMO Cn1ccc(C(=O)N2CC3(C2)C[C@@H](COc2ccccn2)CC[N@H+]3C)n1 ZINC000248165736 537169611 /nfs/dbraw/zinc/16/96/11/537169611.db2.gz ZRHMEXQUWCKOME-HNNXBMFYSA-N 1 1 355.442 1.431 40 0 FDABMO CC(=O)NC1CCC([N@H+]2CC[C@@H](CO)N(C)c3nc(C)ccc3C2)CC1 ZINC000225495157 537550424 /nfs/dbraw/zinc/55/04/24/537550424.db2.gz FSNSFTKQUPLYOM-ACBHZAAOSA-N 1 1 360.502 1.840 40 0 biogenic,in-vitro FDABMO CS(=O)(=O)CCN1C[C@@]2(CCC[N@@H+](CC3CC(F)(F)C3)C2)C1=O ZINC000585099317 551570356 /nfs/dbraw/zinc/57/03/56/551570356.db2.gz CUTMYJQXLRSWFB-AWEZNQCLSA-N 1 1 350.431 1.001 40 0 FDABMO C[C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCN(C(=O)c2ncnn2C)CC3)C1 ZINC000585104830 551571786 /nfs/dbraw/zinc/57/17/86/551571786.db2.gz UAELPUBIUXSCRY-HOTGVXAUSA-N 1 1 361.490 1.558 40 0 FDABMO Cc1ccc(C)c(C[NH+]2CC3(C2)CC[C@@H](CNS(C)(=O)=O)CO3)c1 ZINC000585105380 551571905 /nfs/dbraw/zinc/57/19/05/551571905.db2.gz VQXMVPLRRGMBDS-INIZCTEOSA-N 1 1 352.500 1.834 40 0 FDABMO Cc1[nH+]ccn1CCCC(=O)N1CCO[C@@](CO)(Cc2ccccc2)C1 ZINC000585276944 551577525 /nfs/dbraw/zinc/57/75/25/551577525.db2.gz DYKZMOYKOMDMLN-FQEVSTJZSA-N 1 1 357.454 1.804 40 0 FDABMO CNC(=O)[C@@]1(C)C[N@@H+](CC2(O)CCN(c3ccc(C)cc3)CC2)CCO1 ZINC000585287445 551579303 /nfs/dbraw/zinc/57/93/03/551579303.db2.gz WZNAGEJOZNPBAK-LJQANCHMSA-N 1 1 361.486 1.163 40 0 FDABMO Cc1[nH+]ccn1CCC(=O)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC000585287885 551579783 /nfs/dbraw/zinc/57/97/83/551579783.db2.gz GPTVJGYVFFVNNE-NLWGTHIKSA-N 1 1 355.438 1.728 40 0 FDABMO C[NH+](C)C/C=C/C(=O)N1CCC[C@@H]1c1nccnc1Nc1ncccn1 ZINC000585291406 551580399 /nfs/dbraw/zinc/58/03/99/551580399.db2.gz CHMFEZJXKNCDLR-BTKRWWFXSA-N 1 1 353.430 1.792 40 0 FDABMO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](Cc2cccnc2)CC[C@@]1(C)O ZINC000514290202 560030386 /nfs/dbraw/zinc/03/03/86/560030386.db2.gz VLMZXPDIEFAUAC-PCCBWWKXSA-N 1 1 369.465 1.911 40 0 biogenic,in-vitro FDABMO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](Cc2cccnc2)CC[C@@]1(C)O ZINC000514290202 560030387 /nfs/dbraw/zinc/03/03/87/560030387.db2.gz 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0 FDABMO Cc1nc(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@H]4CO)C3)CC2)c[nH]1 ZINC000585105091 551572005 /nfs/dbraw/zinc/57/20/05/551572005.db2.gz XRRXORNKAFMJGF-HOTGVXAUSA-N 1 1 362.474 1.186 40 0 FDABMO Cc1ncc(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@H]4CO)C3)CC2)[nH]1 ZINC000585105091 551572008 /nfs/dbraw/zinc/57/20/08/551572008.db2.gz XRRXORNKAFMJGF-HOTGVXAUSA-N 1 1 362.474 1.186 40 0 FDABMO Cc1ncc(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@H]4CO)C3)CC2)[nH]1 ZINC000585105091 551572009 /nfs/dbraw/zinc/57/20/09/551572009.db2.gz XRRXORNKAFMJGF-HOTGVXAUSA-N 1 1 362.474 1.186 40 0 FDABMO O=C(c1ccc(O)cc1)N1CCC2(CO[C@@H](C[N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000585104593 551572067 /nfs/dbraw/zinc/57/20/67/551572067.db2.gz QVRYFAQCVALUAI-QZTJIDSGSA-N 1 1 360.454 1.470 40 0 FDABMO O=C(c1ccc(O)cc1)N1CCC2(CO[C@@H](C[N@@H+]3CCC[C@H]3CO)C2)CC1 ZINC000585105148 551572107 /nfs/dbraw/zinc/57/21/07/551572107.db2.gz ZOVURXNGYMSIRJ-PKOBYXMFSA-N 1 1 374.481 1.860 40 0 FDABMO COc1ccc(C[N@H+]2CCC[C@](O)(CCC(=O)N(C)C)C2)c(OC)c1 ZINC000585278233 551577859 /nfs/dbraw/zinc/57/78/59/551577859.db2.gz ODWQSWHCLKPFLK-IBGZPJMESA-N 1 1 350.459 1.899 40 0 FDABMO CC(C)[N@H+]1C[C@@H]2COCCN2C2(CN(C(=O)COc3ccccc3)C2)C1 ZINC000604381730 553870110 /nfs/dbraw/zinc/87/01/10/553870110.db2.gz LTLSSJJSOPVEDD-QGZVFWFLSA-N 1 1 359.470 1.071 40 0 biogenic,in-vitro FDABMO CC(C)[NH+]1CC2(C1)CN(C(=O)c1ccc(Cl)cc1)C[C@@H]1COCCN12 ZINC000604381738 553870470 /nfs/dbraw/zinc/87/04/70/553870470.db2.gz MHMPEIFKUZJGAK-QGZVFWFLSA-N 1 1 363.889 1.959 40 0 biogenic,in-vitro FDABMO O[C@H]1[C@H](CN2CCC(F)(F)CC2)OC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000514289122 560033122 /nfs/dbraw/zinc/03/31/22/560033122.db2.gz UWWVMMPOWFIDET-OKZBNKHCSA-N 1 1 352.425 1.603 40 0 biogenic,in-vitro FDABMO C[C@@]1(CO)C[N@@H+](Cc2ccccc2)C[C@@H]2CN(Cc3ccccn3)CCN21 ZINC000253406417 560040247 /nfs/dbraw/zinc/04/02/47/560040247.db2.gz ULMNNQLJYKSSPT-VXKWHMMOSA-N 1 1 366.509 1.835 40 0 biogenic,in-vitro FDABMO COc1cccc(S(=O)(=O)N(CCN(C)C)C2CC[NH+](C)CC2)c1F ZINC000655558396 809672442 /nfs/dbraw/zinc/67/24/42/809672442.db2.gz QNGWEGFXYJRLML-UHFFFAOYSA-N 1 1 373.494 1.481 40 0 FDABMO CCc1[nH+]ccn1CC(=O)NCc1cncc([C@H]2CCCN2C(C)=O)n1 ZINC000257330633 529759731 /nfs/dbraw/zinc/75/97/31/529759731.db2.gz XPGFYSSHCBPWFA-MRXNPFEDSA-N 1 1 356.430 1.235 40 0 FDABMO CNC(=O)C1CCN(C(=O)c2ccccc2-n2cnc(C[NH+](C)C)c2)CC1 ZINC000257258437 529842283 /nfs/dbraw/zinc/84/22/83/529842283.db2.gz KTVUCCAAEFZXKP-UHFFFAOYSA-N 1 1 369.469 1.532 40 0 FDABMO Nc1nccnc1C[C@H]1CCC[N@@H+](Cc2ccnc(N3CCCC3)n2)C1 ZINC000257226353 223028482 /nfs/dbraw/zinc/02/84/82/223028482.db2.gz FKIKRLIYMFMDRW-OAHLLOKOSA-N 1 1 353.474 1.904 40 0 FDABMO Cc1[nH+]ccn1CC(=O)N1CCO[C@H](CCc2ccnc(N(C)C)c2)C1 ZINC000257219000 223025186 /nfs/dbraw/zinc/02/51/86/223025186.db2.gz DFEYVORYLVUPJL-QGZVFWFLSA-N 1 1 357.458 1.513 40 0 FDABMO Cc1c2ccccc2oc1C(=O)N1CC[C@@](O)(CN2CC[NH+](C)CC2)C1 ZINC000257333457 223069759 /nfs/dbraw/zinc/06/97/59/223069759.db2.gz YBQPHNRCMBKFKT-HXUWFJFHSA-N 1 1 357.454 1.566 40 0 FDABMO O=C(NC[C@H]1CO[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]12)c1cnccn1 ZINC000306124785 223107700 /nfs/dbraw/zinc/10/77/00/223107700.db2.gz BZMOOWRKPNIROI-HDMKZQKVSA-N 1 1 356.401 1.493 40 0 FDABMO Cc1ncsc1C[N@H+]1C[C@@H]2Cn3c(nnc3C(=O)NC3CC3)C[C@@H]2C1 ZINC000306143764 223115076 /nfs/dbraw/zinc/11/50/76/223115076.db2.gz YLOBRHWSBGTYIZ-VXGBXAGGSA-N 1 1 358.471 1.240 40 0 FDABMO COc1cc(C)ccc1OCC(=O)N1CCC(O)(Cn2cc[nH+]c2C)CC1 ZINC000019134174 220237161 /nfs/dbraw/zinc/23/71/61/220237161.db2.gz UENLFDFIPGASPR-UHFFFAOYSA-N 1 1 373.453 1.941 40 0 FDABMO C[C@H](Cn1cccn1)C(=O)N1CCC(c2ncc3c(n2)CC[N@H+](C)C3)CC1 ZINC000019457550 220257690 /nfs/dbraw/zinc/25/76/90/220257690.db2.gz ZOVFVUYECUMXPQ-OAHLLOKOSA-N 1 1 368.485 1.703 40 0 FDABMO CCC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CC[NH+](C)CC1 ZINC000019501932 220262550 /nfs/dbraw/zinc/26/25/50/220262550.db2.gz IMXZCCMLTLTWFV-OAHLLOKOSA-N 1 1 358.446 1.539 40 0 FDABMO COC(=O)Cn1c(C)c(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@H]2C)c2ccccc21 ZINC000019581923 220276521 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CCN1CC[NH+](C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@H](O)[C@@H]32)CC1 ZINC000020411638 220326218 /nfs/dbraw/zinc/32/62/18/220326218.db2.gz RZJXEISZQFKAGA-RUNBYEGESA-N 1 1 362.514 1.909 40 0 FDABMO CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CC[N@H+](Cc1cccnc1)C2 ZINC000096230456 132223205 /nfs/dbraw/zinc/22/32/05/132223205.db2.gz ZFVBQXQZKUTBGC-OAQYLSRUSA-N 1 1 364.449 1.921 40 0 FDABMO CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CC[N@@H+](Cc1cccnc1)C2 ZINC000096230456 132223207 /nfs/dbraw/zinc/22/32/07/132223207.db2.gz ZFVBQXQZKUTBGC-OAQYLSRUSA-N 1 1 364.449 1.921 40 0 FDABMO O=C1CO[C@@]2(CN1c1ccc(F)cc1)COCC[N@H+](Cc1ccncc1)C2 ZINC000096240132 132223659 /nfs/dbraw/zinc/22/36/59/132223659.db2.gz ANZRSROJFBNYFD-FQEVSTJZSA-N 1 1 371.412 1.855 40 0 FDABMO O=C1CO[C@@]2(CN1c1ccc(F)cc1)COCC[N@@H+](Cc1ccncc1)C2 ZINC000096240132 132223660 /nfs/dbraw/zinc/22/36/60/132223660.db2.gz ANZRSROJFBNYFD-FQEVSTJZSA-N 1 1 371.412 1.855 40 0 FDABMO Cc1ccc(CC(=O)N[C@H](C)c2cc(=O)[nH]c(N3CC[NH+](C)CC3)n2)cc1 ZINC000019209915 136152254 /nfs/dbraw/zinc/15/22/54/136152254.db2.gz SRGFFVBFHSJJQK-OAHLLOKOSA-N 1 1 369.469 1.250 40 0 FDABMO Cc1ccc(C)c(C[N@H+]2CC[C@]3(C2)C[C@@H](NS(C)(=O)=O)CCO3)c1 ZINC000096107880 222025917 /nfs/dbraw/zinc/02/59/17/222025917.db2.gz VZUDKVFFFOMYFC-ZWKOTPCHSA-N 1 1 352.500 1.976 40 0 FDABMO CO[C@@H]1CCN(C(=O)c2ccccn2)[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000096108590 222026374 /nfs/dbraw/zinc/02/63/74/222026374.db2.gz OKQLJBCRHVVZLP-QXAKKESOSA-N 1 1 352.438 1.838 40 0 FDABMO CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1ccoc1)CCC2 ZINC000096056099 222004970 /nfs/dbraw/zinc/00/49/70/222004970.db2.gz DGUSHPBZKKATFN-PXNSSMCTSA-N 1 1 369.469 1.876 40 0 FDABMO C[NH+]1CCN([C@H]2COC3(C2)CCN(C(=O)Cc2cccnc2)CC3)CC1 ZINC000096074174 222011808 /nfs/dbraw/zinc/01/18/08/222011808.db2.gz NVSTYAJGYYOCNU-GOSISDBHSA-N 1 1 358.486 1.022 40 0 FDABMO CNC(=O)C[NH+]1CCC2(CC1)CN(C[C@@H]1CCCO1)C(=O)c1ccccc12 ZINC000096080091 222017641 /nfs/dbraw/zinc/01/76/41/222017641.db2.gz HMZYWILPFHWHOY-INIZCTEOSA-N 1 1 371.481 1.401 40 0 FDABMO Cc1ccc(C[N@@H+]2CCc3c(CNS(C)(=O)=O)nn(C)c3C2)s1 ZINC000096084211 222017797 /nfs/dbraw/zinc/01/77/97/222017797.db2.gz PUVCIWURFGFANI-UHFFFAOYSA-N 1 1 354.501 1.398 40 0 FDABMO Cc1ccc(C[N@H+]2CCc3c(CNS(C)(=O)=O)nn(C)c3C2)s1 ZINC000096084211 222017799 /nfs/dbraw/zinc/01/77/99/222017799.db2.gz PUVCIWURFGFANI-UHFFFAOYSA-N 1 1 354.501 1.398 40 0 FDABMO COC(=O)[C@@]12Oc3c4c(ccc3OC)C[C@H]3C(=CC=C1OC)[C@]42CC[N@H+]3C ZINC000096316385 222114178 /nfs/dbraw/zinc/11/41/78/222114178.db2.gz ROOZZSFGECGYSX-DLPLYFIVSA-N 1 1 369.417 1.968 40 0 biogenic,in-vitro FDABMO CC[N@H+]1CC[C@@]2(C(=O)Nc3cccnc3)CCN(C(=O)COC)CC[C@@H]12 ZINC000096145317 222047790 /nfs/dbraw/zinc/04/77/90/222047790.db2.gz UQTQUAOJVHHROP-VQIMIIECSA-N 1 1 360.458 1.370 40 0 FDABMO Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CCO[C@@H]3C2)c1 ZINC000096208849 222078825 /nfs/dbraw/zinc/07/88/25/222078825.db2.gz HLPHVXYTDQUPTL-ZWKOTPCHSA-N 1 1 355.442 1.097 40 0 FDABMO Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CCO[C@@H]3C2)c1 ZINC000096208849 222078828 /nfs/dbraw/zinc/07/88/28/222078828.db2.gz HLPHVXYTDQUPTL-ZWKOTPCHSA-N 1 1 355.442 1.097 40 0 FDABMO CC[N@H+]1C[C@H]2[C@@H](C1)N(Cc1cccs1)CC[C@H]2OCC(=O)N(C)C ZINC000096217070 222081343 /nfs/dbraw/zinc/08/13/43/222081343.db2.gz FSRGWMXORAUPEA-GVDBMIGSSA-N 1 1 351.516 1.748 40 0 FDABMO CCN1C[C@H]2[C@@H](C1)[N@H+](Cc1cccs1)CC[C@H]2OCC(=O)N(C)C ZINC000096217070 222081347 /nfs/dbraw/zinc/08/13/47/222081347.db2.gz FSRGWMXORAUPEA-GVDBMIGSSA-N 1 1 351.516 1.748 40 0 FDABMO CCN1C[C@H]2[C@@H](C1)[N@@H+](Cc1cccs1)CC[C@H]2OCC(=O)N(C)C ZINC000096217070 222081348 /nfs/dbraw/zinc/08/13/48/222081348.db2.gz FSRGWMXORAUPEA-GVDBMIGSSA-N 1 1 351.516 1.748 40 0 FDABMO Cc1cnc(CNC(=O)C2=NO[C@@]3(CC[N@@H+](CC4CCOCC4)C3)C2)cn1 ZINC000096225969 222087508 /nfs/dbraw/zinc/08/75/08/222087508.db2.gz CYAKDWWTDXWSEK-IBGZPJMESA-N 1 1 373.457 1.049 40 0 FDABMO CC[NH+]1CCN(C(=O)c2nnc3sc(-c4ccc(F)cc4)nn32)CC1 ZINC000057354669 263412300 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c1cnc(-c2cnc(NCCC[NH+]3CCOCC3)nc2[C@@H]2CCCO2)cn1 ZINC000072324900 522216483 /nfs/dbraw/zinc/21/64/83/522216483.db2.gz LFMBSYXGNZCPML-KRWDZBQOSA-N 1 1 370.457 1.919 40 0 FDABMO Cc1nc2cc(C(=O)N(C)[C@@H]3CC[C@@H]([NH+]4CCOCC4)[C@@H]3O)ccc2[nH]1 ZINC000257305451 534650092 /nfs/dbraw/zinc/65/00/92/534650092.db2.gz SQARHUWMAVAUTK-KZNAEPCWSA-N 1 1 358.442 1.167 40 0 FDABMO O=C(NCCC[NH+]1CCOCC1)c1ccn(-c2ccc3ccccn32)n1 ZINC000096038047 525124544 /nfs/dbraw/zinc/12/45/44/525124544.db2.gz SERYJBDTDMGGEW-UHFFFAOYSA-N 1 1 353.426 1.577 40 0 FDABMO Cn1cc(C[N@H+]2CC[C@H]3OCC[C@@H](C(=O)Nc4cccnc4)[C@@H]3C2)cn1 ZINC000096043365 525124912 /nfs/dbraw/zinc/12/49/12/525124912.db2.gz DPMVREPKDPCTHK-FGTMMUONSA-N 1 1 355.442 1.681 40 0 FDABMO COc1ccc2c3c1O[C@]1(C)[C@@H](OC(C)=O)[C@H](O)C=C4[C@@H](C2)[N@@H+](C)CC[C@@]341 ZINC000253504750 525618278 /nfs/dbraw/zinc/61/82/78/525618278.db2.gz LQIKGKFOKAXCRM-PHHSVIQHSA-N 1 1 371.433 1.577 40 0 biogenic,in-vitro FDABMO 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CCS(=O)(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccccc3C)C2)OC1 ZINC000585103828 551571799 /nfs/dbraw/zinc/57/17/99/551571799.db2.gz DCUMXSWERJWSMS-INIZCTEOSA-N 1 1 352.500 1.915 40 0 FDABMO CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585103961 551571883 /nfs/dbraw/zinc/57/18/83/551571883.db2.gz HQPODBYDFNPJGX-SFHVURJKSA-N 1 1 358.467 1.886 40 0 FDABMO O=C(c1ccc(O)cc1)N1CCC2(CO[C@@H](C[N@@H+]3CC[C@H](O)C3)C2)CC1 ZINC000585104595 551572240 /nfs/dbraw/zinc/57/22/40/551572240.db2.gz QVRYFAQCVALUAI-ZWKOTPCHSA-N 1 1 360.454 1.470 40 0 FDABMO CCS(=O)(=O)NC[C@@H]1CCC2(C[NH+](Cc3cccc(C)c3)C2)OC1 ZINC000585105485 551572505 /nfs/dbraw/zinc/57/25/05/551572505.db2.gz XQQPLLUSVJRJEN-KRWDZBQOSA-N 1 1 352.500 1.915 40 0 FDABMO COc1ccc(C[N@H+]2CCC[C@@](O)(CCC(=O)N(C)C)C2)c(OC)c1 ZINC000585278234 551577990 /nfs/dbraw/zinc/57/79/90/551577990.db2.gz ODWQSWHCLKPFLK-LJQANCHMSA-N 1 1 350.459 1.899 40 0 FDABMO CNC(=O)[C@@]1(C)C[N@@H+](CC2(O)CCN(c3cccc(C)c3)CC2)CCO1 ZINC000585283175 551578728 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KWZKGKUOMUEAIY-RTBURBONSA-N 1 1 355.482 1.113 40 0 biogenic,in-vitro FDABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NC(C)C ZINC000408709640 570661641 /nfs/dbraw/zinc/66/16/41/570661641.db2.gz VWJDHPCGYWHDOA-AWEZNQCLSA-N 1 1 360.458 1.364 40 0 FDABMO