smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCn1nc([C@@H]2CCN(C(=O)[C@H]3OCCc4ccccc43)C2)c2nccnc21 ZINC000019375438 204641222 /nfs/dbraw/zinc/64/12/22/204641222.db2.gz KRVHRECAGNVMNX-BEFAXECRSA-N 1 0 392.463 1.415 40 0 GDABRO C[C@@H]1Cc2cc(C(=O)N3CC[C@H](c4nn(CC[NH3+])c5nccnc45)C3)ccc2O1 ZINC000019497893 204647252 /nfs/dbraw/zinc/64/72/52/204647252.db2.gz AMBQADZMYVFCLC-HIFRSBDPSA-N 1 0 392.463 1.738 40 0 GDABRO O=C(Cc1ccc2c(c1)OCCCO2)N1CCc2nc([C@@H]3CC[NH2+]C3)ncc2C1 ZINC000019345713 204637529 /nfs/dbraw/zinc/63/75/29/204637529.db2.gz XZZJLPKGQYPHCJ-MRXNPFEDSA-N 1 0 394.475 1.842 40 0 GDABRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1N1CCCC1=O ZINC000038756338 205038705 /nfs/dbraw/zinc/03/87/05/205038705.db2.gz UVQRTMGLUXNVOT-UHFFFAOYSA-N 1 0 395.525 1.976 40 0 GDABRO COc1ccc(CN(C)CC(=O)N2CCn3c(nnc3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000072373956 205338649 /nfs/dbraw/zinc/33/86/49/205338649.db2.gz UFLKWMYJLHTNAN-KRWDZBQOSA-N 1 0 384.484 1.185 40 0 GDABRO COc1cccc(C(=O)NCCn2nc([C@@H]3CC[N@H+](C)C3)c3nccnc32)c1 ZINC000072391615 205342671 /nfs/dbraw/zinc/34/26/71/205342671.db2.gz MNXPMZWCDNYAIH-OAHLLOKOSA-N 1 0 380.452 1.684 40 0 GDABRO CC1CC[NH+](CCCNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)CC1 ZINC000224743754 206027352 /nfs/dbraw/zinc/02/73/52/206027352.db2.gz JZQIDJQIVHOXLN-UHFFFAOYSA-N 1 0 399.532 1.826 40 0 GDABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCC1)Cc1ccccc1Cl ZINC000225658102 206064788 /nfs/dbraw/zinc/06/47/88/206064788.db2.gz JLHGMTDQLZRYFU-UHFFFAOYSA-N 1 0 387.933 1.704 40 0 GDABRO CC[N@@H+]1C[C@]2(C)CC[C@H](OC)[C@]34[C@H]1[C@H]([C@@H](O)[C@@H]32)[C@@]1(O)CC[C@H]2C[C@@H]4[C@@H]1C(=O)O2 ZINC000030726642 206079815 /nfs/dbraw/zinc/07/98/15/206079815.db2.gz YPSAOPXJHSESSR-BXUXMRMYSA-N 1 0 391.508 1.185 40 0 biogenic,in-vitro GDABRO CCOc1cc(C(=O)N2CCC[C@@](O)(C[NH+]3CCOCC3)CC2)ccc1O ZINC000257285325 206173034 /nfs/dbraw/zinc/17/30/34/206173034.db2.gz PGQIAIWQYOMRAD-FQEVSTJZSA-N 1 0 378.469 1.480 40 0 GDABRO COCCN1C(=O)CC[C@@H](C(=O)N(C)CC[NH+](C)C)[C@@H]1c1cccc(OC)c1 ZINC000257327006 206179495 /nfs/dbraw/zinc/17/94/95/206179495.db2.gz WZLTUCJTGGKIRF-QUCCMNQESA-N 1 0 391.512 1.641 40 0 GDABRO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(=O)c(=O)n(CC4CC4)nc2CO3)c1 ZINC000306124061 206196612 /nfs/dbraw/zinc/19/66/12/206196612.db2.gz BENBKNUGZXHFIK-OAQYLSRUSA-N 1 0 382.464 1.298 40 0 GDABRO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2C[N@@H+](Cc4cccnc4)C[C@H]32)cc1 ZINC000306123738 206197875 /nfs/dbraw/zinc/19/78/75/206197875.db2.gz AVCSKQHIGXZHDQ-MOPGFXCFSA-N 1 0 389.459 1.386 40 0 GDABRO O=C(NC1CCC1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306133301 206201970 /nfs/dbraw/zinc/20/19/70/206201970.db2.gz MHXKAZGMKDXGHL-GJZGRUSLSA-N 1 0 395.463 1.593 40 0 GDABRO CS(=O)(=O)N1C[C@H](C(=O)NCCC[NH+]2CCCCC2)Oc2ccccc21 ZINC000044908125 132420643 /nfs/dbraw/zinc/42/06/43/132420643.db2.gz KSESHFSULOZYPR-QGZVFWFLSA-N 1 0 381.498 1.206 40 0 GDABRO CN1CCN(C(=O)c2c3ccccn3c3ncnc(N4CC[NH+](C)CC4)c23)CC1 ZINC000096146736 136184295 /nfs/dbraw/zinc/18/42/95/136184295.db2.gz GMGGWZSKRFFJAF-UHFFFAOYSA-N 1 0 393.495 1.022 40 0 GDABRO COCC[N@@H+]1CC2(CCN(C(=O)c3ccccc3C)CC2)[C@]2(CCNC2=O)C1 ZINC000096144165 570213487 /nfs/dbraw/zinc/21/34/87/570213487.db2.gz YXSMWDDVZTZPGF-JOCHJYFZSA-N 1 0 385.508 1.686 40 0 GDABRO CCn1nc(C)cc1C(=O)N1CCC[C@@]2(C[C@H](C[N@H+](C)CCOC)CO2)C1 ZINC000096228487 570221405 /nfs/dbraw/zinc/22/14/05/570221405.db2.gz PPQCYLCXUDVPOH-YLJYHZDGSA-N 1 0 378.517 1.801 40 0 GDABRO Cc1ncccc1NC(=O)[C@@H]1Cn2ccnc2C2(CC[NH+]([C@H]3CCOC3)CC2)O1 ZINC000096243891 570223674 /nfs/dbraw/zinc/22/36/74/570223674.db2.gz GZUMAQOOOKOYSU-WMZOPIPTSA-N 1 0 397.479 1.704 40 0 GDABRO Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@@](O)(CN3CCOCC3)C2)cc1 ZINC000585270364 570239430 /nfs/dbraw/zinc/23/94/30/570239430.db2.gz VMDMCXJSXZMHFA-OAQYLSRUSA-N 1 0 386.496 1.268 40 0 GDABRO O[C@@]1(C[NH2+]Cc2cccc(CN3CCOCC3)c2)CCCN(c2cnccn2)C1 ZINC000585274420 570243452 /nfs/dbraw/zinc/24/34/52/570243452.db2.gz WGAQSNDUVHPMRG-JOCHJYFZSA-N 1 0 397.523 1.430 40 0 GDABRO C[N@H+](CCc1ccccn1)C[C@@]1(O)CN(C(=O)CCc2ccccc2)CC[C@@H]1O ZINC000585286171 570255718 /nfs/dbraw/zinc/25/57/18/570255718.db2.gz WKYHAMYBGNAVJP-JTHBVZDNSA-N 1 0 397.519 1.513 40 0 GDABRO CCOc1ccc(C[NH2+]C[C@]2(O)CN(C(=O)c3ccccc3)CC[C@H]2O)cc1 ZINC000585290342 570258118 /nfs/dbraw/zinc/25/81/18/570258118.db2.gz QLGJTDQEGFVADJ-IRLDBZIGSA-N 1 0 384.476 1.813 40 0 GDABRO CS(=O)(=O)N1C[C@@H](C(=O)NCCC[NH+]2CCCCCC2)Oc2ccccc21 ZINC000022513771 570318996 /nfs/dbraw/zinc/31/89/96/570318996.db2.gz NZCWSZPYGVZLRL-SFHVURJKSA-N 1 0 395.525 1.596 40 0 GDABRO CCOc1cc(CNCC[NH2+]C[C@@H](C)O)ccc1OCC(=O)NC(C)(C)C ZINC000022075876 570321842 /nfs/dbraw/zinc/32/18/42/570321842.db2.gz UDSOZHDTFHGHIA-OAHLLOKOSA-N 1 0 381.517 1.439 40 0 GDABRO COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(C[NH+](C4CCCC4)C3)C2)cc1 ZINC000604381944 570353095 /nfs/dbraw/zinc/35/30/95/570353095.db2.gz WDCVVGORKPGHPT-LJQANCHMSA-N 1 0 385.508 1.849 40 0 biogenic,in-vitro GDABRO COCCOc1cc(C[NH2+]C[C@@]2(O)CCN(c3ncccn3)C2)ccc1OC ZINC000257334150 570487066 /nfs/dbraw/zinc/48/70/66/570487066.db2.gz YESNXLFMYUZYEP-FQEVSTJZSA-N 1 0 388.468 1.241 40 0 GDABRO Cc1cc(N2CC[C@](O)(C[NH2+]Cc3cccc(CN4CCOCC4)c3)C2)ncn1 ZINC000257250896 570488210 /nfs/dbraw/zinc/48/82/10/570488210.db2.gz JOMGYUBVIAARHN-QFIPXVFZSA-N 1 0 397.523 1.348 40 0 GDABRO c1nncn1N1CN=C2N[C@H]([C@@H]3CC=CCC3)n3c4ccccc4nc3N2C1 ZINC000013634026 570862090 /nfs/dbraw/zinc/86/20/90/570862090.db2.gz QYZDQCYZJMMBEB-PBHICJAKSA-N 1 0 375.440 1.815 40 0 GDABRO CC(=O)N[C@H]1C[N@@H+](C)C2(C1)CCN(C(=O)CCOc1cccc(F)c1)CC2 ZINC000019704214 570896664 /nfs/dbraw/zinc/89/66/64/570896664.db2.gz DBUVLFLUNCOIAK-QGZVFWFLSA-N 1 0 377.460 1.796 40 0 GDABRO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](C[N@@H+]3CC[C@H](O)C3)C2)CC1 ZINC000585103766 570928897 /nfs/dbraw/zinc/92/88/97/570928897.db2.gz JAIUJKVTWMACMO-ROUUACIJSA-N 1 0 394.537 1.621 40 0 GDABRO Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](C[N@@H+]4CC[C@H](O)C4)C3)CC2)cc1 ZINC000585103695 570929113 /nfs/dbraw/zinc/92/91/13/570929113.db2.gz IMJMRRACUZVVJM-AZUAARDMSA-N 1 0 388.508 1.838 40 0 GDABRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CC(=O)N(Cc3cncs3)C2)C1 ZINC000585103869 570929682 /nfs/dbraw/zinc/92/96/82/570929682.db2.gz UUJOZTMMPIRXJY-SFHVURJKSA-N 1 0 376.482 1.999 40 0 GDABRO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CC1 ZINC000016740488 570932166 /nfs/dbraw/zinc/93/21/66/570932166.db2.gz UKAPGGZELPAXRW-UHFFFAOYSA-N 1 0 394.541 1.437 40 0 GDABRO O=S(=O)(Cc1ccccc1)N1CCC2(CO[C@@H](C[N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000585104236 570933188 /nfs/dbraw/zinc/93/31/88/570933188.db2.gz OHKOONIPELNVBU-RTBURBONSA-N 1 0 394.537 1.454 40 0 GDABRO O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@@]1(CC[N@H+](Cc3ccsc3)C1)C2 ZINC000306126248 570936861 /nfs/dbraw/zinc/93/68/61/570936861.db2.gz DQVIPBPBYMNOIJ-NRFANRHFSA-N 1 0 394.500 1.963 40 0 GDABRO CC[NH+]1CCN(Cc2nc(N)nc(Nc3cc(Cl)ccc3OC)n2)CC1 ZINC000020414459 570946352 /nfs/dbraw/zinc/94/63/52/570946352.db2.gz AYNGBYHLFFHQQN-UHFFFAOYSA-N 1 0 377.880 1.997 40 0 GDABRO C[C@H](Oc1cccc(F)c1)C(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21 ZINC000019080298 570955908 /nfs/dbraw/zinc/95/59/08/570955908.db2.gz RFPUUERQIOZZQD-UONOGXRCSA-N 1 0 398.442 1.626 40 0 GDABRO Cc1ccccc1OCCC(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21 ZINC000019237398 570967053 /nfs/dbraw/zinc/96/70/53/570967053.db2.gz JJDHGYYIPAFMLG-INIZCTEOSA-N 1 0 394.479 1.797 40 0 GDABRO O=C(CCn1ncc2c1CCCC2)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019292237 570972176 /nfs/dbraw/zinc/97/21/76/570972176.db2.gz QERQCWCKIRGDSP-KRWDZBQOSA-N 1 0 394.523 1.994 40 0 GDABRO CCOC(=O)C1=C(O)NC(N2CCN(CC)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000054435417 570983045 /nfs/dbraw/zinc/98/30/45/570983045.db2.gz JJGACRIQZRWCRR-HOTGVXAUSA-N 1 0 376.432 1.169 40 0 GDABRO CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)C[NH+]2CCC(C)CC2)C3)CC1 ZINC000019496875 570989871 /nfs/dbraw/zinc/98/98/71/570989871.db2.gz NZDWCMPFJKMTQL-UHFFFAOYSA-N 1 0 399.539 1.819 40 0 GDABRO CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)C[NH+]2CCC(C)CC2)C3)C1 ZINC000019496869 570990048 /nfs/dbraw/zinc/99/00/48/570990048.db2.gz MSWMEKYQOUKCQQ-GOSISDBHSA-N 1 0 399.539 1.819 40 0 GDABRO COc1ccc(C[N@@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)cc1OC ZINC000019561177 571005899 /nfs/dbraw/zinc/00/58/99/571005899.db2.gz SYMPMWAFCWDJMX-UHFFFAOYSA-N 1 0 393.447 1.845 40 0 GDABRO COc1cc(CCC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)on1 ZINC000019590386 571018229 /nfs/dbraw/zinc/01/82/29/571018229.db2.gz VAMPQNZMRLHDRL-CQSZACIVSA-N 1 0 385.468 1.800 40 0 GDABRO CC1CCC(CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)([NH+]2CCCCC2)CC1 ZINC000019655254 571023356 /nfs/dbraw/zinc/02/33/56/571023356.db2.gz RRJWYHFDUCPTNZ-FDYSRKEFSA-N 1 0 399.601 1.656 40 0 GDABRO CNc1nc([C@@H]2CCCN2C(=O)C[NH+]2CCCC2)nc2c1CCN(C(C)=O)C2 ZINC000019707300 571032867 /nfs/dbraw/zinc/03/28/67/571032867.db2.gz SOZHZNSLUQQJGY-KRWDZBQOSA-N 1 0 386.500 1.182 40 0 GDABRO CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1ccccn1)CCC2 ZINC000096056107 571098104 /nfs/dbraw/zinc/09/81/04/571098104.db2.gz PUAWGLMQJZLBAY-UWJYYQICSA-N 1 0 380.496 1.678 40 0 GDABRO Cc1ccc(Cl)cc1S(=O)(=O)NCC[NH2+][C@]1(C)CCS(=O)(=O)C1 ZINC000575425747 532014227 /nfs/dbraw/zinc/01/42/27/532014227.db2.gz IFCBARFDCCKWOF-CQSZACIVSA-N 1 0 380.919 1.094 40 0 GDABRO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[NH+](C)C)C2)cc1 ZINC000013679713 204503077 /nfs/dbraw/zinc/50/30/77/204503077.db2.gz NRNHTLXQQFWMQK-OAHLLOKOSA-N 1 0 383.514 1.164 40 0 GDABRO COc1ccc(OC)c(CC(=O)N2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)c1 ZINC000019551386 204653185 /nfs/dbraw/zinc/65/31/85/204653185.db2.gz QGGKKVXFOJSFRG-AWEZNQCLSA-N 1 0 382.464 1.698 40 0 GDABRO COc1ccc(OCC(=O)N2CC[C@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1 ZINC000019556708 204654368 /nfs/dbraw/zinc/65/43/68/204654368.db2.gz DOGXLQJZURVMGG-AWEZNQCLSA-N 1 0 396.451 1.189 40 0 GDABRO Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCC[NH+](C)C)CC2)c1 ZINC000020043804 204699407 /nfs/dbraw/zinc/69/94/07/204699407.db2.gz DSZHVCRCXJZZHL-UHFFFAOYSA-N 1 0 381.542 1.605 40 0 GDABRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CC[NH+](C)CC3)C2)cc1 ZINC000053790726 205137858 /nfs/dbraw/zinc/13/78/58/205137858.db2.gz PDEGOGLYWGSYKJ-INIZCTEOSA-N 1 0 379.526 1.606 40 0 GDABRO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2ccncc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334470 205327896 /nfs/dbraw/zinc/32/78/96/205327896.db2.gz VYTWIADKTBUEFY-SIKLNZKXSA-N 1 0 378.476 1.763 40 0 GDABRO Cn1ccnc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@](O)(Cn2cccn2)C1 ZINC000072354522 205332885 /nfs/dbraw/zinc/33/28/85/205332885.db2.gz FBDHTMXPZRQJCQ-NRFANRHFSA-N 1 0 394.479 1.006 40 0 GDABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3ccc(C)nc3)CC2)CC1 ZINC000257212716 206159293 /nfs/dbraw/zinc/15/92/93/206159293.db2.gz CEQZAIGRPANPLR-OAQYLSRUSA-N 1 0 388.512 1.348 40 0 GDABRO COCCN1C(=O)CC[C@@H](C(=O)NCC[NH+](C)C)[C@@H]1c1ccccc1Cl ZINC000257257873 206167827 /nfs/dbraw/zinc/16/78/27/206167827.db2.gz KRKWUVDKGJHTOJ-QAPCUYQASA-N 1 0 381.904 1.944 40 0 GDABRO CCCCc1cc(C(=O)N2CCC[C@](O)(C[NH+]3CCN(C)CC3)CC2)[nH]n1 ZINC000257330274 206179949 /nfs/dbraw/zinc/17/99/49/206179949.db2.gz XNQOQWSCCLRHNJ-HXUWFJFHSA-N 1 0 377.533 1.357 40 0 GDABRO Cn1cc(C[N@@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(CC2CC2)C3=O)cn1 ZINC000306141603 206206922 /nfs/dbraw/zinc/20/69/22/206206922.db2.gz WBZWHEHJNBDGNE-CTNGQTDRSA-N 1 0 381.480 1.422 40 0 GDABRO O=C(c1ccccc1)N1CC2(C1)C[N@@H+](CCc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514290084 560031062 /nfs/dbraw/zinc/03/10/62/560031062.db2.gz SNRBDIFNDMFJEZ-FCHUYYIVSA-N 1 0 391.515 1.875 40 0 biogenic,in-vitro GDABRO COCC[N@@H+]1CC[C@@H](c2nnc3ccc(C(=O)NCCc4ccncc4)cn32)C1 ZINC000096156141 570216566 /nfs/dbraw/zinc/21/65/66/570216566.db2.gz ZTOXXKXZKHWRRO-QGZVFWFLSA-N 1 0 394.479 1.533 40 0 GDABRO Cc1ccc(C)c(N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)N(C)C)c1 ZINC000020049858 570238036 /nfs/dbraw/zinc/23/80/36/570238036.db2.gz VDOWLJBHHKAELO-UHFFFAOYSA-N 1 0 396.557 1.518 40 0 GDABRO Cc1ccccc1N1CCC(O)(C[N@H+]2CCN(C)C[C@H](C(=O)N(C)C)C2)CC1 ZINC000585283430 570251666 /nfs/dbraw/zinc/25/16/66/570251666.db2.gz OGMYKMAJYFBETA-IBGZPJMESA-N 1 0 388.556 1.278 40 0 GDABRO COc1ccc(C[NH2+]C[C@@]2(O)CN(C(=O)CCc3ccccc3)CC[C@@H]2O)cc1 ZINC000585284513 570253305 /nfs/dbraw/zinc/25/33/05/570253305.db2.gz LOEBTHCKKXEHRP-JTHBVZDNSA-N 1 0 398.503 1.742 40 0 GDABRO Cc1ccc(Cl)c(OC[C@@]2(O)C[N@H+](CC3(O)CCOCC3)CC[C@@H]2O)c1 ZINC000585284667 570254010 /nfs/dbraw/zinc/25/40/10/570254010.db2.gz YZXVWGPEYMGTMJ-HKUYNNGSSA-N 1 0 385.888 1.366 40 0 GDABRO COc1ccc(C[NH2+]C[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)cc1 ZINC000585285801 570255386 /nfs/dbraw/zinc/25/53/86/570255386.db2.gz UCNVVKWLAOWDPZ-GMAHTHKFSA-N 1 0 398.503 1.742 40 0 GDABRO COCCc1nccc(C[C@H]2[C@H]([NH2+]Cc3cccc(F)c3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382146 570353364 /nfs/dbraw/zinc/35/33/64/570353364.db2.gz HNJMJYXATQQCGF-UAFMIMERSA-N 1 0 389.471 1.495 40 0 biogenic,in-vitro GDABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]C2CCOCC2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382667 570353843 /nfs/dbraw/zinc/35/38/43/570353843.db2.gz YDMAAEJODWVGPC-UAFMIMERSA-N 1 0 384.480 1.208 40 0 biogenic,in-vitro GDABRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CSc2nccc(=O)n2C1 ZINC000090609915 570385300 /nfs/dbraw/zinc/38/53/00/570385300.db2.gz FMAZESZEXSABRT-MRXNPFEDSA-N 1 0 384.505 1.746 40 0 GDABRO CN1CCN([C@H]2C[N@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@@H]2O)CC1 ZINC000257302971 570488564 /nfs/dbraw/zinc/48/85/64/570488564.db2.gz SFFISNIRCQNIQF-VXKWHMMOSA-N 1 0 382.508 1.453 40 0 GDABRO COc1cccc(N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c2ccccc2)c1 ZINC000010111524 570781793 /nfs/dbraw/zinc/78/17/93/570781793.db2.gz RJNORIKVYKYTRA-UHFFFAOYSA-N 1 0 391.493 1.568 40 0 GDABRO Cc1ccc(=O)n(CC(=O)N2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)n1 ZINC000019131051 570958586 /nfs/dbraw/zinc/95/85/86/570958586.db2.gz LWUWCXOXVRLROR-UHFFFAOYSA-N 1 0 382.464 1.437 40 0 GDABRO O=c1[nH]c(N2CCOCC2)nc2c1CC[N@H+](Cc1cccc(F)c1F)CC2 ZINC000019292759 570972636 /nfs/dbraw/zinc/97/26/36/570972636.db2.gz OOVQYTAKMNAQAA-UHFFFAOYSA-N 1 0 376.407 1.486 40 0 GDABRO O[C@@H]1CN(Cc2c(F)cccc2Cl)CC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000019292587 570972732 /nfs/dbraw/zinc/97/27/32/570972732.db2.gz IWBXDTJWULVIDI-RTBURBONSA-N 1 0 385.911 1.726 40 0 GDABRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCn1ncc(-c2ccncc2)c1C1CC1 ZINC000019456308 570987183 /nfs/dbraw/zinc/98/71/83/570987183.db2.gz FPFVUMBZAAVCNC-INIZCTEOSA-N 1 0 383.496 1.907 40 0 GDABRO C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 ZINC000019496278 570989567 /nfs/dbraw/zinc/98/95/67/570989567.db2.gz BZYMJPMBCKFJRM-QGZVFWFLSA-N 1 0 398.507 1.624 40 0 GDABRO CC[C@@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C[NH+](C)C)CC2 ZINC000019499854 570992193 /nfs/dbraw/zinc/99/21/93/570992193.db2.gz SGGKOQOFEVWJPC-CJNGLKHVSA-N 1 0 389.500 1.338 40 0 GDABRO Cc1c(S(=O)(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)cnn1C ZINC000019553935 571002469 /nfs/dbraw/zinc/00/24/69/571002469.db2.gz ZKGPQPVXRWLKLJ-OAHLLOKOSA-N 1 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/nfs/dbraw/zinc/05/35/11/206053511.db2.gz HTNZTMIXRCFEJB-UHFFFAOYSA-N 1 0 383.514 1.164 40 0 GDABRO O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@@](O)(C[NH+]2CCOCC2)CC1 ZINC000257304255 206176090 /nfs/dbraw/zinc/17/60/90/206176090.db2.gz SKTULRDXCHYTQG-FQEVSTJZSA-N 1 0 375.444 1.996 40 0 GDABRO [NH3+]Cc1cccc(C(=O)NCC2(O)CCN(c3ccnc4ccncc43)CC2)c1 ZINC000257241832 206164782 /nfs/dbraw/zinc/16/47/82/206164782.db2.gz HZUBNNOJVCGBRU-UHFFFAOYSA-N 1 0 391.475 1.850 40 0 GDABRO CC(=O)N[C@]12CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C[C@H]1C[NH2+]CC2 ZINC000257266563 206169233 /nfs/dbraw/zinc/16/92/33/206169233.db2.gz MDOBULFUPYGTJU-UKRRQHHQSA-N 1 0 391.415 1.194 40 0 GDABRO CNC(=O)c1sc2nc([C@]3(C)CCCN(C(=O)C[NH+](C)C)C3)ccc2c1N ZINC000257323159 206179289 /nfs/dbraw/zinc/17/92/89/206179289.db2.gz WIYVOYWRTWGQFG-LJQANCHMSA-N 1 0 389.525 1.680 40 0 GDABRO COC(=O)c1csc(C[NH2+]C[C@H]2CC[C@]3(COCCN(C(C)=O)C3)O2)c1 ZINC000306139529 206204950 /nfs/dbraw/zinc/20/49/50/206204950.db2.gz SZQBKPKQIVPCNV-QAPCUYQASA-N 1 0 382.482 1.421 40 0 GDABRO COCCN1CC[C@H]([NH2+]CC2CC2)[C@]2(CC(C(=O)NC3CCCC3)=NO2)C1 ZINC000306141956 206206349 /nfs/dbraw/zinc/20/63/49/206206349.db2.gz WLIHXIYYHYOGSH-ICSRJNTNSA-N 1 0 378.517 1.281 40 0 GDABRO COc1ncccc1C[N@H+]1C[C@@H]2Cc3nnc(C(=O)NC4CCC4)n3C[C@H]2C1 ZINC000306126774 206197190 /nfs/dbraw/zinc/19/71/90/206197190.db2.gz FEZWPURUBGCFOS-LSDHHAIUSA-N 1 0 382.468 1.268 40 0 GDABRO CN(Cc1ccccc1)C(=O)[C@H]1C[N@H+](C)CC2(CCN(C(=O)C3CC3)CC2)O1 ZINC000306132956 206201495 /nfs/dbraw/zinc/20/14/95/206201495.db2.gz LXKCYNNDBJCCLW-LJQANCHMSA-N 1 0 385.508 1.747 40 0 GDABRO O=C(c1nc2c(o1)CN(Cc1cccnc1)C2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000096147298 136184309 /nfs/dbraw/zinc/18/43/09/136184309.db2.gz CKDOCONPTMOLIC-UHFFFAOYSA-N 1 0 390.447 1.943 40 0 GDABRO CC1CC[NH+](C[C@@H]2OC[C@H](NCc3ccc(S(C)(=O)=O)cc3)[C@H]2O)CC1 ZINC000514289407 560032820 /nfs/dbraw/zinc/03/28/20/560032820.db2.gz SEVJYNXVIYVOEJ-GBESFXJTSA-N 1 0 382.526 1.040 40 0 biogenic,in-vitro GDABRO O=S1(=O)CC[C@H]([NH2+]CCn2cncc2-c2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019719643 570210589 /nfs/dbraw/zinc/21/05/89/570210589.db2.gz YXMWZZCJPHNNAW-INIZCTEOSA-N 1 0 389.456 1.652 40 0 GDABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)NC)C1)CCN(C(=O)CCC(=O)OC)CC3 ZINC000096143864 570213497 /nfs/dbraw/zinc/21/34/97/570213497.db2.gz LXVYWTYANIDRLF-MGPUTAFESA-N 1 0 379.501 1.026 40 0 GDABRO COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)C[NH+](C)C)C3)nc2C)cc1 ZINC000019753112 570216018 /nfs/dbraw/zinc/21/60/18/570216018.db2.gz WNDJFXSFBPKTNG-HNNXBMFYSA-N 1 0 397.479 1.923 40 0 GDABRO COC(=O)CCC(=O)N1C[C@H]2C[NH+](C3CCN(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC000096245445 570224124 /nfs/dbraw/zinc/22/41/24/570224124.db2.gz ZKCAJNYXGUSRDA-WOJBJXKFSA-N 1 0 399.535 1.994 40 0 GDABRO COCC(=O)N1CC[N@@H+](C2CCCC2)C[C@](O)(COc2cccc(F)c2)C1 ZINC000585282487 570250174 /nfs/dbraw/zinc/25/01/74/570250174.db2.gz KYRPNPBUZDHQCM-HXUWFJFHSA-N 1 0 380.460 1.669 40 0 GDABRO O=C(Cc1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]Cc2ccccc2Cl)C1 ZINC000585283023 570251156 /nfs/dbraw/zinc/25/11/56/570251156.db2.gz APYUGAPXLCLQLQ-PZJWPPBQSA-N 1 0 388.895 1.997 40 0 GDABRO CN(C)C(=O)[C@]1(C)C[N@H+](CC2(O)CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000585283836 570251948 /nfs/dbraw/zinc/25/19/48/570251948.db2.gz PBRBOMZKIFZUPD-IBGZPJMESA-N 1 0 379.476 1.336 40 0 GDABRO CNC(=O)[C@]1(C)CCC[N@H+](CC2(O)CCN(c3cccc(OC)c3)CC2)C1 ZINC000585285291 570254560 /nfs/dbraw/zinc/25/45/60/570254560.db2.gz WZORXNWWIMLGML-HXUWFJFHSA-N 1 0 375.513 1.875 40 0 GDABRO CCOC(=O)c1ccc(N(C[C@@H]([NH3+])O)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002034991 570272297 /nfs/dbraw/zinc/27/22/97/570272297.db2.gz PQTQMXZSBYIKJR-KRWDZBQOSA-N 1 0 378.450 1.644 40 0 GDABRO COCCn1ccc2nc(N3CCN(Cc4ccccc4)CC3)ncc2c1=O ZINC000020556234 570277553 /nfs/dbraw/zinc/27/75/53/570277553.db2.gz LZCAGQFWUQZYCV-UHFFFAOYSA-N 1 0 379.464 1.760 40 0 GDABRO C[NH+]1CCN(CCCNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)CC1 ZINC000216253484 570297656 /nfs/dbraw/zinc/29/76/56/570297656.db2.gz NPRXAMLRJDAGMT-UHFFFAOYSA-N 1 0 388.921 1.079 40 0 GDABRO CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)NCCN2CC[NH+](CC)CC2)nn1 ZINC000022586573 570322275 /nfs/dbraw/zinc/32/22/75/570322275.db2.gz VUKQXMITAMEPNL-IBGZPJMESA-N 1 0 388.491 1.784 40 0 GDABRO COCCc1nccc(C[C@H]2[C@H]([NH2+]C3CCC(F)(F)CC3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382717 570353638 /nfs/dbraw/zinc/35/36/38/570353638.db2.gz ZSLRDGKGHJBKJN-BRSBDYLESA-N 1 0 399.482 1.733 40 0 biogenic,in-vitro GDABRO C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000222725723 570422478 /nfs/dbraw/zinc/42/24/78/570422478.db2.gz RGUHADFTTHMUFD-INIZCTEOSA-N 1 0 397.541 1.842 40 0 GDABRO COc1ccc(C)cc1N(CC(=O)NCCC[NH+]1CCCCC1)S(C)(=O)=O ZINC000013676345 570772217 /nfs/dbraw/zinc/77/22/17/570772217.db2.gz BVSUCHHVEBXFIJ-UHFFFAOYSA-N 1 0 397.541 1.762 40 0 GDABRO CC(=O)N[C@H]1CN(C(C)=O)C2(C1)CC[NH+](Cc1c(C)nc3sccn13)CC2 ZINC000019704226 570898166 /nfs/dbraw/zinc/89/81/66/570898166.db2.gz LAIGLDMZAHTSRA-MRXNPFEDSA-N 1 0 389.525 1.796 40 0 GDABRO COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cc(C)nn3C)C[C@@H]21 ZINC000585109649 570938095 /nfs/dbraw/zinc/93/80/95/570938095.db2.gz HRHBOXAVPZBQGA-JAXLGGSGSA-N 1 0 398.507 1.778 40 0 GDABRO CCOC(=O)[C@@]12C[N@H+](CCN(C)C)C[C@@H]1CN(C(=O)C1(F)CCC1)CCC2 ZINC000585108020 570939669 /nfs/dbraw/zinc/93/96/69/570939669.db2.gz CNMNAXTZLDLRRA-APWZRJJASA-N 1 0 383.508 1.544 40 0 GDABRO CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1CN(C(=O)c1nnsc1C)CCC2 ZINC000585108095 570940313 /nfs/dbraw/zinc/94/03/13/570940313.db2.gz WYIJJBFBWVKKSY-KSSFIOAISA-N 1 0 380.514 1.972 40 0 GDABRO O=C(Nc1ccc2c(c1)OCCOCCOCCOCCO2)C1CC[NH2+]CC1 ZINC000228935779 570951943 /nfs/dbraw/zinc/95/19/43/570951943.db2.gz OLSHYAWACLPYPD-UHFFFAOYSA-N 1 0 394.468 1.446 40 0 GDABRO CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)C[C@@H]4CCCC[N@H+]4C)C3)ncc2C1 ZINC000019018668 570954765 /nfs/dbraw/zinc/95/47/65/570954765.db2.gz UUJXCAHVNAFXEI-AEFFLSMTSA-N 1 0 385.512 1.572 40 0 GDABRO COc1c(C)cccc1C(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21 ZINC000019235880 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COc1cccc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)c1 ZINC000013672246 570770761 /nfs/dbraw/zinc/77/07/61/570770761.db2.gz FRXGHAKMGFYEKO-UHFFFAOYSA-N 1 0 397.541 1.699 40 0 GDABRO O=S(=O)(c1ccccn1)N1CCC2(CO[C@@H](C[NH+]3CCC(O)CC3)C2)CC1 ZINC000585104597 570933437 /nfs/dbraw/zinc/93/34/37/570933437.db2.gz RAKZDZXPJFJJPL-QGZVFWFLSA-N 1 0 395.525 1.098 40 0 GDABRO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccsc2)CC1 ZINC000585106001 570935411 /nfs/dbraw/zinc/93/54/11/570935411.db2.gz CBQDHZNJIPHOAQ-SJORKVTESA-N 1 0 375.538 1.986 40 0 GDABRO NC(=O)[C@@H]1CCCN(C(=O)c2cc(C3CC[NH+](Cc4cccnc4)CC3)no2)C1 ZINC000019338929 570976477 /nfs/dbraw/zinc/97/64/77/570976477.db2.gz RMWBRXVIWRHWLB-QGZVFWFLSA-N 1 0 397.479 1.787 40 0 GDABRO O=C(c1ccnc(N2CCOCC2)c1)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019403668 570982964 /nfs/dbraw/zinc/98/29/64/570982964.db2.gz RYWDYXQHRLQGLH-SFHVURJKSA-N 1 0 394.479 1.331 40 0 GDABRO CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)C[N@H+]1CCCC[C@H]1C)C2 ZINC000019496341 570989441 /nfs/dbraw/zinc/98/94/41/570989441.db2.gz PXAWQYXYBOYCNT-BEFAXECRSA-N 1 0 385.512 1.919 40 0 GDABRO CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)C[N@H+]2CCC[C@H](C)C2)C3)C1 ZINC000019496509 570989538 /nfs/dbraw/zinc/98/95/38/570989538.db2.gz SVTGZRKCDQSMKQ-FUHWJXTLSA-N 1 0 399.539 1.819 40 0 GDABRO COc1ccccc1OCC(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21 ZINC000019571465 571010119 /nfs/dbraw/zinc/01/01/19/571010119.db2.gz JWEADECUZOYLBR-OAHLLOKOSA-N 1 0 395.463 1.712 40 0 GDABRO COCc1ccc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)o1 ZINC000019594504 571020297 /nfs/dbraw/zinc/02/02/97/571020297.db2.gz ZXSQORQFDXBSTA-WSXQUGQNSA-N 1 0 389.452 1.963 40 0 GDABRO CC(C)c1cc(C(=O)NCC2([NH+](C)C)CCCC2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000019661811 571026222 /nfs/dbraw/zinc/02/62/22/571026222.db2.gz JAPRYXUASGQBFT-OAHLLOKOSA-N 1 0 396.557 1.970 40 0 GDABRO Cc1cc(N2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc([C@H]2CCC[NH2+]2)n1 ZINC000019697997 571030667 /nfs/dbraw/zinc/03/06/67/571030667.db2.gz KEDYUARCQCYOMI-QGZVFWFLSA-N 1 0 390.513 1.059 40 0 GDABRO COc1ccccc1S(=O)(=O)N1CCC[C@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019709364 571034160 /nfs/dbraw/zinc/03/41/60/571034160.db2.gz IQUFFLOPTUSIOM-AWEZNQCLSA-N 1 0 391.497 1.001 40 0 GDABRO O=C(N1CCCC1)N1CCC2(C[N@H+](Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000096036353 571095905 /nfs/dbraw/zinc/09/59/05/571095905.db2.gz CQDUSVVLHYBQGG-QFIPXVFZSA-N 1 0 397.523 1.702 40 0 GDABRO C[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1cnccn1)CC3 ZINC000096036308 571095922 /nfs/dbraw/zinc/09/59/22/571095922.db2.gz WSJFMKJFWXLMQQ-PGRDOPGGSA-N 1 0 397.523 1.663 40 0 GDABRO Cc1nc(CN2C(=O)COC3(CC[NH+](Cc4cnn(C)c4)CC3)[C@H]2C)cs1 ZINC000096062280 571098555 /nfs/dbraw/zinc/09/85/55/571098555.db2.gz XIWQPACLCHWAQP-CQSZACIVSA-N 1 0 389.525 1.967 40 0 GDABRO C[NH+]1CCN(c2cc3[nH]c(=O)[nH]c3cc2NS(=O)(=O)c2ccccc2)CC1 ZINC000408537042 529777041 /nfs/dbraw/zinc/77/70/41/529777041.db2.gz YWZFZKMKJFNSAH-UHFFFAOYSA-N 1 0 387.465 1.821 40 0 GDABRO Cn1nc(-c2cccs2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNS(C)(=O)=O ZINC000008635437 530549529 /nfs/dbraw/zinc/54/95/29/530549529.db2.gz TUWXCXBOAHVSAT-MJBXVCDLSA-N 1 0 380.539 1.876 40 0 biogenic,in-vitro GDABRO C[NH+]1CCN(CCCNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000022791775 530573478 /nfs/dbraw/zinc/57/34/78/530573478.db2.gz DHUQLVAFOOKBLG-UHFFFAOYSA-N 1 0 382.349 1.426 40 0 GDABRO Cc1nc(N2CCC(NC(=O)c3ccc(C[NH+]4CCCC4)o3)CC2)[nH]c(=O)c1C ZINC000012146193 204375417 /nfs/dbraw/zinc/37/54/17/204375417.db2.gz ORGKXTRQRVDMAF-UHFFFAOYSA-N 1 0 399.495 1.974 40 0 GDABRO C[C@H](C(=O)NC[C@H](c1ccccc1F)[NH+]1CCCC1)N1C(=O)NC(C)(C)C1=O ZINC000012200976 204383088 /nfs/dbraw/zinc/38/30/88/204383088.db2.gz PHYQGISQDKNQFK-CZUORRHYSA-N 1 0 390.459 1.798 40 0 GDABRO COc1ccc2c(c1)c(C[N@@H+]1CCC[C@H](CN3CCCC3=O)C1)cn2CC(N)=O ZINC000012222656 204384709 /nfs/dbraw/zinc/38/47/09/204384709.db2.gz YVWBNNMWOAMUJU-INIZCTEOSA-N 1 0 398.507 1.970 40 0 GDABRO [NH3+]CCn1nc([C@@H]2CCN(C(=O)COc3ccccc3F)C2)c2nccnc21 ZINC000019350159 204640711 /nfs/dbraw/zinc/64/07/11/204640711.db2.gz SMHDLSKMJVAIGB-CYBMUJFWSA-N 1 0 384.415 1.319 40 0 GDABRO CC[NH+](CC)CCNC(=O)Cn1nc(C)n2c3cc(C)sc3cc2c1=O ZINC000072334629 205327693 /nfs/dbraw/zinc/32/76/93/205327693.db2.gz IQKZGYCVNMLMEE-UHFFFAOYSA-N 1 0 375.498 1.786 40 0 GDABRO COc1ccccc1S(=O)(=O)N1CCc2nnc([C@@H]3CCC[NH2+]C3)n2CC1 ZINC000072370906 205336616 /nfs/dbraw/zinc/33/66/16/205336616.db2.gz AZNNJAQNTSOCMY-CQSZACIVSA-N 1 0 391.497 1.001 40 0 GDABRO O=C([C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccccn3)CC2)O1)N1CCCC1 ZINC000096036832 205517546 /nfs/dbraw/zinc/51/75/46/205517546.db2.gz IRHQYWZEMFAWGY-SFHVURJKSA-N 1 0 381.480 1.791 40 0 GDABRO O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000225086487 206036180 /nfs/dbraw/zinc/03/61/80/206036180.db2.gz GWSOQCJREDAWKM-UHFFFAOYSA-N 1 0 393.509 1.884 40 0 GDABRO COc1ccccc1N(CCCC(=O)NCCC[NH+]1CCCC1)S(C)(=O)=O ZINC000225585979 206059277 /nfs/dbraw/zinc/05/92/77/206059277.db2.gz ZJOXZNXRYAGGDY-UHFFFAOYSA-N 1 0 397.541 1.844 40 0 GDABRO COc1ccc(C[N@H+](C)[C@H]2CN(CC(=O)Nc3c(C)n[nH]c3C)C[C@@H]2O)cc1 ZINC000257236618 206164239 /nfs/dbraw/zinc/16/42/39/206164239.db2.gz HCZPPYDIBCBMKX-ROUUACIJSA-N 1 0 387.484 1.151 40 0 GDABRO COc1ccc(C[N@H+](C)C[C@@]2(O)CCCN(C(=O)c3c[nH]c(=O)[nH]3)CC2)cc1 ZINC000257338336 206182219 /nfs/dbraw/zinc/18/22/19/206182219.db2.gz YWXZMUZMVTZVSP-HXUWFJFHSA-N 1 0 388.468 1.613 40 0 GDABRO O[C@H]1[C@H](Oc2ccccc2)C[C@@H]([NH2+]Cc2cccnc2)[C@@H]1N1CCC(O)CC1 ZINC000257320220 206178604 /nfs/dbraw/zinc/17/86/04/206178604.db2.gz VVVIAXQQUVCIKO-CZYKHXBRSA-N 1 0 383.492 1.577 40 0 GDABRO Cc1cc(Nc2ncccn2)cc(C2CCN(S(=O)(=O)N(C)C)CC2)[nH+]1 ZINC000257328459 206179385 /nfs/dbraw/zinc/17/93/85/206179385.db2.gz XFSPBHHHEAJXIO-UHFFFAOYSA-N 1 0 376.486 1.909 40 0 GDABRO COCCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2cccs2)CC1 ZINC000306141554 206206860 /nfs/dbraw/zinc/20/68/60/206206860.db2.gz WAJNVBJNODRRJH-UHFFFAOYSA-N 1 0 389.525 1.944 40 0 GDABRO O=C(NCc1ccncc1)c1cn2c(nc1=O)CC1(C2)CC[NH+](CC2CC2)CC1 ZINC000306142921 206206982 /nfs/dbraw/zinc/20/69/82/206206982.db2.gz XOCXGQFKTCCOTA-UHFFFAOYSA-N 1 0 393.491 1.617 40 0 GDABRO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3nccs3)C[C@H]1C2 ZINC000306128523 206199500 /nfs/dbraw/zinc/19/95/00/206199500.db2.gz HCXHGHSIEDVILX-HZPDHXFCSA-N 1 0 394.504 1.969 40 0 GDABRO O=c1c(=O)n2c(nn1CC1CC1)CO[C@]1(CC[N@@H+](Cc3ccc(F)cc3)C1)C2 ZINC000306137199 206203312 /nfs/dbraw/zinc/20/33/12/206203312.db2.gz QOOUXWBTQQBEGY-FQEVSTJZSA-N 1 0 386.427 1.129 40 0 GDABRO C[C@H](Oc1ccccc1)C(=O)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224320192 136206664 /nfs/dbraw/zinc/20/66/64/136206664.db2.gz QXHXXRMHVCFGHI-KRWDZBQOSA-N 1 0 397.479 1.429 40 0 GDABRO O=C(/C=C/c1ccccc1)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224319440 136206694 /nfs/dbraw/zinc/20/66/94/136206694.db2.gz CRPNQYJBJDJXPR-VOTSOKGWSA-N 1 0 379.464 1.675 40 0 GDABRO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@@H+](C4CCOCC4)C[C@H]2N(C)C3=O)cn1 ZINC000514288873 560033794 /nfs/dbraw/zinc/03/37/94/560033794.db2.gz CQISUDPQMFINLO-QUCCMNQESA-N 1 0 382.464 1.783 40 0 biogenic,in-vitro GDABRO COc1ccccc1CN1CC2(C1)CN(Cc1cccnc1)C[C@H]1C[C@@H](O)C[N@H+]12 ZINC000514288511 560034952 /nfs/dbraw/zinc/03/49/52/560034952.db2.gz BNJNITLUDNRWFX-NHCUHLMSSA-N 1 0 394.519 1.596 40 0 biogenic,in-vitro GDABRO CC1CC[NH+](CC(=O)N2CCO[C@H](C(=O)N3CCc4ccccc4C3)C2)CC1 ZINC000019747855 570213995 /nfs/dbraw/zinc/21/39/95/570213995.db2.gz FKCPEENTRXWPKI-FQEVSTJZSA-N 1 0 385.508 1.531 40 0 GDABRO CN(C)C(=O)Cn1cccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1=O ZINC000019750038 570215534 /nfs/dbraw/zinc/21/55/34/570215534.db2.gz DWDAJLWCELORMD-UHFFFAOYSA-N 1 0 382.464 1.785 40 0 GDABRO CC(=O)N1CCN(c2ccc3ccc(C(=O)N4CC[C@@H]([NH+](C)C)C4)cn32)CC1 ZINC000096155980 570216476 /nfs/dbraw/zinc/21/64/76/570216476.db2.gz ICZYMFQQDSPYJG-LJQANCHMSA-N 1 0 383.496 1.384 40 0 GDABRO C[N@H+](Cc1cccc(CN2CCOCC2)c1)C[C@@]1(O)CCN(c2ncccn2)C1 ZINC000585271484 570238251 /nfs/dbraw/zinc/23/82/51/570238251.db2.gz FTYNDMUJFTYBSX-QFIPXVFZSA-N 1 0 397.523 1.382 40 0 GDABRO COCC(=O)N1CC[N@@H+](C2CCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585281803 570248193 /nfs/dbraw/zinc/24/81/93/570248193.db2.gz AXFVFKBQVTUADE-OAQYLSRUSA-N 1 0 376.497 1.756 40 0 GDABRO CCOc1ccc(C[NH2+]C[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)cc1 ZINC000585289845 570257696 /nfs/dbraw/zinc/25/76/96/570257696.db2.gz KWSCKKDARJMUNY-GGAORHGYSA-N 1 0 398.503 1.742 40 0 GDABRO O=C(c1ccccc1)N1CC[C@@H](O)[C@](O)(C[NH2+]CCc2c[nH]c3ccccc23)C1 ZINC000585290742 570259426 /nfs/dbraw/zinc/25/94/26/570259426.db2.gz WMRQGIMSMNQLEL-GGAORHGYSA-N 1 0 393.487 1.938 40 0 GDABRO CN1CC[C@]2(CN(c3ncccn3)CC23CC[NH+](CC2CCOCC2)CC3)C1=O ZINC000097952869 570261542 /nfs/dbraw/zinc/26/15/42/570261542.db2.gz HJSHFRVHOTXGGI-QFIPXVFZSA-N 1 0 399.539 1.654 40 0 GDABRO CC[NH+](CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1 ZINC000575420545 570307856 /nfs/dbraw/zinc/30/78/56/570307856.db2.gz BVTHLTRRBSDMKR-INIZCTEOSA-N 1 0 388.555 1.596 40 0 GDABRO COCCc1nccc(C[C@H]2[C@H]([NH2+]Cc3ccc(F)cc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382569 570353470 /nfs/dbraw/zinc/35/34/70/570353470.db2.gz RXNRCOKPIAAEKR-UAFMIMERSA-N 1 0 389.471 1.495 40 0 biogenic,in-vitro GDABRO O=C1N[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccccc2)Nc2c1cnn2C1CCOCC1 ZINC000169747722 570473658 /nfs/dbraw/zinc/47/36/58/570473658.db2.gz PQYURWIRBUDGPO-UFYCRDLUSA-N 1 0 395.507 1.992 40 0 GDABRO CN(Cc1ccc(OCC(=O)NCCC[NH+]2CCCCC2)cc1)S(C)(=O)=O ZINC000013674507 570771599 /nfs/dbraw/zinc/77/15/99/570771599.db2.gz KZFRWPNSFNBDDB-UHFFFAOYSA-N 1 0 397.541 1.449 40 0 GDABRO Cc1cc(NC[C@@H](O)C[N@H+]2CCC[C@@H](C)C2)n2nc(-c3nccn3C)cc2n1 ZINC000257295350 570903922 /nfs/dbraw/zinc/90/39/22/570903922.db2.gz QXYJVVPGWXCOMQ-GDBMZVCRSA-N 1 0 383.500 1.943 40 0 GDABRO Cn1cccc(C(=O)N2CC[C@]3(C2)C[N@H+](C)C[C@H]3COCc2ccccn2)c1=O ZINC000585102812 570931048 /nfs/dbraw/zinc/93/10/48/570931048.db2.gz IOXFTRQKNLCJPK-HTAPYJJXSA-N 1 0 396.491 1.391 40 0 GDABRO CCCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)COc2ccccc2)CC1 ZINC000585106279 570936470 /nfs/dbraw/zinc/93/64/70/570936470.db2.gz MVGHYVUUGMKLDB-MOPGFXCFSA-N 1 0 385.508 1.905 40 0 GDABRO CC(=O)N1CCc2nc(C3CCN(C(=O)[C@H](C)[NH+]4CCCCC4)CC3)ncc2C1 ZINC000019078090 570955079 /nfs/dbraw/zinc/95/50/79/570955079.db2.gz SNAQXBBRXGMPRK-INIZCTEOSA-N 1 0 399.539 1.962 40 0 GDABRO CC(=O)NCCn1nc([C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCC3)C2)c2cccnc21 ZINC000019077606 570955222 /nfs/dbraw/zinc/95/52/22/570955222.db2.gz WNTPKAIRFIMEQA-DOTOQJQBSA-N 1 0 398.511 1.368 40 0 GDABRO CC(=O)NCCn1nc([C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCC3)C2)c2cccnc21 ZINC000019077602 570955446 /nfs/dbraw/zinc/95/54/46/570955446.db2.gz WNTPKAIRFIMEQA-NVXWUHKLSA-N 1 0 398.511 1.368 40 0 GDABRO O=C(COc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2CCO)cc1)N1CCCC1 ZINC000019333710 570975640 /nfs/dbraw/zinc/97/56/40/570975640.db2.gz SMUYPTDICKWKFN-UXHICEINSA-N 1 0 387.524 1.719 40 0 GDABRO O=C([C@H]1CC(=O)Nc2ccccc21)N1CCC[C@@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019374862 570981634 /nfs/dbraw/zinc/98/16/34/570981634.db2.gz VTLJLCPWYKKEGA-PBHICJAKSA-N 1 0 391.475 1.954 40 0 GDABRO CC1(C)NC(=O)N(CC(=O)N2CC[C@H](c3ccccc3)[C@H]3[NH2+]CCCC[C@H]32)C1=O ZINC000019460018 570988439 /nfs/dbraw/zinc/98/84/39/570988439.db2.gz ZSJFJBZLMPHDOO-ZHALLVOQSA-N 1 0 398.507 1.844 40 0 GDABRO CN(C)c1ncccc1C[N@@H+]1CCc2nc(-c3cnccn3)[nH]c(=O)c2CC1 ZINC000019584148 571014827 /nfs/dbraw/zinc/01/48/27/571014827.db2.gz QGULIHAATCGCNM-UHFFFAOYSA-N 1 0 377.452 1.701 40 0 GDABRO Cc1ccc(F)c(S(=O)(=O)N2CCC[C@H]2c2nnc3n2CC[N@@H+](C)CC3)c1 ZINC000019706364 571032315 /nfs/dbraw/zinc/03/23/15/571032315.db2.gz JABHRHQYMHCWLN-HNNXBMFYSA-N 1 0 393.488 1.739 40 0 GDABRO C[N@H+]1CCc2nnc([C@@H]3CCCN3C(=O)COc3ccc(F)cc3F)n2CC1 ZINC000019706318 571032477 /nfs/dbraw/zinc/03/24/77/571032477.db2.gz LDRYJVUNGUNMTH-HNNXBMFYSA-N 1 0 391.422 1.787 40 0 GDABRO CNc1nc(C2CC[NH2+]CC2)nc2c1CN(S(=O)(=O)c1ccccc1)CC2 ZINC000019711077 571035002 /nfs/dbraw/zinc/03/50/02/571035002.db2.gz YVCULJYXLLKJSQ-UHFFFAOYSA-N 1 0 387.509 1.732 40 0 GDABRO O=C([C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccccn3)CC2)O1)N1CCCC1 ZINC000096036831 571096345 /nfs/dbraw/zinc/09/63/45/571096345.db2.gz IRHQYWZEMFAWGY-GOSISDBHSA-N 1 0 381.480 1.791 40 0 GDABRO CCOC(=O)[C@@]12CN(S(C)(=O)=O)C[C@@H]1C[N@H+](Cc1ccc(C)o1)CCC2 ZINC000096055994 571097927 /nfs/dbraw/zinc/09/79/27/571097927.db2.gz MKCVRYFMNXAFQE-YJBOKZPZSA-N 1 0 384.498 1.625 40 0 GDABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)CC ZINC000218202953 531027869 /nfs/dbraw/zinc/02/78/69/531027869.db2.gz NXLHIPYJIKYSSQ-YDHLFZDLSA-N 1 0 390.299 1.858 40 0 GDABRO N[C@@]1(C[NH3+])[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218180487 531027891 /nfs/dbraw/zinc/02/78/91/531027891.db2.gz GTACBAKTANSLKN-IKGGRYGDSA-N 1 0 380.853 1.665 40 0 GDABRO CCc1nn(CC(=O)NC[C@@H]2CCC[N@H+]2CC)c(=O)c2cc3sccc3n21 ZINC000005108930 204112460 /nfs/dbraw/zinc/11/24/60/204112460.db2.gz UVCVRPVORZMHCR-ZDUSSCGKSA-N 1 0 387.509 1.874 40 0 GDABRO C[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000012185827 204379139 /nfs/dbraw/zinc/37/91/39/204379139.db2.gz CBZKODMHABGVMV-CQSZACIVSA-N 1 0 383.448 1.989 40 0 GDABRO COCc1ccc(C(=O)NCCn2nc([C@@H]3CC[NH2+]C3)c3nccnc32)cc1 ZINC000019594440 204666877 /nfs/dbraw/zinc/66/68/77/204666877.db2.gz BCGFIMALHBMKHT-MRXNPFEDSA-N 1 0 380.452 1.480 40 0 GDABRO CC(=O)N1CCN(c2cc(C)[nH+]c([C@H]3CCCN3C(=O)Cn3cccn3)c2)CC1 ZINC000019698238 204670935 /nfs/dbraw/zinc/67/09/35/204670935.db2.gz XCXAWFPXNFTSHA-HXUWFJFHSA-N 1 0 396.495 1.619 40 0 GDABRO CCOc1ccccc1C(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21 ZINC000019520156 204649954 /nfs/dbraw/zinc/64/99/54/204649954.db2.gz DZIYNWAMHHEVDT-AWEZNQCLSA-N 1 0 380.452 1.732 40 0 GDABRO COc1cccc(CC(=O)N2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)c1 ZINC000019564030 204655176 /nfs/dbraw/zinc/65/51/76/204655176.db2.gz WYIPBCRYDQWMDY-OAHLLOKOSA-N 1 0 380.452 1.352 40 0 GDABRO COc1ccc(CCC(=O)N2CC[NH2+]C[C@@H](Cc3cc(N(C)C)ncn3)C2)cc1 ZINC000072355153 205332743 /nfs/dbraw/zinc/33/27/43/205332743.db2.gz 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FILVIMGFWYTRFK-HNNXBMFYSA-N 1 0 375.922 1.953 40 0 GDABRO Cc1cc(N2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc([C@@H]2CCC[NH2+]2)n1 ZINC000019697996 204672386 /nfs/dbraw/zinc/67/23/86/204672386.db2.gz KEDYUARCQCYOMI-KRWDZBQOSA-N 1 0 390.513 1.059 40 0 GDABRO COc1ccc(OC)c(C(=O)N2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)c1 ZINC000019550998 204651524 /nfs/dbraw/zinc/65/15/24/204651524.db2.gz BVQQGNFQPKIVJT-CYBMUJFWSA-N 1 0 396.451 1.432 40 0 GDABRO O=S(=O)(NC[C@H]1OC[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1O)c1ccccc1 ZINC000077264633 205036435 /nfs/dbraw/zinc/03/64/35/205036435.db2.gz WTURDBVCLNVJAB-KURKYZTESA-N 1 0 380.441 1.022 40 0 biogenic,in-vitro GDABRO COc1ccccc1C[N@@H+]1C[C@@H](C(=O)N(C)C)[C@]2(C1)Cc1ccccc1C(=O)N2 ZINC000072334454 205328510 /nfs/dbraw/zinc/32/85/10/205328510.db2.gz FERLSKBONSRGAF-WMZHIEFXSA-N 1 0 393.487 1.940 40 0 GDABRO CC(=O)N[C@@H]1CCc2ccc(S(=O)(=O)NC3CC[NH+](C(C)C)CC3)cc21 ZINC000072345799 205329117 /nfs/dbraw/zinc/32/91/17/205329117.db2.gz NBWBDELTDOCURC-LJQANCHMSA-N 1 0 379.526 1.961 40 0 GDABRO C[N@@H+]1CC[C@@H](c2nn(CCNC(=O)Cc3cccc(F)c3)c3nccnc23)C1 ZINC000072391671 205342186 /nfs/dbraw/zinc/34/21/86/205342186.db2.gz OZOFRDAMKZYZAR-OAHLLOKOSA-N 1 0 382.443 1.743 40 0 GDABRO C[NH+](C)CCCNC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224439093 206020360 /nfs/dbraw/zinc/02/03/60/206020360.db2.gz OFSOJRKZTKHQEQ-UHFFFAOYSA-N 1 0 377.457 1.579 40 0 GDABRO CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]Cc3cnccc3Cl)[C@@H](O)[C@H]2O1 ZINC000225511169 206053040 /nfs/dbraw/zinc/05/30/40/206053040.db2.gz FANZPVGDVBXBMY-UUWMRLDISA-N 1 0 383.876 1.025 40 0 biogenic,in-vitro GDABRO CNC(=O)c1sc2nccnc2c1[C@@H]1CC[N@H+](CC2(O)CCOCC2)C1 ZINC000257205760 206160227 /nfs/dbraw/zinc/16/02/27/206160227.db2.gz BAMBMLJJFBPGKY-GFCCVEGCSA-N 1 0 376.482 1.382 40 0 GDABRO COc1cc2c(cc1CN1CCn3c(nnc3[C@@H]3CCCC[NH2+]3)C1)OCCO2 ZINC000257289753 206173049 /nfs/dbraw/zinc/17/30/49/206173049.db2.gz QAANTECYKTVBPX-HNNXBMFYSA-N 1 0 385.468 1.888 40 0 GDABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3cccc(F)c3)CC2)CC1 ZINC000257294131 206174143 /nfs/dbraw/zinc/17/41/43/206174143.db2.gz QSQSCFSYRQDTNH-NRFANRHFSA-N 1 0 391.487 1.783 40 0 GDABRO COCC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257313431 206177879 /nfs/dbraw/zinc/17/78/79/206177879.db2.gz USJAKRWLHYUYKO-IRFCIJBXSA-N 1 0 376.497 1.323 40 0 GDABRO [NH3+]CCCOc1cccc(C(=O)N2C[C@@H](O)[C@@H](Cc3cn4ccnc4cn3)C2)c1 ZINC000257244278 206166379 /nfs/dbraw/zinc/16/63/79/206166379.db2.gz IKQUJGKYTFPVIS-QFBILLFUSA-N 1 0 395.463 1.133 40 0 GDABRO C[C@]12C[C@@H](Cc3ccccc3)[N@H+](CC(=O)N3CCOCC3)[C@H]1CCCCC(=O)N2 ZINC000257267796 206170286 /nfs/dbraw/zinc/17/02/86/206170286.db2.gz MITRSCYJLKOFET-QTEQDKRBSA-N 1 0 399.535 1.980 40 0 GDABRO O=C(c1ccco1)N1CCc2nc3n(c(=O)c2C1)CC[C@@]31CC[N@H+](CC2CC2)C1 ZINC000306137563 206203971 /nfs/dbraw/zinc/20/39/71/206203971.db2.gz QZXSFYMQSCADBU-JOCHJYFZSA-N 1 0 394.475 1.792 40 0 GDABRO Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2cc(N(C)C)cn[nH+]2)CC1 ZINC000224316071 136206670 /nfs/dbraw/zinc/20/66/70/136206670.db2.gz ODPFUAFFQRHGCS-UHFFFAOYSA-N 1 0 379.461 1.501 40 0 GDABRO O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(CN(Cc4ccccc4F)C3)[N@@H+]2C1 ZINC000514290417 560029533 /nfs/dbraw/zinc/02/95/33/560029533.db2.gz YRTDFOPRXWXILV-VQTJNVASSA-N 1 0 382.483 1.726 40 0 biogenic,in-vitro GDABRO O=C(CN1CCNC(=O)C1)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC000019718819 570209869 /nfs/dbraw/zinc/20/98/69/570209869.db2.gz FIZJNSPOPVXFNY-GOSISDBHSA-N 1 0 392.931 1.805 40 0 GDABRO COc1cccc(CNc2cc(-c3ccncc3)nc(NCC[NH+](C)C)n2)c1 ZINC000329000719 570211416 /nfs/dbraw/zinc/21/14/16/570211416.db2.gz KCOIGWVYQUYGRZ-UHFFFAOYSA-N 1 0 378.480 1.977 40 0 GDABRO CC1CC[NH+](CC(=O)N2CCO[C@@H](C(=O)N3CCc4ccccc4C3)C2)CC1 ZINC000019747854 570213971 /nfs/dbraw/zinc/21/39/71/570213971.db2.gz FKCPEENTRXWPKI-HXUWFJFHSA-N 1 0 385.508 1.531 40 0 GDABRO C[N@@H+]1CCC[C@H](NC(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)C1 ZINC000019751302 570215560 /nfs/dbraw/zinc/21/55/60/570215560.db2.gz FTAJTDVUJCAXDU-KRWDZBQOSA-N 1 0 386.427 1.450 40 0 GDABRO O=C([C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccncc3)CC2)O1)N1CCOCC1 ZINC000096243714 570223781 /nfs/dbraw/zinc/22/37/81/570223781.db2.gz XOZVRZBRRIRZQB-SFHVURJKSA-N 1 0 397.479 1.027 40 0 GDABRO C[N@H+](Cc1cccc(CN2CCOCC2)c1)C[C@]1(O)CCN(c2ncccn2)C1 ZINC000585271480 570238233 /nfs/dbraw/zinc/23/82/33/570238233.db2.gz FTYNDMUJFTYBSX-JOCHJYFZSA-N 1 0 397.523 1.382 40 0 GDABRO COc1cccc(N2CCC(O)(C[N@@H+]3CCO[C@](C)(C(=O)N(C)C)C3)CC2)c1 ZINC000585282131 570250060 /nfs/dbraw/zinc/25/00/60/570250060.db2.gz AOEFIUDQELEGRJ-FQEVSTJZSA-N 1 0 391.512 1.206 40 0 GDABRO O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000585283693 570251760 /nfs/dbraw/zinc/25/17/60/570251760.db2.gz GUUIIYOPULRUII-AZUAARDMSA-N 1 0 376.403 1.693 40 0 GDABRO CC(=O)N1CC[N@H+](CC2(O)CCN(c3ccc(C)cc3)CC2)C[C@H](CO)C1 ZINC000585285238 570254401 /nfs/dbraw/zinc/25/44/01/570254401.db2.gz WRWBWJTWWYSXIR-IBGZPJMESA-N 1 0 375.513 1.099 40 0 GDABRO COc1ccc([C@@H](CNC(=O)N2CCC(=O)N(C)CC2)[NH+](C)C)cc1OC ZINC000663435783 570264089 /nfs/dbraw/zinc/26/40/89/570264089.db2.gz DFSYRMPWBIMHIC-OAHLLOKOSA-N 1 0 378.473 1.180 40 0 GDABRO CCOc1ccccc1NC(=O)C[C@@H]1N=C(NC(=[NH2+])Nc2ccccc2)NC1=O ZINC000020635248 570273452 /nfs/dbraw/zinc/27/34/52/570273452.db2.gz ILSSPADKAGIJHY-HNNXBMFYSA-N 1 0 394.435 1.905 40 0 GDABRO CCN1C(=O)[C@H]2C[N@H+](CCOC)C[C@H]2C12CCN(C(=O)Cc1ccccc1)CC2 ZINC000107180494 570308499 /nfs/dbraw/zinc/30/84/99/570308499.db2.gz LNHQJEUWKLYNEJ-VQTJNVASSA-N 1 0 399.535 1.647 40 0 GDABRO Cc1ccc(C)c2[nH]c(=O)c(CN(CCO)C(=S)NCCC[NH+](C)C)cc12 ZINC000004132858 570617785 /nfs/dbraw/zinc/61/77/85/570617785.db2.gz INVRQVIXOKAIQY-UHFFFAOYSA-N 1 0 390.553 1.765 40 0 GDABRO CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)[C@@H](C)[NH+]1CCCCC1)C2 ZINC000019079304 570955730 /nfs/dbraw/zinc/95/57/30/570955730.db2.gz IZEKVUOHARMYHE-BEFAXECRSA-N 1 0 385.512 1.919 40 0 GDABRO O=C(C1CCC1)N1CCc2c(=O)[nH]c([C@H]3CC[N@H+](Cc4cccnc4)C3)nc2C1 ZINC000019338881 570976626 /nfs/dbraw/zinc/97/66/26/570976626.db2.gz SUBZFIPKRAEWJN-KRWDZBQOSA-N 1 0 393.491 1.839 40 0 GDABRO O=C([C@@H]1CC(=O)Nc2ccccc21)N1CCC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019374863 570981598 /nfs/dbraw/zinc/98/15/98/570981598.db2.gz VTLJLCPWYKKEGA-WMLDXEAASA-N 1 0 391.475 1.954 40 0 GDABRO CCOc1ccccc1C(=O)N1CC[C@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019520030 570993599 /nfs/dbraw/zinc/99/35/99/570993599.db2.gz UTADBDUXVYHETK-AWEZNQCLSA-N 1 0 380.452 1.813 40 0 GDABRO CN(C)C(=O)c1sc2nccnc2c1[C@H]1CC[N@H+](CC2(O)CCOCC2)C1 ZINC000585180149 570999615 /nfs/dbraw/zinc/99/96/15/570999615.db2.gz OVUJOEGWNKNNFC-ZDUSSCGKSA-N 1 0 390.509 1.724 40 0 GDABRO COc1cccc(OC)c1OCC(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019568211 571008844 /nfs/dbraw/zinc/00/88/44/571008844.db2.gz YYRSWODAYJMXHR-MRXNPFEDSA-N 1 0 398.463 1.882 40 0 GDABRO COc1ccccc1N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2Cn2cccn2)CC1 ZINC000019658059 571024262 /nfs/dbraw/zinc/02/42/62/571024262.db2.gz CKACUAVYJIFTFX-GOSISDBHSA-N 1 0 383.496 1.705 40 0 GDABRO Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H]1c1nnc2n1CC[N@@H+](C)CC2 ZINC000019706347 571032287 /nfs/dbraw/zinc/03/22/87/571032287.db2.gz ZASLGVOLHYZUJX-OAHLLOKOSA-N 1 0 393.488 1.739 40 0 GDABRO C[NH+](C)CCCNc1nc(NCCc2ccccn2)cc(-c2cccnc2)n1 ZINC000328965246 571047464 /nfs/dbraw/zinc/04/74/64/571047464.db2.gz CBOKJIRFIVVENH-UHFFFAOYSA-N 1 0 377.496 1.796 40 0 GDABRO CN(C)C(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@H+](Cc1cnn(C)c1)CCC2 ZINC000096056124 571098422 /nfs/dbraw/zinc/09/84/22/571098422.db2.gz QSDDMFSRLXQBGP-RXVVDRJESA-N 1 0 382.512 1.622 40 0 GDABRO Cn1nc(C(=O)N2CCC3(C[C@@H]([NH+]4CCN(C)CC4)CO3)CC2)c2ccccc21 ZINC000096074163 571098595 /nfs/dbraw/zinc/09/85/95/571098595.db2.gz VLIBHOOVXQGLJV-QGZVFWFLSA-N 1 0 397.523 1.584 40 0 GDABRO CC(C)[N@@H+]1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)NCc1cccs1)N2C ZINC000035442463 204220286 /nfs/dbraw/zinc/22/02/86/204220286.db2.gz JJHKWOGNPUSWDO-LESCRADOSA-N 1 0 378.542 1.426 40 0 biogenic,in-vitro GDABRO COc1ccc(S(=O)(=O)N(C)Cc2cc(C3CC[NH2+]CC3)nn2C)cc1 ZINC000019710188 204672975 /nfs/dbraw/zinc/67/29/75/204672975.db2.gz ZZAKDPDGYMCQHY-UHFFFAOYSA-N 1 0 378.498 1.716 40 0 GDABRO [NH3+]CCN1C(=O)CO[C@H](c2ccc(NC(=O)C3CCCCC3)cc2)[C@H]1CO ZINC000072321365 205030938 /nfs/dbraw/zinc/03/09/38/205030938.db2.gz MOQXTZAHRFGRIX-IEBWSBKVSA-N 1 0 375.469 1.425 40 0 biogenic,in-vitro GDABRO CS(=O)(=O)N1CCC(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000045748165 205097022 /nfs/dbraw/zinc/09/70/22/205097022.db2.gz IHVYPXBVOFHJDA-UHFFFAOYSA-N 1 0 393.553 1.960 40 0 GDABRO O=C(NCCC[NH+]1CCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000061239024 205181650 /nfs/dbraw/zinc/18/16/50/205181650.db2.gz LCAZRKIQSRPXQL-UHFFFAOYSA-N 1 0 379.526 1.689 40 0 GDABRO COCCOc1ccc(C(=O)N2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)cc1 ZINC000072390974 205341045 /nfs/dbraw/zinc/34/10/45/205341045.db2.gz SBSUTFYVXSIING-MRXNPFEDSA-N 1 0 382.464 1.777 40 0 GDABRO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1 ZINC000072397284 205344423 /nfs/dbraw/zinc/34/44/23/205344423.db2.gz DIRITEQKSBYVHE-HKUYNNGSSA-N 1 0 399.539 1.962 40 0 GDABRO O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000225086532 206035637 /nfs/dbraw/zinc/03/56/37/206035637.db2.gz JAHMKXAFRFAQFS-UHFFFAOYSA-N 1 0 379.482 1.494 40 0 GDABRO CS(=O)(=O)N1[C@@H](CC(=O)N(Cc2ccccc2F)C2CC2)CC[C@H]1C[NH3+] ZINC000257295780 206174809 /nfs/dbraw/zinc/17/48/09/206174809.db2.gz QZUYOQOMNNRVBL-CVEARBPZSA-N 1 0 383.489 1.458 40 0 GDABRO Cn1nccc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCCC1 ZINC000257250414 206165512 /nfs/dbraw/zinc/16/55/12/206165512.db2.gz JMKLULNEDITAON-YSHGAJCASA-N 1 0 388.443 1.334 40 0 GDABRO COc1ccc(C[N@H+](C)C[C@]2(O)CCCN(C(=O)c3c[nH]c(=O)[nH]3)CC2)cc1 ZINC000257338335 206180859 /nfs/dbraw/zinc/18/08/59/206180859.db2.gz YWXZMUZMVTZVSP-FQEVSTJZSA-N 1 0 388.468 1.613 40 0 GDABRO C[NH+]1CCC2(CCCN(C(=O)c3ccsc3)[C@H]2CNS(C)(=O)=O)CC1 ZINC000306138771 206205703 /nfs/dbraw/zinc/20/57/03/206205703.db2.gz SGVDWDKIYRKONO-HNNXBMFYSA-N 1 0 385.555 1.614 40 0 GDABRO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@]1(CC[N@H+](Cc3ccco3)C1)C2 ZINC000306139810 206206066 /nfs/dbraw/zinc/20/60/66/206206066.db2.gz UBJITNWPINKIOZ-OAQYLSRUSA-N 1 0 396.422 1.634 40 0 GDABRO Cn1nccc1[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@]12CCCN(C)C2=O ZINC000306129054 206198426 /nfs/dbraw/zinc/19/84/26/206198426.db2.gz HSQYOOFZPNODOP-HRAATJIYSA-N 1 0 382.464 1.987 40 0 GDABRO Cc1cccc(S(=O)(=O)NC[C@@H]2CC[C@@]3(COCC[N@@H+](C(C)C)C3)O2)c1 ZINC000306130223 206199749 /nfs/dbraw/zinc/19/97/49/206199749.db2.gz IZKVDZSSLUJNGR-PKOBYXMFSA-N 1 0 382.526 1.932 40 0 GDABRO C[NH+](C)CCN1Cc2cnnn2-c2ccc(-c3cccnc3)cc2S1(=O)=O ZINC000306133525 206200458 /nfs/dbraw/zinc/20/04/58/206200458.db2.gz MNYZGBQQKHGZAN-UHFFFAOYSA-N 1 0 384.465 1.395 40 0 GDABRO O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@@H]1CC[N@H+](Cc3ccco3)C[C@H]21 ZINC000306131456 206200769 /nfs/dbraw/zinc/20/07/69/206200769.db2.gz KEYILSCNPSFKDZ-WMZOPIPTSA-N 1 0 378.432 1.666 40 0 GDABRO CN(C)C(=O)COCC[C@H]1CO[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]12 ZINC000306132222 206201051 /nfs/dbraw/zinc/20/10/51/206201051.db2.gz LCBRBAWTJWHUKE-BXWFABGCSA-N 1 0 376.453 1.357 40 0 GDABRO O=C(NC1CCC1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306133303 206201339 /nfs/dbraw/zinc/20/13/39/206201339.db2.gz MHXKAZGMKDXGHL-LSDHHAIUSA-N 1 0 395.463 1.593 40 0 GDABRO CC(C)NC(=O)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306134948 206203231 /nfs/dbraw/zinc/20/32/31/206203231.db2.gz OCDNXFLDVUEVAH-LSDHHAIUSA-N 1 0 383.452 1.449 40 0 GDABRO CN(C)c1cn[nH+]c(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1 ZINC000224309725 136206666 /nfs/dbraw/zinc/20/66/66/136206666.db2.gz FLAVACZYRJKMDT-UHFFFAOYSA-N 1 0 375.860 1.924 40 0 GDABRO CCc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cn[nH+]3)CC2)cc1 ZINC000224314610 136206750 /nfs/dbraw/zinc/20/67/50/136206750.db2.gz ZBGMQNWRFZTJKB-UHFFFAOYSA-N 1 0 375.498 1.616 40 0 GDABRO COc1ccccc1C(=O)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224328208 136206953 /nfs/dbraw/zinc/20/69/53/136206953.db2.gz OIVUBWLQNCNVCA-UHFFFAOYSA-N 1 0 383.452 1.284 40 0 GDABRO COc1ccc(S(=O)(=O)N2CCc3c(C[NH+]4CCCC4)nn(C)c3C2)cc1 ZINC000096084182 570210388 /nfs/dbraw/zinc/21/03/88/570210388.db2.gz HGJTYYDMOCJPOG-UHFFFAOYSA-N 1 0 390.509 1.772 40 0 GDABRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccn(CC(=O)NCc2ccccc2)c1=O ZINC000019750201 570215538 /nfs/dbraw/zinc/21/55/38/570215538.db2.gz HLZASFRDGJEPBY-GOSISDBHSA-N 1 0 396.491 1.379 40 0 GDABRO COC(=O)C1=C(O)NC(N2CCN(c3ccccc3)CC2)=[NH+][C@H]1c1ccccc1 ZINC000019818033 570222021 /nfs/dbraw/zinc/22/20/21/570222021.db2.gz BAOGJRLPPPZHLY-OALUTQOASA-N 1 0 392.459 1.825 40 0 GDABRO COc1cccc(N2CCC(O)(C[N@H+](C)[C@]3(C)CCS(=O)(=O)C3)CC2)c1 ZINC000585283234 570251226 /nfs/dbraw/zinc/25/12/26/570251226.db2.gz MJQWXWZFKXTOPW-GOSISDBHSA-N 1 0 382.526 1.536 40 0 GDABRO CCOC(=O)C1=C(O)NC(N2CCN(CC)CC2)=[NH+][C@@H]1c1cccc(Cl)c1 ZINC000020801607 570281352 /nfs/dbraw/zinc/28/13/52/570281352.db2.gz HYNYRLSWKVYECI-JKSUJKDBSA-N 1 0 392.887 1.684 40 0 GDABRO COc1cc(CN2C[C@H](O)[C@@H]([NH+]3CCC(F)(F)CC3)C2)ccc1OCCO ZINC000257319764 570487367 /nfs/dbraw/zinc/48/73/67/570487367.db2.gz VTZDLDWYZDLUDK-HOTGVXAUSA-N 1 0 386.439 1.343 40 0 GDABRO O[C@@H]1C[C@@H]2C[N@H+](CCc3ccccc3)CC3(CN(Cc4ccccn4)C3)N2C1 ZINC000514289543 570492788 /nfs/dbraw/zinc/49/27/88/570492788.db2.gz NVDOZGNQRGMGPA-FGZHOGPDSA-N 1 0 378.520 1.630 40 0 biogenic,in-vitro GDABRO Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1S(=O)(=O)N1CCCC1 ZINC000010450165 570790978 /nfs/dbraw/zinc/79/09/78/570790978.db2.gz CXCXYIIHOMXPIW-UHFFFAOYSA-N 1 0 379.526 1.995 40 0 GDABRO COc1ccc(N([C@@H](C)C(=O)NCCC[NH+]2CCCC2)S(C)(=O)=O)cc1 ZINC000010450081 570791026 /nfs/dbraw/zinc/79/10/26/570791026.db2.gz XALOANHYFXRPAR-HNNXBMFYSA-N 1 0 383.514 1.452 40 0 GDABRO CSCC[C@@H]1[NH2+][C@]2(c3ccccc3N(C)C2=O)[C@@H]2C(=O)N(C(C)C)C(=O)[C@H]21 ZINC000015277594 570885493 /nfs/dbraw/zinc/88/54/93/570885493.db2.gz LXNBVGNNHRSPEL-XCGRYBKZSA-N 1 0 387.505 1.593 40 0 GDABRO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@@H+](C)CC(=O)N(C)C)CC2)nn1C ZINC000257246851 570894211 /nfs/dbraw/zinc/89/42/11/570894211.db2.gz IWCIHLPCKWBXRZ-QAQDUYKDSA-N 1 0 377.533 1.692 40 0 GDABRO O=C1C2=C([NH+]=C(N3CCOCC3)N[C@H]2c2ccccc2)C(O)N1c1ccccc1 ZINC000226311045 570954462 /nfs/dbraw/zinc/95/44/62/570954462.db2.gz JJTLWUIQOGYFCE-GBESFXJTSA-N 1 0 390.443 1.577 40 0 GDABRO CC(C)(C)N1C[C@H](C(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)CC1=O ZINC000019082840 570956323 /nfs/dbraw/zinc/95/63/23/570956323.db2.gz TWDHHDJXAFPPRT-LSDHHAIUSA-N 1 0 385.512 1.475 40 0 GDABRO COc1c(C)cccc1C[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1 ZINC000019235906 570966074 /nfs/dbraw/zinc/96/60/74/570966074.db2.gz ZFYHEMQHFZDBOR-MRXNPFEDSA-N 1 0 384.480 1.913 40 0 GDABRO O=c1ccc(-c2cccs2)nn1CC1(O)CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000019344511 570977696 /nfs/dbraw/zinc/97/76/96/570977696.db2.gz ZUIZHSMZBWSXBV-HNNXBMFYSA-N 1 0 375.494 1.835 40 0 GDABRO CCN1C[C@@H](C(=O)N2CC[C@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)CC1=O ZINC000019526853 570997658 /nfs/dbraw/zinc/99/76/58/570997658.db2.gz DUZDSMPUWPHXOV-HOTGVXAUSA-N 1 0 398.511 1.177 40 0 GDABRO C[N@@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(S(C)(=O)=O)CC1 ZINC000019587771 571015823 /nfs/dbraw/zinc/01/58/23/571015823.db2.gz YTDWTAMPRCHDRC-WMLDXEAASA-N 1 0 383.489 1.756 40 0 GDABRO CN(C[C@@H]1OCCc2ccccc21)C(=O)C[C@H]1C(=O)NCC[N@@H+]1C1CCCC1 ZINC000019586029 571015849 /nfs/dbraw/zinc/01/58/49/571015849.db2.gz BQSGOSKDQZGTIC-PMACEKPBSA-N 1 0 385.508 1.892 40 0 GDABRO CC(=O)N1CCN(c2cc(C)[nH+]c([C@@H]3CCCN3C(=O)c3ccnn3C)c2)CC1 ZINC000019698326 571030899 /nfs/dbraw/zinc/03/08/99/571030899.db2.gz ZRKIFGGLOVXVGG-IBGZPJMESA-N 1 0 396.495 1.769 40 0 GDABRO CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CCN(C(=O)c1c(C)cc(C)n(C)c1=O)C2 ZINC000019707505 571032723 /nfs/dbraw/zinc/03/27/23/571032723.db2.gz LLLBFCORIGCYRQ-HNNXBMFYSA-N 1 0 396.495 1.457 40 0 GDABRO O=C(CN1CCc2ccccc2C1)N1CCC[C@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019709207 571033736 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CC(=O)N1CCC([N@@H+]2CC[C@H](O)[C@@](O)(COc3cccc(F)c3F)C2)CC1 ZINC000585287510 570258548 /nfs/dbraw/zinc/25/85/48/570258548.db2.gz NLOSPXABMKFITN-HKUYNNGSSA-N 1 0 384.423 1.152 40 0 GDABRO COc1cc(NC(=O)CN2CCC([NH+]3CCCCC3)CC2)ccc1-n1cnnn1 ZINC000001339020 570260923 /nfs/dbraw/zinc/26/09/23/570260923.db2.gz GZMWYZHLJJBQDX-UHFFFAOYSA-N 1 0 399.499 1.560 40 0 GDABRO COc1ccc(NC(=O)C[C@@H]2N=C(NC(=[NH2+])Nc3ccccc3)NC2=O)cc1 ZINC000020635224 570273542 /nfs/dbraw/zinc/27/35/42/570273542.db2.gz PHPBZBSGOFSYKH-HNNXBMFYSA-N 1 0 380.408 1.515 40 0 GDABRO CCOc1cc(C[NH2+]CCN2CCOCC2)ccc1OCC(=O)NC(C)(C)C ZINC000022075871 570305185 /nfs/dbraw/zinc/30/51/85/570305185.db2.gz ZLSOECLBCUUONL-UHFFFAOYSA-N 1 0 393.528 1.801 40 0 GDABRO COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(C[NH+](CCC(C)C)C3)C2)cc1 ZINC000604381873 570352599 /nfs/dbraw/zinc/35/25/99/570352599.db2.gz SKGSPDJUYGXCLY-LJQANCHMSA-N 1 0 387.524 1.952 40 0 biogenic,in-vitro GDABRO O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCc1ccc(-n2ccnc2)cc1 ZINC000138262497 570486340 /nfs/dbraw/zinc/48/63/40/570486340.db2.gz RCVYINALNDQECD-HDICACEKSA-N 1 0 378.432 1.830 40 0 GDABRO COc1ccc2c(c1)c(C[N@@H+]1CCC[C@H](C(=O)N3CCCC3)C1)cn2CC(N)=O ZINC000012364440 570646637 /nfs/dbraw/zinc/64/66/37/570646637.db2.gz TWWQZWNLFPCDGH-INIZCTEOSA-N 1 0 398.507 1.970 40 0 GDABRO Cc1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)cn1 ZINC000012366355 570647145 /nfs/dbraw/zinc/64/71/45/570647145.db2.gz CAHDKWVNFDAQHR-HTZLVSCSSA-N 1 0 381.480 1.777 40 0 GDABRO CCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000585106117 570935830 /nfs/dbraw/zinc/93/58/30/570935830.db2.gz NIDPBXVRLGXATL-SJORKVTESA-N 1 0 377.510 1.298 40 0 GDABRO NC(=O)[C@H]1CCCN(C(=O)c2cc(C3CC[NH+](Cc4cccnc4)CC3)no2)C1 ZINC000019338934 570976596 /nfs/dbraw/zinc/97/65/96/570976596.db2.gz RMWBRXVIWRHWLB-KRWDZBQOSA-N 1 0 397.479 1.787 40 0 GDABRO O=C(COc1ccccc1F)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21 ZINC000019350242 570979086 /nfs/dbraw/zinc/97/90/86/570979086.db2.gz RNKNEQUFGZRHON-AWEZNQCLSA-N 1 0 383.427 1.843 40 0 GDABRO CCN1C[C@H](C(=O)N2CC[C@@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)CC1=O ZINC000019526852 570997623 /nfs/dbraw/zinc/99/76/23/570997623.db2.gz DUZDSMPUWPHXOV-HZPDHXFCSA-N 1 0 398.511 1.177 40 0 GDABRO COc1cc(CCC(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)on1 ZINC000019590387 571017843 /nfs/dbraw/zinc/01/78/43/571017843.db2.gz VAMPQNZMRLHDRL-AWEZNQCLSA-N 1 0 385.468 1.800 40 0 GDABRO C[N@@H+]1CCc2nc([C@@H]3CCN(C(=O)Cn4cnc5ccccc54)C3)ncc2C1 ZINC000019590624 571018255 /nfs/dbraw/zinc/01/82/55/571018255.db2.gz JZNINTLIVPQHGL-OAHLLOKOSA-N 1 0 376.464 1.830 40 0 GDABRO CC(=O)N1CCN(c2cc(C)[nH+]c([C@@H]3CCCN3C(=O)c3cnn(C)c3)c2)CC1 ZINC000019698338 571031011 /nfs/dbraw/zinc/03/10/11/571031011.db2.gz QMPOQHAJBVXUPA-FQEVSTJZSA-N 1 0 396.495 1.769 40 0 GDABRO CNc1nc([C@H]2CCC[NH2+]2)nc2c1CCN(C(=O)c1c(C)cc(C)n(C)c1=O)C2 ZINC000019707506 571032705 /nfs/dbraw/zinc/03/27/05/571032705.db2.gz LLLBFCORIGCYRQ-OAHLLOKOSA-N 1 0 396.495 1.457 40 0 GDABRO 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ZINC000072374901 205338556 /nfs/dbraw/zinc/33/85/56/205338556.db2.gz TYDNDRROVQCCFH-CQSZACIVSA-N 1 0 376.486 1.909 40 0 GDABRO C[N@@H+]1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)C[C@H]2CC(C)(C)OC2=O)C3)C1 ZINC000072397275 205343310 /nfs/dbraw/zinc/34/33/10/205343310.db2.gz WFJXFSUGYKFXCX-CABCVRRESA-N 1 0 386.496 1.902 40 0 GDABRO Cn1ccnc1C[NH2+]C[C@H]1Cn2c(-c3ccc4c(c3)OCCO4)cnc2CO1 ZINC000096296439 206120360 /nfs/dbraw/zinc/12/03/60/206120360.db2.gz PBEWQYWVASRQMJ-HNNXBMFYSA-N 1 0 381.436 1.743 40 0 biogenic,in-vitro GDABRO C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCCN(S(=O)(=O)c2cn[nH]c2)CC1 ZINC000257213115 206159525 /nfs/dbraw/zinc/15/95/25/206159525.db2.gz CGFKISBRLUWWFN-GOSISDBHSA-N 1 0 396.488 1.587 40 0 GDABRO Cn1nccc1C(=O)NC[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCC1 ZINC000257215041 206161034 /nfs/dbraw/zinc/16/10/34/206161034.db2.gz COJYQJGKHJTIDT-LDTOTXGLSA-N 1 0 384.480 1.443 40 0 GDABRO COc1ccc(C[N@@H+]2CC[C@@H](c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)cc1 ZINC000257275147 206171352 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ZINC000224329016 136206836 /nfs/dbraw/zinc/20/68/36/136206836.db2.gz LAQQUDQTJWYIQU-UHFFFAOYSA-N 1 0 383.452 1.041 40 0 GDABRO O=C(Cc1ccccc1)N1CC2(C1)C[N@@H+](Cc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514290354 560029811 /nfs/dbraw/zinc/02/98/11/560029811.db2.gz XTTCVRAIIHAAFQ-FGZHOGPDSA-N 1 0 391.515 1.761 40 0 biogenic,in-vitro GDABRO CN(C)CC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](Cc2ccccn2)C1 ZINC000003841945 560190296 /nfs/dbraw/zinc/19/02/96/560190296.db2.gz WQQHZYQWHKOVLY-JKSUJKDBSA-N 1 0 381.480 1.363 40 0 biogenic,in-vitro GDABRO CNC(=O)[C@@]12CCC3(CCN(C(=O)Cc4cccc(OC)c4)CC3)[C@@H]1C[N@H+](C)C2 ZINC000096143831 570213543 /nfs/dbraw/zinc/21/35/43/570213543.db2.gz BOFYDKNIYRHFIA-WMZHIEFXSA-N 1 0 399.535 1.934 40 0 GDABRO C[NH+]1CCC(C(=O)N2CC(C(=O)NCc3ccccc3N3CCCC3)C2)CC1 ZINC000019747518 570213924 /nfs/dbraw/zinc/21/39/24/570213924.db2.gz JKTIUGJCDOUFLF-UHFFFAOYSA-N 1 0 384.524 1.703 40 0 GDABRO O=C(COc1ccccc1F)N1CC[C@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000019748004 570214304 /nfs/dbraw/zinc/21/43/04/570214304.db2.gz AYQAQODVUJRMLW-INIZCTEOSA-N 1 0 377.460 1.655 40 0 GDABRO O=C(Cn1cc(NC(=O)c2ccccn2)cn1)N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000019749827 570215142 /nfs/dbraw/zinc/21/51/42/570215142.db2.gz WFQIZZMNUKPGHI-QGZVFWFLSA-N 1 0 396.495 1.865 40 0 GDABRO COC(=O)C1=C(O)NC(N2CCN(c3ccccc3)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000019818031 570221918 /nfs/dbraw/zinc/22/19/18/570221918.db2.gz BAOGJRLPPPZHLY-RBUKOAKNSA-N 1 0 392.459 1.825 40 0 GDABRO C[N@H+](CCO)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)c1ccccc1F ZINC000585262315 570230223 /nfs/dbraw/zinc/23/02/23/570230223.db2.gz VRSVVUYIOQWGFC-ZRNYENFQSA-N 1 0 388.439 1.429 40 0 GDABRO O=C(Cc1ccccc1)N1CC[C@](O)(C[NH2+]Cc2ccccc2Cl)[C@@H](O)C1 ZINC000585283050 570251455 /nfs/dbraw/zinc/25/14/55/570251455.db2.gz AXCAPOMBFFGLGV-FPOVZHCZSA-N 1 0 388.895 1.997 40 0 GDABRO Cc1cccc(N2CCC(O)(C[N@@H+]3CCO[C@@](C)(C(=O)N(C)C)C3)CC2)c1 ZINC000585285542 570254952 /nfs/dbraw/zinc/25/49/52/570254952.db2.gz ZMJCCOLUNDUNAH-HXUWFJFHSA-N 1 0 375.513 1.505 40 0 GDABRO CCOC(=O)N1CCC([N@@H+]2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585287893 570258994 /nfs/dbraw/zinc/25/89/94/570258994.db2.gz UQSHTXXZZILIQY-FQEVSTJZSA-N 1 0 396.459 1.889 40 0 GDABRO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@@H+](C)CC(=O)N(C)C)CC2)nn1C ZINC000100687653 570274671 /nfs/dbraw/zinc/27/46/71/570274671.db2.gz IWCIHLPCKWBXRZ-CALCHBBNSA-N 1 0 377.533 1.692 40 0 GDABRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@@H](C)C[NH+](C)C)C2)cc1 ZINC000022258787 570311590 /nfs/dbraw/zinc/31/15/90/570311590.db2.gz FXTCKUYSNBTVMY-IAGOWNOFSA-N 1 0 381.542 1.710 40 0 GDABRO O=C(NC[C@@H]1CC[N@@H+]1C1CC1)N1CC(O)(c2cccc(Br)c2)C1 ZINC000685939025 570397379 /nfs/dbraw/zinc/39/73/79/570397379.db2.gz YVHVZLCMKOHCII-HNNXBMFYSA-N 1 0 380.286 1.899 40 0 GDABRO CC[N@@H+]1C[C@@H]2CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14 ZINC000072332864 570440006 /nfs/dbraw/zinc/44/00/06/570440006.db2.gz VCOQRRVEIUTMFC-IZGTZTBCSA-N 1 0 377.525 1.515 40 0 GDABRO C[NH+]1CCC(CN2CC[C@@]3(CCCN(C(=O)[C@@H]4[C@@H]5COC[C@@H]54)C3)C2=O)CC1 ZINC000585101016 570928513 /nfs/dbraw/zinc/92/85/13/570928513.db2.gz VQNVGXYQESQEOL-BMQTXXJKSA-N 1 0 375.513 1.062 40 0 GDABRO Cc1ccc(OCC(=O)N2CCC3(CO[C@H](C[N@@H+]4CC[C@H](O)C4)C3)CC2)cc1 ZINC000585103701 570929121 /nfs/dbraw/zinc/92/91/21/570929121.db2.gz IMJMRRACUZVVJM-ICSRJNTNSA-N 1 0 388.508 1.838 40 0 GDABRO O=C(Cc1ccccn1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC3CCCC3)C[C@@H]12 ZINC000585106255 570936347 /nfs/dbraw/zinc/93/63/47/570936347.db2.gz IMZYJHRQQJFYCC-UXHICEINSA-N 1 0 396.535 1.853 40 0 GDABRO COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3nccn3C)C[C@@H]21 ZINC000585109763 570938775 /nfs/dbraw/zinc/93/87/75/570938775.db2.gz QMYKQOUYHUXSIG-BBTUJRGHSA-N 1 0 384.480 1.470 40 0 GDABRO C[NH+](C)C[C@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)Cc1ccccn1)CC3 ZINC000585110112 570938994 /nfs/dbraw/zinc/93/89/94/570938994.db2.gz JTJSAHFNPQDOIG-MRXNPFEDSA-N 1 0 381.480 1.205 40 0 GDABRO O=C(Cc1ccc2c(c1)OCCO2)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019345640 570977672 /nfs/dbraw/zinc/97/76/72/570977672.db2.gz DRXZNRZPLHFYNV-KRWDZBQOSA-N 1 0 380.448 1.800 40 0 GDABRO CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)C[N@H+]2CCCC[C@H]2C)C3)CC1 ZINC000019496345 570989264 /nfs/dbraw/zinc/98/92/64/570989264.db2.gz YZVSGLFZWWSKKR-MRXNPFEDSA-N 1 0 399.539 1.962 40 0 GDABRO C[C@@H]1Cc2cc(C(=O)NCCn3nc([C@@H]4CC[NH2+]C4)c4nccnc43)ccc2O1 ZINC000019497995 570990394 /nfs/dbraw/zinc/99/03/94/570990394.db2.gz RLNGZLHOWOWPNB-UKRRQHHQSA-N 1 0 392.463 1.657 40 0 GDABRO COc1cccc(OC)c1C[N@@H+]1CCc2nc(-c3cnccn3)[nH]c(=O)c2CC1 ZINC000019567122 571007981 /nfs/dbraw/zinc/00/79/81/571007981.db2.gz MXULMUIKKGCFRG-UHFFFAOYSA-N 1 0 393.447 1.845 40 0 GDABRO Cc1nccn1-c1ccc(C[NH+]2CCC(C(N)=O)(N3CCOCC3)CC2)cc1 ZINC000019659165 571025133 /nfs/dbraw/zinc/02/51/33/571025133.db2.gz MFAVMCPPUPGZLJ-UHFFFAOYSA-N 1 0 383.496 1.333 40 0 GDABRO CC(C)CC(=O)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](C(C)C)CC3)C2=O)C1 ZINC000019699840 571031015 /nfs/dbraw/zinc/03/10/15/571031015.db2.gz CAKRYROGTVZSOR-MRXNPFEDSA-N 1 0 378.517 1.818 40 0 GDABRO CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)C[NH+](C)C)nc(N(C)C)c2C1 ZINC000019711574 571035601 /nfs/dbraw/zinc/03/56/01/571035601.db2.gz JJECZKCMOGFWHR-QGZVFWFLSA-N 1 0 388.516 1.062 40 0 GDABRO C[C@H](C(=O)NC1CC[NH+](C)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113967303 530891871 /nfs/dbraw/zinc/89/18/71/530891871.db2.gz VQYYRUAAQINALP-LLVKDONJSA-N 1 0 375.441 1.330 40 0 GDABRO CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCC[N@H+]2CCCC[C@H]2CC)s1 ZINC000260843175 531092634 /nfs/dbraw/zinc/09/26/34/531092634.db2.gz OOQJSFVYCFIRMO-GFCCVEGCSA-N 1 0 389.547 1.820 40 0 GDABRO C[C@H](C(=O)NCC[NH+](C)C)N1CC[C@@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000012086367 204370594 /nfs/dbraw/zinc/37/05/94/204370594.db2.gz XYIKCOMDRBXDRK-QVKFZJNVSA-N 1 0 387.480 1.469 40 0 GDABRO CCc1nn(CC(=O)NC[C@@H]2CCC[N@H+]2CC)c(=O)c2cc3ccsc3n21 ZINC000012144587 204375458 /nfs/dbraw/zinc/37/54/58/204375458.db2.gz 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CCn1cc(NC(=O)CN2CC[NH2+]C[C@@H]2c2cccc(C(=O)NC)c2)c(C)n1 ZINC000257240246 206165132 /nfs/dbraw/zinc/16/51/32/206165132.db2.gz HSSIKSYECKOXGZ-GOSISDBHSA-N 1 0 384.484 1.156 40 0 GDABRO NC(=O)C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1Oc1ccc(Cl)cc1 ZINC000257249900 206165574 /nfs/dbraw/zinc/16/55/74/206165574.db2.gz JKEYFAIMQXWLQL-YOEHRIQHSA-N 1 0 379.888 1.907 40 0 GDABRO C[N@@H+]1C[C@@H](C(=O)NCc2ccc(F)cc2)OC2(CCN(C(=O)C3CC3)CC2)C1 ZINC000306141452 206206893 /nfs/dbraw/zinc/20/68/93/206206893.db2.gz VWQQREZGWIXAEP-SFHVURJKSA-N 1 0 389.471 1.544 40 0 GDABRO COCCN1CC[C@@H]([NH2+]CC2CC2)[C@]2(CC(C(=O)NC3CCCC3)=NO2)C1 ZINC000306141957 206207861 /nfs/dbraw/zinc/20/78/61/206207861.db2.gz WLIHXIYYHYOGSH-QUCCMNQESA-N 1 0 378.517 1.281 40 0 GDABRO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2C[N@@H+](Cc4cccnc4)C[C@@H]32)cc1 ZINC000306123740 206197633 /nfs/dbraw/zinc/19/76/33/206197633.db2.gz AVCSKQHIGXZHDQ-RBUKOAKNSA-N 1 0 389.459 1.386 40 0 GDABRO Cn1cc(C[NH+]2CCC(c3nnc4ccc(-c5cnn(C)c5)nn43)CC2)cn1 ZINC000306129568 206200112 /nfs/dbraw/zinc/20/01/12/206200112.db2.gz IGZNDUHNSLLWAU-UHFFFAOYSA-N 1 0 377.456 1.638 40 0 GDABRO Cc1cnc(N2CC[C@H]([NH2+]CC3CC3)[C@]3(CC(C(=O)N4CCCC4)=NO3)C2)nc1 ZINC000306133308 206201081 /nfs/dbraw/zinc/20/10/81/206201081.db2.gz MHYOYFJRGZNZRW-RXVVDRJESA-N 1 0 398.511 1.501 40 0 GDABRO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1CC1(C2)CC[NH+](CC2CC2)CC1 ZINC000306133759 206202052 /nfs/dbraw/zinc/20/20/52/206202052.db2.gz MVCSMAFTQPHXOY-UHFFFAOYSA-N 1 0 384.455 1.641 40 0 GDABRO COC(=O)c1ccc(Nc2cc(C3CC3)nc(NCC[NH+](C)C)n2)cc1OC ZINC000329010271 570212091 /nfs/dbraw/zinc/21/20/91/570212091.db2.gz MAKJHMXQNPTXHF-UHFFFAOYSA-N 1 0 385.468 1.710 40 0 GDABRO C[NH+](C)CCCNc1nc(NCCc2ccccn2)cc(-c2ccncc2)n1 ZINC000329022097 570213493 /nfs/dbraw/zinc/21/34/93/570213493.db2.gz OKAFZWYEAKJSGM-UHFFFAOYSA-N 1 0 377.496 1.796 40 0 GDABRO C[N@H+](CCO)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)c1cccc(F)c1 ZINC000585262296 570230136 /nfs/dbraw/zinc/23/01/36/570230136.db2.gz IJMLVFAZMZTRSU-ZRNYENFQSA-N 1 0 388.439 1.429 40 0 GDABRO O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCC(O)CC1)c1ccccc1 ZINC000585262347 570230218 /nfs/dbraw/zinc/23/02/18/570230218.db2.gz SZRQZQGASJVUAN-CZYKHXBRSA-N 1 0 396.487 1.823 40 0 GDABRO COCC(=O)N1CC[N@@H+](C2CCCC2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585281734 570248117 /nfs/dbraw/zinc/24/81/17/570248117.db2.gz QKZFDRGJHIVUDQ-OAQYLSRUSA-N 1 0 376.497 1.838 40 0 GDABRO O=C(CCc1ccccc1)N1CC[C@](O)(C[NH2+]CCOc2ccccc2)[C@@H](O)C1 ZINC000585285196 570254181 /nfs/dbraw/zinc/25/41/81/570254181.db2.gz PAFCEEPJZCJADQ-GMAHTHKFSA-N 1 0 398.503 1.612 40 0 GDABRO Cc1ccccc1N1CCC(O)(C[N@@H+]2CCO[C@](C)(C(=O)N(C)C)C2)CC1 ZINC000585285533 570254831 /nfs/dbraw/zinc/25/48/31/570254831.db2.gz ZEOIHKPYOSEFKB-FQEVSTJZSA-N 1 0 375.513 1.505 40 0 GDABRO O=C(Cc1ccccc1)N1CC[C@](O)(C[NH2+]Cc2ccc(Cl)cc2)[C@@H](O)C1 ZINC000585290196 570258173 /nfs/dbraw/zinc/25/81/73/570258173.db2.gz OISQDDJLRREFTH-FPOVZHCZSA-N 1 0 388.895 1.997 40 0 GDABRO Cc1cccnc1C[NH+]1CCC2(CC1)C[C@@H](NS(=O)(=O)C1CC1)CCO2 ZINC000108530668 570313023 /nfs/dbraw/zinc/31/30/23/570313023.db2.gz GQTSZKWQNOYFDL-INIZCTEOSA-N 1 0 379.526 1.985 40 0 GDABRO COCCc1nccc(C[C@H]2[C@H]([NH2+]C3Cc4ccccc4C3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382172 570353513 /nfs/dbraw/zinc/35/35/13/570353513.db2.gz IQTJRKCPVHFSFA-GXRSIYKFSA-N 1 0 397.519 1.323 40 0 biogenic,in-vitro GDABRO COCCc1nccc(C[C@H]2[C@H]([NH2+]Cc3ccccc3F)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382331 570353564 /nfs/dbraw/zinc/35/35/64/570353564.db2.gz OJHURRWIPPBVAL-HNBVOPMISA-N 1 0 389.471 1.495 40 0 biogenic,in-vitro GDABRO Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000222570794 570415015 /nfs/dbraw/zinc/41/50/15/570415015.db2.gz WUCCOHHLNNQZLS-QGZVFWFLSA-N 1 0 381.542 1.854 40 0 GDABRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1N1C(=O)CCC1=O ZINC000223213095 570450240 /nfs/dbraw/zinc/45/02/40/570450240.db2.gz STDJHCDGRWMEFU-UHFFFAOYSA-N 1 0 395.481 1.113 40 0 GDABRO CC1CC[NH+](CCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)CC1 ZINC000030868370 570499877 /nfs/dbraw/zinc/49/98/77/570499877.db2.gz NQMVMNLIOJNROT-SFHVURJKSA-N 1 0 395.525 1.452 40 0 GDABRO Cn1c2ccc(S(=O)(=O)N3CC[C@@H]4[C@H]3CCCC[N@@H+]4C)cc2n(C)c1=O ZINC000019712457 570898615 /nfs/dbraw/zinc/89/86/15/570898615.db2.gz ZZHCDZMWFQMAFM-GDBMZVCRSA-N 1 0 378.498 1.124 40 0 GDABRO CC[NH+]1CCN(CCNC(=O)[C@@H]2[C@@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)CC1 ZINC000019528200 570928735 /nfs/dbraw/zinc/92/87/35/570928735.db2.gz LAYIBKVFJGFZCP-XKPYVIEYSA-N 1 0 397.519 1.800 40 0 GDABRO O=C(Cc1ccc(O)cc1)N1CCC2(CO[C@H](C[N@H+]3CCC[C@H]3CO)C2)CC1 ZINC000585103788 570929172 /nfs/dbraw/zinc/92/91/72/570929172.db2.gz JWGVXXMXXSHHKS-ICSRJNTNSA-N 1 0 388.508 1.789 40 0 GDABRO CC(=O)N1CCc2nc([C@H]3CCN(C(=O)C[NH+]4CCCCCC4)C3)ncc2C1 ZINC000019018685 570954786 /nfs/dbraw/zinc/95/47/86/570954786.db2.gz ZWBDJOVBRBXHDX-KRWDZBQOSA-N 1 0 385.512 1.573 40 0 GDABRO C[C@@H](Oc1ccccc1F)C(=O)N1CC[C@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019077584 570955282 /nfs/dbraw/zinc/95/52/82/570955282.db2.gz PIFYLJHVVXLFKF-KGLIPLIRSA-N 1 0 398.442 1.708 40 0 GDABRO CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)[C@H](C)[NH+]1CCCCC1)C2 ZINC000019079306 570955691 /nfs/dbraw/zinc/95/56/91/570955691.db2.gz IZEKVUOHARMYHE-KXBFYZLASA-N 1 0 385.512 1.919 40 0 GDABRO C[C@H](Oc1cccc(F)c1)C(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21 ZINC000019080304 570955699 /nfs/dbraw/zinc/95/56/99/570955699.db2.gz RFPUUERQIOZZQD-KBPBESRZSA-N 1 0 398.442 1.626 40 0 GDABRO O=C(COc1ccc(F)cc1)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21 ZINC000019346767 570978244 /nfs/dbraw/zinc/97/82/44/570978244.db2.gz ZRMISRSFKZDTBG-AWEZNQCLSA-N 1 0 383.427 1.843 40 0 GDABRO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2nc([C@@H]3CCN(C(C)=O)C3)ncc2C1 ZINC000019500956 570992437 /nfs/dbraw/zinc/99/24/37/570992437.db2.gz BCZVTPAGEGVMRN-MJGOQNOKSA-N 1 0 399.539 1.962 40 0 GDABRO CCCC(=O)N1CCc2nc([C@H]3CCC[N@H+](Cc4cnn(C)c4)C3)[nH]c(=O)c2C1 ZINC000019501601 570992875 /nfs/dbraw/zinc/99/28/75/570992875.db2.gz LXMQQPXEFRWURK-INIZCTEOSA-N 1 0 398.511 1.568 40 0 GDABRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc4n3CC[NH2+]CC4)C2)cc1F ZINC000019709204 571033546 /nfs/dbraw/zinc/03/35/46/571033546.db2.gz DRUMAYUVQFBFPU-CQSZACIVSA-N 1 0 393.488 1.440 40 0 GDABRO COc1cccc(S(=O)(=O)N2CCC(c3nnc4n3CC[NH2+]CC4)CC2)c1 ZINC000019709514 571033996 /nfs/dbraw/zinc/03/39/96/571033996.db2.gz NFLCRVXQUKZPEM-UHFFFAOYSA-N 1 0 391.497 1.001 40 0 GDABRO COc1cccc(OC)c1C(=O)N1CCC(c2nnc3n2CC[N@@H+](C)CC3)CC1 ZINC000019709433 571034271 /nfs/dbraw/zinc/03/42/71/571034271.db2.gz ODRPFVXULRVKMK-UHFFFAOYSA-N 1 0 399.495 1.803 40 0 GDABRO COc1ccc(CN(C)CC(=O)N2CCC[C@H]2c2nnc3n2CC[NH2+]CC3)cc1 ZINC000019710758 571034673 /nfs/dbraw/zinc/03/46/73/571034673.db2.gz XWQRLDGRCYSRLR-SFHVURJKSA-N 1 0 398.511 1.228 40 0 GDABRO CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](CC3CCOCC3)CC2)O1 ZINC000096036899 571096353 /nfs/dbraw/zinc/09/63/53/571096353.db2.gz BQQZIJFHIUTKKN-SFHVURJKSA-N 1 0 390.528 1.868 40 0 GDABRO CCN1CCn2c(-c3cnn(C)c3)cnc2C12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096037015 571096572 /nfs/dbraw/zinc/09/65/72/571096572.db2.gz LHCBOYNJUCUNEY-UHFFFAOYSA-N 1 0 394.527 1.844 40 0 GDABRO COCC(=O)N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC000096052909 571097679 /nfs/dbraw/zinc/09/76/79/571097679.db2.gz IZWWBHTZMWMKMK-QGZVFWFLSA-N 1 0 387.524 1.748 40 0 GDABRO Cc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000408708464 231100604 /nfs/dbraw/zinc/10/06/04/231100604.db2.gz IEZRUTYUTCVSNX-UHFFFAOYSA-N 1 0 396.491 1.931 40 0 GDABRO CCOc1cc(CNCCC[NH+](C)C)cc(Br)c1OCC(N)=O ZINC000008253718 530549012 /nfs/dbraw/zinc/54/90/12/530549012.db2.gz HRRZOVPRLZXKCN-UHFFFAOYSA-N 1 0 388.306 1.753 40 0 GDABRO CC(C)[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000001552231 530532254 /nfs/dbraw/zinc/53/22/54/530532254.db2.gz GLIRXHQYWRYQDV-UHFFFAOYSA-N 1 0 377.532 1.455 40 0 in-man GDABRO [NH3+][C@]1(CO)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218182885 531027809 /nfs/dbraw/zinc/02/78/09/531027809.db2.gz OROBLVCQQPGSEC-IXDOHACOSA-N 1 0 381.837 1.698 40 0 GDABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](S(=O)(=O)CC)[C@H]1c1ccc(Br)cc1 ZINC000252515830 531091077 /nfs/dbraw/zinc/09/10/77/531091077.db2.gz NXLHIPYJIKYSSQ-UMVBOHGHSA-N 1 0 390.299 1.858 40 0 GDABRO COc1ccc(N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000010111525 204330626 /nfs/dbraw/zinc/33/06/26/204330626.db2.gz UVUCBSYBNRIXQD-UHFFFAOYSA-N 1 0 391.493 1.568 40 0 GDABRO C[N@H+]1CCc2nnc([C@H]3CCCN3C(=O)COc3ccc(F)cc3F)n2CC1 ZINC000019706319 204671361 /nfs/dbraw/zinc/67/13/61/204671361.db2.gz LDRYJVUNGUNMTH-OAHLLOKOSA-N 1 0 391.422 1.787 40 0 GDABRO Cc1nc(N)ncc1C(=O)N1CCC([C@@H]2CCCC[N@H+]2CC(=O)N(C)C)CC1 ZINC000019746443 204680506 /nfs/dbraw/zinc/68/05/06/204680506.db2.gz IHMQGNGHICWNGQ-KRWDZBQOSA-N 1 0 388.516 1.162 40 0 GDABRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CO[C@H](CNC(=O)c3ccccc3)[C@H]2O)cc1 ZINC000077264329 205036180 /nfs/dbraw/zinc/03/61/80/205036180.db2.gz DETJXDNIJRGCHQ-AQNXPRMDSA-N 1 0 383.448 1.293 40 0 biogenic,in-vitro GDABRO CN(C)C(=O)[C@H]1C[N@H+](Cc2ccncc2)C[C@@]12CCc1ccccc1C(=O)N2 ZINC000072334355 205328196 /nfs/dbraw/zinc/32/81/96/205328196.db2.gz QACQXWJDRZOBRW-KNQAVFIVSA-N 1 0 378.476 1.717 40 0 GDABRO CC(=O)N[C@H]1Cc2ccc(S(=O)(=O)NCC[NH+]3CCC(C)CC3)cc2C1 ZINC000072345776 205329222 /nfs/dbraw/zinc/32/92/22/205329222.db2.gz DEWKNLGTFOFIKQ-SFHVURJKSA-N 1 0 379.526 1.300 40 0 GDABRO COc1ccccc1CCC(=O)N1CCc2nnc([C@H]3CCC[NH2+]C3)n2CC1 ZINC000072370881 205336149 /nfs/dbraw/zinc/33/61/49/205336149.db2.gz NBQQWAWQTLGIKH-KRWDZBQOSA-N 1 0 383.496 1.771 40 0 GDABRO COCc1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CC[N@@H+](C)CC4)C2)cc1 ZINC000072370926 205336638 /nfs/dbraw/zinc/33/66/38/205336638.db2.gz WCTNFONWMMZDJJ-GOSISDBHSA-N 1 0 383.496 1.932 40 0 GDABRO CC(=O)N1CCc2nc([C@H]3CCN(C(=O)C[N@H+]4CCCC[C@H]4C)C3)ncc2C1 ZINC000072397279 205344569 /nfs/dbraw/zinc/34/45/69/205344569.db2.gz RYKMJLKUDQPLIN-WBVHZDCISA-N 1 0 385.512 1.572 40 0 GDABRO CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[NH+]1CCCC1 ZINC000223099962 205992642 /nfs/dbraw/zinc/99/26/42/205992642.db2.gz OYBDHQKSYYLPOR-SFHVURJKSA-N 1 0 397.541 1.842 40 0 GDABRO CN(C)CC[N@H+](C)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)N(C)Cc2ccccc2)O1 ZINC000030878645 206081415 /nfs/dbraw/zinc/08/14/15/206081415.db2.gz YTKXGKIPUUVUOV-UFYCRDLUSA-N 1 0 377.529 1.437 40 0 biogenic,in-vitro GDABRO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCCC1)c1cccnc1 ZINC000257276026 206171385 /nfs/dbraw/zinc/17/13/85/206171385.db2.gz NSBJKIYGDWKLFC-ZRNYENFQSA-N 1 0 385.439 1.996 40 0 GDABRO Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+]C3)nc(N2CCOCC2)n1 ZINC000257307279 206176143 /nfs/dbraw/zinc/17/61/43/206176143.db2.gz SXZUBZBHIINYMB-CQSHLORDSA-N 1 0 385.512 1.757 40 0 GDABRO COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccccn3)[C@H]([NH+]3CCCC3)[C@H]2O)c1 ZINC000257225095 206162912 /nfs/dbraw/zinc/16/29/12/206162912.db2.gz FEUGNQUFEFHLPC-CGXNFDGLSA-N 1 0 397.475 1.865 40 0 GDABRO CC(=O)N[C@@H]1CN(C(C)=O)C2(C1)CC[NH+](Cc1ccc3nccnc3c1)CC2 ZINC000257238961 206165083 /nfs/dbraw/zinc/16/50/83/206165083.db2.gz HNGOJCLJOUFSAD-SFHVURJKSA-N 1 0 381.480 1.721 40 0 GDABRO CN(C)c1cc(N2CCC[C@](C)(C(=O)N(C)CC3CC[NH+](C)CC3)C2)ncn1 ZINC000257247623 206166076 /nfs/dbraw/zinc/16/60/76/206166076.db2.gz IZUZNZOIHMPMAN-NRFANRHFSA-N 1 0 388.560 1.949 40 0 GDABRO COCCN1C(=O)CC[C@@H](C(=O)NCC[NH+](C)C)[C@@H]1c1cccc(OC)c1 ZINC000257257993 206167273 /nfs/dbraw/zinc/16/72/73/206167273.db2.gz KRYRAGOYVSAKQE-MJGOQNOKSA-N 1 0 377.485 1.299 40 0 GDABRO CN1Cc2nnc(C(=O)NC3CCC3)n2C[C@]12CC[N@H+](Cc1ccsc1)C2 ZINC000306126395 206196696 /nfs/dbraw/zinc/19/66/96/206196696.db2.gz DUMCFBBHJSKWDF-LJQANCHMSA-N 1 0 386.525 1.712 40 0 GDABRO C[N@@H+]1C[C@H](C(=O)NCc2ccco2)OC2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000306127681 206200088 /nfs/dbraw/zinc/20/00/88/206200088.db2.gz GERYWOJUGUNKGG-QGZVFWFLSA-N 1 0 387.436 1.494 40 0 GDABRO COCCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccccn2)CC1 ZINC000306135256 206202386 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O=C(CCc1ccccc1)N1CC[C@](O)(C[NH2+]CCc2ccccc2)[C@@H](O)C1 ZINC000585285779 570255075 /nfs/dbraw/zinc/25/50/75/570255075.db2.gz TWVJQBAZXJOJRP-GMAHTHKFSA-N 1 0 382.504 1.776 40 0 GDABRO COc1cccc(C[NH2+]C[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)c1 ZINC000585286173 570255687 /nfs/dbraw/zinc/25/56/87/570255687.db2.gz WMSRQRNFDFMRFF-UNMCSNQZSA-N 1 0 384.476 1.352 40 0 GDABRO O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCc2ccccc2)C1 ZINC000585290729 570259365 /nfs/dbraw/zinc/25/93/65/570259365.db2.gz VYEYQGPUTCOQMQ-CTNGQTDRSA-N 1 0 388.895 1.649 40 0 GDABRO C[NH+](C)CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000020459562 570260352 /nfs/dbraw/zinc/26/03/52/570260352.db2.gz OEXVVEUYNUNCQA-UHFFFAOYSA-N 1 0 385.505 1.435 40 0 GDABRO O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCc2cccc(F)c2)C1 ZINC000585291991 570261159 /nfs/dbraw/zinc/26/11/59/570261159.db2.gz WKBINXSTIOKHQR-IRLDBZIGSA-N 1 0 386.467 1.525 40 0 GDABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCC[NH2+]C[C@@H](C)O)o2)c1 ZINC000038246085 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CC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C(=O)[C@@H](C)[NH+]2CCCCC2)C3)C1 ZINC000019079445 570955584 /nfs/dbraw/zinc/95/55/84/570955584.db2.gz GWVNPHOQNRQZNA-WBVHZDCISA-N 1 0 385.512 1.572 40 0 GDABRO Cc1ccccc1OCCC(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21 ZINC000019237397 570966750 /nfs/dbraw/zinc/96/67/50/570966750.db2.gz JJDHGYYIPAFMLG-MRXNPFEDSA-N 1 0 394.479 1.797 40 0 GDABRO [NH3+]CCn1nc([C@@H]2CCN(C(=O)[C@@H]3OCCc4ccccc43)C2)c2nccnc21 ZINC000019375435 570981823 /nfs/dbraw/zinc/98/18/23/570981823.db2.gz KRVHRECAGNVMNX-DNVCBOLYSA-N 1 0 392.463 1.415 40 0 GDABRO CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC000019496872 570990089 /nfs/dbraw/zinc/99/00/89/570990089.db2.gz REFHQUUEVHXTHE-LJQANCHMSA-N 1 0 385.512 1.777 40 0 GDABRO COc1ccc(CC(=O)NCCn2nc([C@H]3CC[NH2+]C3)c3cccnc32)cc1 ZINC000019554406 571002568 /nfs/dbraw/zinc/00/25/68/571002568.db2.gz COOJNCXQHGWAQL-INIZCTEOSA-N 1 0 379.464 1.876 40 0 GDABRO CN1Cc2ccccc2C[C@H]1C(=O)N1CCc2nc(C3CC[NH2+]CC3)ncc2C1 ZINC000019590838 571018623 /nfs/dbraw/zinc/01/86/23/571018623.db2.gz YMGYIWRGFMUSEY-NRFANRHFSA-N 1 0 391.519 1.885 40 0 GDABRO O=C(Cn1ncc2ccccc2c1=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000019656485 571023953 /nfs/dbraw/zinc/02/39/53/571023953.db2.gz DRAOTORBURMVCR-UHFFFAOYSA-N 1 0 384.480 1.357 40 0 GDABRO CC(=O)N1CCN(c2cc(C)[nH+]c([C@H]3CCCN3CC(=O)N3CCC3)c2)CC1 ZINC000019698242 571030626 /nfs/dbraw/zinc/03/06/26/571030626.db2.gz SPPITPFSLDIJSM-HXUWFJFHSA-N 1 0 385.512 1.428 40 0 GDABRO COc1ccc(S(=O)(=O)N2CCn3c(nnc3[C@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000019711099 571035266 /nfs/dbraw/zinc/03/52/66/571035266.db2.gz JWNZXYBJEGTGCH-AWEZNQCLSA-N 1 0 391.497 1.300 40 0 GDABRO C[C@H](C(=O)NC(C)(C)C[NH+]1CCCCC1)N1C(=O)c2ccccc2S1(=O)=O ZINC000019717703 571040643 /nfs/dbraw/zinc/04/06/43/571040643.db2.gz NLDRGJUDDRZCAN-CQSZACIVSA-N 1 0 393.509 1.600 40 0 GDABRO CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3cccnc3)CC2)O1 ZINC000096036781 571096406 /nfs/dbraw/zinc/09/64/06/571096406.db2.gz HGSFZNZALQNDDA-SFHVURJKSA-N 1 0 383.496 1.940 40 0 GDABRO Cn1c2cc(NC(=O)c3ccccc3)c(N3CC[NH+](C)CC3)cc2n(C)c1=O ZINC000408531893 231052756 /nfs/dbraw/zinc/05/27/56/231052756.db2.gz OZXANXHQXYMEBI-UHFFFAOYSA-N 1 0 379.464 1.881 40 0 GDABRO Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCC[NH+](C)C)c1 ZINC000408710266 231103051 /nfs/dbraw/zinc/10/30/51/231103051.db2.gz VJPFKKCXJAJSBU-UHFFFAOYSA-N 1 0 396.491 1.931 40 0 GDABRO C[NH+](C)CCCNC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000013613235 530559136 /nfs/dbraw/zinc/55/91/36/530559136.db2.gz FDQLPLDPOMDICF-UHFFFAOYSA-N 1 0 382.313 1.827 40 0 GDABRO N[C@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218180564 531027886 /nfs/dbraw/zinc/02/78/86/531027886.db2.gz GTACBAKTANSLKN-YESZJQIVSA-N 1 0 380.853 1.665 40 0 GDABRO N[C@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000242495926 531055642 /nfs/dbraw/zinc/05/56/42/531055642.db2.gz GTACBAKTANSLKN-ZACQAIPSSA-N 1 0 380.853 1.665 40 0 GDABRO C[C@@]1(N(CC[NH3+])S(=O)(=O)c2ccc3ccccc3c2)CCS(=O)(=O)C1 ZINC000575423794 532013988 /nfs/dbraw/zinc/01/39/88/532013988.db2.gz RGIGWPVXBXZMGA-QGZVFWFLSA-N 1 0 382.507 1.366 40 0 GDABRO Cc1cc(C)c2cc(C[NH2+]CCCN3CCOCC3)c3nn(C)c(=O)n3c2c1 ZINC000012325216 204396897 /nfs/dbraw/zinc/39/68/97/204396897.db2.gz FMWXBJOGPPXGLC-UHFFFAOYSA-N 1 0 383.496 1.615 40 0 GDABRO CCOCc1ccc(C(=O)NCCn2nc([C@H]3CC[NH2+]C3)c3nccnc32)cc1 ZINC000019531311 204653350 /nfs/dbraw/zinc/65/33/50/204653350.db2.gz OSQGWGNVHGVBRK-KRWDZBQOSA-N 1 0 394.479 1.870 40 0 GDABRO COc1cccc(N(C)CCC(=O)N2CCC[C@H]2c2nnc3n2CC[N@@H+](C)C3)c1 ZINC000072373920 205336945 /nfs/dbraw/zinc/33/69/45/205336945.db2.gz DKZAZIDZPOBWOU-SFHVURJKSA-N 1 0 398.511 1.922 40 0 GDABRO COc1c(C)cccc1C(=O)NCCn1nc([C@@H]2CC[N@H+](C)C2)c2nccnc21 ZINC000072391674 205341447 /nfs/dbraw/zinc/34/14/47/205341447.db2.gz AEKZMDWQOACGAD-OAHLLOKOSA-N 1 0 394.479 1.992 40 0 GDABRO COC1CCC(C(=O)NCCn2nc([C@H]3CC[N@H+](C)C3)c3nccnc32)CC1 ZINC000072391660 205342114 /nfs/dbraw/zinc/34/21/14/205342114.db2.gz 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/nfs/dbraw/zinc/49/83/72/204498372.db2.gz WYZRKNORVTUSOF-UHFFFAOYSA-N 1 0 397.541 1.941 40 0 GDABRO C[C@H](Oc1ccc(F)cc1)C(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21 ZINC000019080286 204625033 /nfs/dbraw/zinc/62/50/33/204625033.db2.gz LYMPZBNZUJAQME-UONOGXRCSA-N 1 0 398.442 1.626 40 0 GDABRO Cc1cccc(C)c1OCC(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21 ZINC000019236074 204633100 /nfs/dbraw/zinc/63/31/00/204633100.db2.gz ZUNUHDSJMZCLOI-INIZCTEOSA-N 1 0 394.479 1.715 40 0 GDABRO O=C1c2ccccc2C(=O)N1CCC[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000038896804 205040422 /nfs/dbraw/zinc/04/04/22/205040422.db2.gz UTFSALSHCXWUKG-UHFFFAOYSA-N 1 0 391.427 1.949 40 0 GDABRO CC[N@@H+]1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@@H]32)[C@@H]14 ZINC000070686826 205024462 /nfs/dbraw/zinc/02/44/62/205024462.db2.gz PEUHZLSMLRCFJM-VHNKBEDGSA-N 1 0 391.552 1.905 40 0 biogenic GDABRO [NH3+]CCN1C(=O)CO[C@H](c2ccc(NC(=O)Cc3ccccc3)cc2)[C@H]1CO ZINC000072321373 205030908 /nfs/dbraw/zinc/03/09/08/205030908.db2.gz NDRSPSGEMXDTKV-WIYYLYMNSA-N 1 0 383.448 1.087 40 0 biogenic,in-vitro GDABRO c1cc(C[N@H+]2CCOC[C@@]3(CC[C@H](CN4CCOCC4)O3)C2)cc2c1OCC2 ZINC000248341699 206138338 /nfs/dbraw/zinc/13/83/38/206138338.db2.gz WXFQYYSCQLMLMQ-IFMALSPDSA-N 1 0 388.508 1.704 40 0 GDABRO CCN1CCN(C(=O)C[NH2+]C)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257204007 206159272 /nfs/dbraw/zinc/15/92/72/206159272.db2.gz ASPVUMJMXWRYSV-LJQANCHMSA-N 1 0 380.492 1.817 40 0 GDABRO [NH3+]Cc1ccc(C(=O)NC[C@]2(O)CCCN(c3ccnc4cccnc43)C2)cc1 ZINC000257277534 206171838 /nfs/dbraw/zinc/17/18/38/206171838.db2.gz NYHPURZXRVTPQV-JOCHJYFZSA-N 1 0 391.475 1.850 40 0 GDABRO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@@H+]2C2CCN(S(C)(=O)=O)CC2)n1 ZINC000257284953 206173740 /nfs/dbraw/zinc/17/37/40/206173740.db2.gz PFAHODATJWMVFE-KRWDZBQOSA-N 1 0 390.513 1.736 40 0 GDABRO CC(=O)N[C@]12CN(C(=O)Cn3cccn3)[C@H](c3ccccc3)[C@H]1CC[N@@H+](C)C2 ZINC000257300145 206174367 /nfs/dbraw/zinc/17/43/67/206174367.db2.gz 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CC(=O)Nc1ccc(C[NH2+][C@@H]2CO[C@H](CNC(=O)CC(C)(C)C)[C@H]2O)cc1 ZINC000077263887 560046482 /nfs/dbraw/zinc/04/64/82/560046482.db2.gz NDWFDIPYMBKMDB-LMMKCTJWSA-N 1 0 377.485 1.415 40 0 biogenic,in-vitro GDABRO CN1CCN(C[C@@]2(O)CC[N@H+](Cc3ccc(OCCn4cccn4)cc3)C2)CC1 ZINC000585270110 570238877 /nfs/dbraw/zinc/23/88/77/570238877.db2.gz FIBHLLRZZHTPGX-QFIPXVFZSA-N 1 0 399.539 1.146 40 0 GDABRO O=C(Cc1ccccc1)N1CC[C@](O)(C[NH2+]Cc2cccc(Cl)c2)[C@@H](O)C1 ZINC000585283686 570251923 /nfs/dbraw/zinc/25/19/23/570251923.db2.gz GQIXOAMILXAOAA-FPOVZHCZSA-N 1 0 388.895 1.997 40 0 GDABRO Cc1cccc(C[NH2+]C[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)c1C ZINC000585286201 570255680 /nfs/dbraw/zinc/25/56/80/570255680.db2.gz XKSKKSAHWYDKOP-GMAHTHKFSA-N 1 0 382.504 1.960 40 0 GDABRO COc1ccc(NC(=O)[C@H]2C[C@@H]([C@@H](C)O)[NH2+][C@]23C(=O)Nc2ccccc23)cc1 ZINC000035877652 570558794 /nfs/dbraw/zinc/55/87/94/570558794.db2.gz JXRAZCDBRRPSJV-CGJJIIMXSA-N 1 0 381.432 1.840 40 0 GDABRO CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]([NH3+])[C@H]1NC(=O)c1ccccc1 ZINC000071782982 570575928 /nfs/dbraw/zinc/57/59/28/570575928.db2.gz QJWLTVVWSLQPON-WDPSMDGFSA-N 1 0 384.432 1.598 40 0 GDABRO CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]([NH3+])[C@H]1NC(=O)c1ccccc1 ZINC000071782983 570576105 /nfs/dbraw/zinc/57/61/05/570576105.db2.gz QJWLTVVWSLQPON-TUHKJITRSA-N 1 0 384.432 1.598 40 0 GDABRO CS(=O)(=O)n1cc2c(n1)CN([C@@H]1CO[C@@H](c3cc(F)ccc3F)[C@@H]([NH3+])C1)C2 ZINC000207792763 570695517 /nfs/dbraw/zinc/69/55/17/570695517.db2.gz MKMPWKUAHLTIBJ-NUTKFTJISA-N 1 0 398.435 1.142 40 0 GDABRO C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3C(=O)Cn1cccnc1=O ZINC000257227349 570764258 /nfs/dbraw/zinc/76/42/58/570764258.db2.gz FOWPASFEPAVRRY-MRXSCTINSA-N 1 0 392.503 1.986 40 0 GDABRO O=C(N[C@@H]1CC[C@@H](Oc2cccnc2)[C@H](O)[C@H]1[NH+]1CCCCC1)c1ncc[nH]1 ZINC000257228443 570764617 /nfs/dbraw/zinc/76/46/17/570764617.db2.gz FTWCOZPXTYFHLQ-BDXSIMOUSA-N 1 0 385.468 1.360 40 0 GDABRO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCCC1)C1CCOCC1 ZINC000257240755 570767822 /nfs/dbraw/zinc/76/78/22/570767822.db2.gz HVAZCIOUOWUXNE-ZRNYENFQSA-N 1 0 392.471 1.714 40 0 GDABRO CCCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccccn2)CC1 ZINC000585106319 570936491 /nfs/dbraw/zinc/93/64/91/570936491.db2.gz SXEPQBMELCYYKH-CVEARBPZSA-N 1 0 392.525 1.083 40 0 GDABRO COc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1I ZINC000010111464 530552112 /nfs/dbraw/zinc/55/21/12/530552112.db2.gz LQOXSKJCKMWSPL-UHFFFAOYSA-N 1 0 398.266 1.530 40 0 GDABRO Cc1ccc(Cl)cc1N(CCCC(=O)NCC[NH+](C)C)S(C)(=O)=O ZINC000013646300 530559220 /nfs/dbraw/zinc/55/92/20/530559220.db2.gz HPNKIFJWGFRRMO-UHFFFAOYSA-N 1 0 375.922 1.872 40 0 GDABRO C[NH+](C)CCCNc1nc(NCCc2ccncc2)cc(-c2cccnc2)n1 ZINC000329040811 206243247 /nfs/dbraw/zinc/24/32/47/206243247.db2.gz SGAXZXSYRXSKND-UHFFFAOYSA-N 1 0 377.496 1.796 40 0 GDABRO CC(=O)N1CC[C@H](c2nn(CCNC(=O)CC[NH+]3CCCC3)c3ncccc23)C1 ZINC000019016528 207098916 /nfs/dbraw/zinc/09/89/16/207098916.db2.gz CDVIRFBSBJAIIE-KRWDZBQOSA-N 1 0 398.511 1.369 40 0 GDABRO CC(C)(C)N1C[C@H](C(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)CC1=O ZINC000019082835 207102353 /nfs/dbraw/zinc/10/23/53/207102353.db2.gz TWDHHDJXAFPPRT-HUUCEWRRSA-N 1 0 385.512 1.475 40 0 GDABRO O=S(=O)(Cc1ccccc1F)N1CCc2nc(C3CC[NH2+]CC3)ncc2C1 ZINC000019349623 207119016 /nfs/dbraw/zinc/11/90/16/207119016.db2.gz RAGQHCJWZGVNPY-UHFFFAOYSA-N 1 0 390.484 1.971 40 0 GDABRO O=S(=O)(Cc1ccccc1)NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21 ZINC000019372745 207119632 /nfs/dbraw/zinc/11/96/32/207119632.db2.gz JGYIVQAPYMUDRI-HNNXBMFYSA-N 1 0 386.481 1.023 40 0 GDABRO C[N@@H+]1CCc2nc(C3CCN(C(=O)C[C@@H]4CC(C)(C)OC4=O)CC3)ncc2C1 ZINC000019460902 207124165 /nfs/dbraw/zinc/12/41/65/207124165.db2.gz LDARXASYRHJCFZ-OAHLLOKOSA-N 1 0 386.496 1.902 40 0 GDABRO C[C@H]1Cc2cc(C(=O)N3CC[C@@H](c4nn(CC[NH3+])c5nccnc45)C3)ccc2O1 ZINC000019497892 207125437 /nfs/dbraw/zinc/12/54/37/207125437.db2.gz AMBQADZMYVFCLC-DZGCQCFKSA-N 1 0 392.463 1.738 40 0 GDABRO C[NH+](C)CCn1nc([C@@H]2CCN(C(=O)Cc3ccccn3)C2)c2cccnc21 ZINC000019583238 207140062 /nfs/dbraw/zinc/14/00/62/207140062.db2.gz IBFFMPAXPYEFGE-MRXNPFEDSA-N 1 0 378.480 1.947 40 0 GDABRO COc1ccc(CCC(=O)NCCn2nc([C@@H]3CC[NH2+]C3)c3nccnc32)cc1 ZINC000019554614 207132208 /nfs/dbraw/zinc/13/22/08/207132208.db2.gz JCPALIRBNFKHPQ-MRXNPFEDSA-N 1 0 394.479 1.661 40 0 GDABRO CC(C)[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)C3CCC3)C1)C2=O ZINC000019699921 207150104 /nfs/dbraw/zinc/15/01/04/207150104.db2.gz INWYSIWROAQPAJ-INIZCTEOSA-N 1 0 376.501 1.572 40 0 GDABRO CN1C(=O)NC2(CCN(C(=O)C[NH+]3CCC(c4ccccc4)CC3)CC2)C1=O ZINC000019661242 207147096 /nfs/dbraw/zinc/14/70/96/207147096.db2.gz CSZVCXWNIFJWJV-UHFFFAOYSA-N 1 0 384.480 1.409 40 0 GDABRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(N3CCCC3)c3nonc32)CC1=O ZINC000019717618 207154274 /nfs/dbraw/zinc/15/42/74/207154274.db2.gz NOWRFLRLAMNYHW-ZDUSSCGKSA-N 1 0 386.456 1.172 40 0 GDABRO COc1ccc(NC(=O)C[C@H]2N=C(NC(=[NH2+])Nc3ccccc3)NC2=O)cc1 ZINC000020635227 207208536 /nfs/dbraw/zinc/20/85/36/207208536.db2.gz PHPBZBSGOFSYKH-OAHLLOKOSA-N 1 0 380.408 1.515 40 0 GDABRO O=C(NCCC[NH+]1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000044902160 207644258 /nfs/dbraw/zinc/64/42/58/207644258.db2.gz PESYLEFRNKCUKW-OAHLLOKOSA-N 1 0 385.555 1.751 40 0 GDABRO COc1ccccc1CCC(=O)N1CCc2nnc([C@@H]3CCC[NH2+]C3)n2CC1 ZINC000072370880 208005477 /nfs/dbraw/zinc/00/54/77/208005477.db2.gz NBQQWAWQTLGIKH-QGZVFWFLSA-N 1 0 383.496 1.771 40 0 GDABRO COCc1ccc(C(=O)N2CCC[C@H](c3nnc4n3CC[N@@H+](C)CC4)C2)cc1 ZINC000072370927 208006975 /nfs/dbraw/zinc/00/69/75/208006975.db2.gz WCTNFONWMMZDJJ-SFHVURJKSA-N 1 0 383.496 1.932 40 0 GDABRO O=C([C@H]1Cn2ccnc2C2(CC[NH+](CC3CCOCC3)CC2)O1)N1CCCC1 ZINC000096036852 208255990 /nfs/dbraw/zinc/25/59/90/208255990.db2.gz GUQQLTHKBCDCRZ-GOSISDBHSA-N 1 0 388.512 1.622 40 0 GDABRO O=C(c1cnn2cccnc12)N1CCC[C@]2(C[C@@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096075589 208258535 /nfs/dbraw/zinc/25/85/35/208258535.db2.gz 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ZINC000072391600 222248458 /nfs/dbraw/zinc/24/84/58/222248458.db2.gz PMIKVNFTAQUVLJ-HNNXBMFYSA-N 1 0 380.452 1.684 40 0 GDABRO C[NH+]1CCC(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 ZINC000113953243 536343041 /nfs/dbraw/zinc/34/30/41/536343041.db2.gz IAMVCGDNPZPPFO-HNNXBMFYSA-N 1 0 387.889 1.077 40 0 GDABRO CCOCCOc1ccc(C[NH2+]C[C@]2(O)CCN(c3cc(C)ncn3)C2)cc1 ZINC000585269992 570238946 /nfs/dbraw/zinc/23/89/46/570238946.db2.gz ADJXLEZVYNOGHE-OAQYLSRUSA-N 1 0 386.496 1.931 40 0 GDABRO Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@@](O)(CN3CCN(C)CC3)C2)cc1 ZINC000585270506 570239302 /nfs/dbraw/zinc/23/93/02/570239302.db2.gz XZTWBYBLJQUDFT-JOCHJYFZSA-N 1 0 399.539 1.183 40 0 GDABRO COCC(=O)N1CC[N@@H+](C2CCC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585281988 570249766 /nfs/dbraw/zinc/24/97/66/570249766.db2.gz DVCLNNCMYAFEFB-LJQANCHMSA-N 1 0 384.423 1.418 40 0 GDABRO COCC(=O)N1CC[N@@H+](C2CCCC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585284285 570253438 /nfs/dbraw/zinc/25/34/38/570253438.db2.gz WOOYHOMWZWSVOK-HXUWFJFHSA-N 1 0 398.450 1.808 40 0 GDABRO Cc1ccc(C[NH2+]C[C@@]2(O)CN(S(=O)(=O)c3ccccc3)CC[C@@H]2O)cc1 ZINC000585284298 570253493 /nfs/dbraw/zinc/25/34/93/570253493.db2.gz JNMWHDROYCUDEJ-VQTJNVASSA-N 1 0 390.505 1.271 40 0 GDABRO CC(=O)N1CC[N@@H+](C2CCOCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585284714 570253933 /nfs/dbraw/zinc/25/39/33/570253933.db2.gz ZEAGSFXYRSJJNO-NRFANRHFSA-N 1 0 376.497 1.756 40 0 GDABRO COc1cccc(CC[NH2+]C[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)c1 ZINC000585285609 570255352 /nfs/dbraw/zinc/25/53/52/570255352.db2.gz RAGCZAMKYIRXPO-GMAHTHKFSA-N 1 0 398.503 1.394 40 0 GDABRO Cn1cnc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccco4)[C@H]3C2)c1 ZINC000107746073 570310775 /nfs/dbraw/zinc/31/07/75/570310775.db2.gz PRSAGFLWOVQIAT-BHYGNILZSA-N 1 0 378.498 1.934 40 0 GDABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]C2CCOCC2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 ZINC000604382640 570353815 /nfs/dbraw/zinc/35/38/15/570353815.db2.gz WNHRDEKOBXOCBU-XRXFAXGQSA-N 1 0 383.492 1.813 40 0 biogenic,in-vitro GDABRO CCOc1ccc(N([C@@H](CC)C(=O)NC2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000220681355 570390241 /nfs/dbraw/zinc/39/02/41/570390241.db2.gz LSUUBNCADGMFDI-SFHVURJKSA-N 1 0 397.541 1.840 40 0 GDABRO CS(=O)(=O)N(CCCC(=O)NCCC[NH+]1CCCC1)c1ccccc1F ZINC000223076324 570441722 /nfs/dbraw/zinc/44/17/22/570441722.db2.gz YCIHHTGFFRSWMF-UHFFFAOYSA-N 1 0 385.505 1.974 40 0 GDABRO CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CN2CC[NH+](CC)CC2)cc1 ZINC000035311569 570466651 /nfs/dbraw/zinc/46/66/51/570466651.db2.gz XEDZGRSWGHBUPD-HNNXBMFYSA-N 1 0 382.530 1.339 40 0 GDABRO CNc1cc(N2CCC[C@@](O)(C[NH2+]Cc3ccc(OCCF)cc3)C2)ncn1 ZINC000257245425 570488009 /nfs/dbraw/zinc/48/80/09/570488009.db2.gz IPKNMBZETJFHDB-HXUWFJFHSA-N 1 0 389.475 1.988 40 0 GDABRO COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000224283885 570507425 /nfs/dbraw/zinc/50/74/25/570507425.db2.gz CIRPEXGQYBUTFH-UHFFFAOYSA-N 1 0 391.493 1.812 40 0 GDABRO Cc1ccc2[nH]c(=O)c(CN(CCO)C(=S)NCCC[NH+](C)C)cc2c1 ZINC000004131227 570617531 /nfs/dbraw/zinc/61/75/31/570617531.db2.gz PNEKOFYTTZLLIV-UHFFFAOYSA-N 1 0 376.526 1.457 40 0 GDABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000013676201 570772281 /nfs/dbraw/zinc/77/22/81/570772281.db2.gz KHXLGJMPMTWJFV-UHFFFAOYSA-N 1 0 385.505 1.974 40 0 GDABRO C[NH+](C)CCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000010111348 570805954 /nfs/dbraw/zinc/80/59/54/570805954.db2.gz PFYUHOKHDWRCFA-UHFFFAOYSA-N 1 0 375.494 1.950 40 0 GDABRO C[NH+](C)CCC(=O)N1Cc2cncn2[C@H](C(=O)NCCc2cccs2)C1 ZINC000585096100 570922566 /nfs/dbraw/zinc/92/25/66/570922566.db2.gz RJLJISNGJYIWBU-INIZCTEOSA-N 1 0 375.498 1.139 40 0 GDABRO CC[N@@H+]1C[C@@H](COCc2ccccn2)[C@]2(CCN(C(=O)c3ncn(C)n3)C2)C1 ZINC000585102850 570931026 /nfs/dbraw/zinc/93/10/26/570931026.db2.gz KONWVRUWBPRBLI-OXJNMPFZSA-N 1 0 384.484 1.211 40 0 GDABRO Cc1nc(C(=O)N2CCC3(CO[C@H](C[N@@H+](C)[C@H]4CC[C@H](O)CC4)C3)CC2)c[nH]1 ZINC000585104478 570933093 /nfs/dbraw/zinc/93/30/93/570933093.db2.gz PATQAZVPOJHOTP-BZSNNMDCSA-N 1 0 390.528 1.965 40 0 GDABRO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2c(C)noc2C)CC1 ZINC000585106108 570935810 /nfs/dbraw/zinc/93/58/10/570935810.db2.gz MTTUZDDEMOBVCY-XKQJLSEDSA-N 1 0 388.512 1.990 40 0 GDABRO CCCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2csc(C)n2)CC1 ZINC000585106350 570936876 /nfs/dbraw/zinc/93/68/76/570936876.db2.gz ZMCWEVXECMESLY-CABCVRRESA-N 1 0 376.526 1.904 40 0 GDABRO CN(CCc1ccccc1)[C@H]1[C@@H](C[NH2+]Cc2ccc(F)cc2)O[C@@H](CO)[C@H]1O ZINC000020465827 575368393 /nfs/dbraw/zinc/36/83/93/575368393.db2.gz MXSATZMOVHAEIK-CLAROIROSA-N 1 0 388.483 1.579 40 0 biogenic,in-vitro GDABRO O=C([C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1)N1CCOCC1 ZINC000008298086 291112284 /nfs/dbraw/zinc/11/22/84/291112284.db2.gz NJHMEQHFXBUEFP-OTWHNJEPSA-N 1 0 381.480 1.514 40 0 biogenic,in-vitro GDABRO COc1cccc(C[N@@H+]2CC[C@@H](c3nn(CCNC(C)=O)c4nccnc34)C2)c1 ZINC000019021574 207101007 /nfs/dbraw/zinc/10/10/07/207101007.db2.gz KHHOOSGLXZOGKO-QGZVFWFLSA-N 1 0 394.479 1.961 40 0 GDABRO O=C(Cn1cnc2ccccc21)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019376677 207120500 /nfs/dbraw/zinc/12/05/00/207120500.db2.gz NDNIBMFDERVNSW-HNNXBMFYSA-N 1 0 376.464 1.878 40 0 GDABRO C[C@H](C[NH+]1CCOCC1)C(=O)NCCn1ncc(-c2ccncc2)c1C1CC1 ZINC000019456310 207123964 /nfs/dbraw/zinc/12/39/64/207123964.db2.gz FPFVUMBZAAVCNC-MRXNPFEDSA-N 1 0 383.496 1.907 40 0 GDABRO CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)C[N@H+]1CCCC[C@@H]1C)C2 ZINC000019496342 207124879 /nfs/dbraw/zinc/12/48/79/207124879.db2.gz PXAWQYXYBOYCNT-KXBFYZLASA-N 1 0 385.512 1.919 40 0 GDABRO CN(C)c1ncc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3CC2)cn1 ZINC000019585554 207139985 /nfs/dbraw/zinc/13/99/85/207139985.db2.gz UGEFYYXYZNNLHW-UHFFFAOYSA-N 1 0 377.452 1.289 40 0 GDABRO C[NH+]1CCC(c2ncc3c(n2)CCN(C(=O)COC[C@@H]2CCCCO2)C3)CC1 ZINC000019588285 207140375 /nfs/dbraw/zinc/14/03/75/207140375.db2.gz QTBRRZTYRQOXPN-SFHVURJKSA-N 1 0 388.512 1.756 40 0 GDABRO O=C([C@H]1CCC[N@H+](Cc2ccnc(N3CCOCC3)n2)C1)N1CCCCCC1 ZINC000019657863 207146129 /nfs/dbraw/zinc/14/61/29/207146129.db2.gz WYMFKEKGJIWBRJ-SFHVURJKSA-N 1 0 387.528 1.928 40 0 GDABRO Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2nnc3n2CC[N@@H+](C)CC3)ccc1F ZINC000019710641 207152552 /nfs/dbraw/zinc/15/25/52/207152552.db2.gz CJDZEPUMTZJJJC-MRXNPFEDSA-N 1 0 393.488 1.739 40 0 GDABRO CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)C[NH+](C)C)nc(N(C)C)c2C1 ZINC000019711575 207152851 /nfs/dbraw/zinc/15/28/51/207152851.db2.gz JJECZKCMOGFWHR-KRWDZBQOSA-N 1 0 388.516 1.062 40 0 GDABRO CCN(CC)C(=O)NCCCN1CC[NH+](CCCNC(=O)N(CC)CC)CC1 ZINC000022585404 207256732 /nfs/dbraw/zinc/25/67/32/207256732.db2.gz JSLYDZJWSFNANT-UHFFFAOYSA-N 1 0 398.596 1.487 40 0 GDABRO COc1ccc(CN(C)CC(=O)N2CCn3c(nnc3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000072374056 208008703 /nfs/dbraw/zinc/00/87/03/208008703.db2.gz FSSICUZIPQWJOJ-SFHVURJKSA-N 1 0 398.511 1.576 40 0 GDABRO COCC[N@@H+]1CC2(CCN(C(=O)c3ccccc3C)CC2)[C@@]2(CCNC2=O)C1 ZINC000096144166 208271958 /nfs/dbraw/zinc/27/19/58/208271958.db2.gz YXSMWDDVZTZPGF-QFIPXVFZSA-N 1 0 385.508 1.686 40 0 GDABRO C[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1ccnnc1)CC3 ZINC000096036309 208254211 /nfs/dbraw/zinc/25/42/11/208254211.db2.gz PBSCJAPDBMDPEQ-PGRDOPGGSA-N 1 0 397.523 1.663 40 0 GDABRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(S(C)(=O)=O)CC2)c2ccccc21 ZINC000096052911 208254839 /nfs/dbraw/zinc/25/48/39/208254839.db2.gz LQXRGBWPJJFSRW-MRXNPFEDSA-N 1 0 393.553 1.535 40 0 GDABRO O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](CC1CC1)CCC2 ZINC000096056179 208258932 /nfs/dbraw/zinc/25/89/32/208258932.db2.gz CUXBJSLLVHBRDJ-RXVVDRJESA-N 1 0 385.512 1.264 40 0 GDABRO Cc1ccsc1C[N@@H+]1CC[C@@]2(C1)Cn1c(nn(CC3CC3)c(=O)c1=O)CO2 ZINC000306135178 209104407 /nfs/dbraw/zinc/10/44/07/209104407.db2.gz OKGFRWJWNOPJTG-LJQANCHMSA-N 1 0 388.493 1.360 40 0 GDABRO COCCNC(=S)N(CC[NH+](C)C)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000004133593 208536904 /nfs/dbraw/zinc/53/69/04/208536904.db2.gz SHKPFZORKJXZPC-UHFFFAOYSA-N 1 0 392.525 1.421 40 0 GDABRO CC(C)Cn1nc2n(c(=O)c1=O)C[C@@]1(CC[N@H+](Cc3ccc(F)cc3)C1)OC2 ZINC000306132322 209101915 /nfs/dbraw/zinc/10/19/15/209101915.db2.gz LFDOLZPGHJAVBM-FQEVSTJZSA-N 1 0 388.443 1.375 40 0 GDABRO CCN1C(=O)C[C@@H](C(=O)NCC[NH+]2CCCC2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000257223261 209058003 /nfs/dbraw/zinc/05/80/03/209058003.db2.gz DWOWJONZIXSLOO-UZLBHIALSA-N 1 0 389.496 1.825 40 0 GDABRO [NH3+]Cc1cccc(C(=O)NC[C@]2(O)CCN(c3ccnc4ccncc43)C2)c1 ZINC000257275863 209065940 /nfs/dbraw/zinc/06/59/40/209065940.db2.gz NRGSIUXAAOQYCE-OAQYLSRUSA-N 1 0 377.448 1.460 40 0 GDABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3scnc3C)CC2)CC1 ZINC000257280742 209066467 /nfs/dbraw/zinc/06/64/67/209066467.db2.gz OMDXTMHSIDQACI-LJQANCHMSA-N 1 0 394.541 1.409 40 0 GDABRO COc1ccccc1[C@@H]1C[NH2+]CCN1CC(=O)NCCc1nc2ccccc2[nH]1 ZINC000257286715 209069589 /nfs/dbraw/zinc/06/95/89/209069589.db2.gz PMSVCAZSJSAFGN-IBGZPJMESA-N 1 0 393.491 1.877 40 0 GDABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3ccccc3F)CC2)CC1 ZINC000257325778 209076553 /nfs/dbraw/zinc/07/65/53/209076553.db2.gz WUKGGVWFJJLCBL-OAQYLSRUSA-N 1 0 391.487 1.783 40 0 GDABRO CN(C[C@]1(O)CCN(c2ccnc3cccnc32)C1)C(=O)c1ccc(C[NH3+])cc1 ZINC000257322559 209077053 /nfs/dbraw/zinc/07/70/53/209077053.db2.gz WGMKCARNEBRREZ-JOCHJYFZSA-N 1 0 391.475 1.802 40 0 GDABRO CNC(=O)c1sc2nc(C3(C)CCN(C(=O)C[NH+](C)C)CC3)ccc2c1N ZINC000257334629 209077922 /nfs/dbraw/zinc/07/79/22/209077922.db2.gz YGSNHZMMGALBPG-UHFFFAOYSA-N 1 0 389.525 1.680 40 0 GDABRO CC1(C)CC(NC(=O)C(=O)Nc2ccccc2C(=O)NC2CC2)CC(C)(C)[NH2+]1 ZINC000408708967 528887564 /nfs/dbraw/zinc/88/75/64/528887564.db2.gz NPRJNURWKBYWGP-UHFFFAOYSA-N 1 0 386.496 1.943 40 0 GDABRO O=C(c1cccnc1)N1CC2(C1)C[N@@H+](CCc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514290131 560030701 /nfs/dbraw/zinc/03/07/01/560030701.db2.gz UEIYPHGPDOYNBD-NHCUHLMSSA-N 1 0 392.503 1.270 40 0 biogenic,in-vitro GDABRO O[C@]1(C[NH2+]Cc2cccc(CN3CCOCC3)c2)CCCN(c2ncccn2)C1 ZINC000585274313 570243444 /nfs/dbraw/zinc/24/34/44/570243444.db2.gz VCXAIAUSGCEDEB-QFIPXVFZSA-N 1 0 397.523 1.430 40 0 GDABRO CCOC(=O)N1CCC(O)(C[N@@H+]2CC[C@@H]3[C@H](C2)CCCCN3C(C)=O)CC1 ZINC000585282913 570250777 /nfs/dbraw/zinc/25/07/77/570250777.db2.gz JJCUOCBZHMXMGJ-ZWKOTPCHSA-N 1 0 381.517 1.693 40 0 GDABRO O=C(Cc1ccccc1)N1CC[C@](O)(C[NH2+]CCOc2ccccc2)[C@@H](O)C1 ZINC000585286221 570255713 /nfs/dbraw/zinc/25/57/13/570255713.db2.gz XRJVZQFXTSCLAI-UNMCSNQZSA-N 1 0 384.476 1.222 40 0 GDABRO COc1ccc(C[NH2+]C[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)cc1 ZINC000585291225 570259887 /nfs/dbraw/zinc/25/98/87/570259887.db2.gz LVEAVRDWKSFWGN-IRLDBZIGSA-N 1 0 384.476 1.352 40 0 GDABRO C[NH+](C)CCCNC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223456675 570467088 /nfs/dbraw/zinc/46/70/88/570467088.db2.gz XEXAGBXWGDBWFS-UHFFFAOYSA-N 1 0 399.513 1.072 40 0 GDABRO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N2CCC(n3nnc4ccccc4c3=O)CC2)C1 ZINC000012145860 570616369 /nfs/dbraw/zinc/61/63/69/570616369.db2.gz LFBALGZPRXAPNC-HZPDHXFCSA-N 1 0 383.496 1.933 40 0 GDABRO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[NH+](C)C)C2)cc1 ZINC000013679715 570773053 /nfs/dbraw/zinc/77/30/53/570773053.db2.gz NRNHTLXQQFWMQK-HNNXBMFYSA-N 1 0 383.514 1.164 40 0 GDABRO COc1cccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CC4CC4)C[C@@H]23)c1 ZINC000585105997 570935466 /nfs/dbraw/zinc/93/54/66/570935466.db2.gz BUCSMJYLFWRPBQ-MOPGFXCFSA-N 1 0 383.492 1.758 40 0 GDABRO CCOC(=O)[C@@]12C[N@H+](C)C[C@@H]1CN(C(=O)c1cn(C)nc1C(F)F)CCC2 ZINC000585108188 570940115 /nfs/dbraw/zinc/94/01/15/570940115.db2.gz PAQGZYKBYQJDKX-XIKOKIGWSA-N 1 0 384.427 1.705 40 0 GDABRO CC1CC[NH+]([C@H]2[C@@H](CNC(=O)Nc3ccc(F)cc3F)O[C@@H](CO)[C@H]2O)CC1 ZINC000020466010 575368535 /nfs/dbraw/zinc/36/85/35/575368535.db2.gz JOHDZLCOWWNCTK-VSZNYVQBSA-N 1 0 399.438 1.307 40 0 biogenic,in-vitro GDABRO CCOc1cc(C[NH2+]C(C)(C)CO)cc(Br)c1OCC(N)=O ZINC000008253709 530549284 /nfs/dbraw/zinc/54/92/84/530549284.db2.gz ZUIJJVFYSZELRQ-UHFFFAOYSA-N 1 0 375.263 1.572 40 0 GDABRO COc1ccc(N(CCCC(=O)NCC[NH+](C)C)S(C)(=O)=O)cc1Cl ZINC000013646400 530559061 /nfs/dbraw/zinc/55/90/61/530559061.db2.gz IHWFMLOTCYHHGD-UHFFFAOYSA-N 1 0 391.921 1.573 40 0 GDABRO N[C@]1(C[NH3+])[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218180395 531027849 /nfs/dbraw/zinc/02/78/49/531027849.db2.gz GTACBAKTANSLKN-IXDOHACOSA-N 1 0 380.853 1.665 40 0 GDABRO O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@H]1C[N@H+](Cc3cccs3)C[C@@H]21 ZINC000306143304 209107949 /nfs/dbraw/zinc/10/79/49/209107949.db2.gz XYDFFJUBMKOHMZ-NVXWUHKLSA-N 1 0 380.473 1.744 40 0 GDABRO COCCN1CC[C@H]([NH2+]CC2CC2)[C@@]2(CC(C(=O)NC3CCCC3)=NO2)C1 ZINC000306141955 209107063 /nfs/dbraw/zinc/10/70/63/209107063.db2.gz WLIHXIYYHYOGSH-AZUAARDMSA-N 1 0 378.517 1.281 40 0 GDABRO Cc1cc(C)cc(C[N@@H+]2CC[C@@]3(C2)Cn2c(=O)c(=O)n(CC4CC4)nc2CO3)c1 ZINC000306140008 209106955 /nfs/dbraw/zinc/10/69/55/209106955.db2.gz UGTDUENRGVJKCS-JOCHJYFZSA-N 1 0 396.491 1.607 40 0 GDABRO NS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000012238175 206874401 /nfs/dbraw/zinc/87/44/01/206874401.db2.gz XEGHQUWIERYEIP-KRWDZBQOSA-N 1 0 379.526 1.744 40 0 GDABRO CSCC[C@H]1[NH2+][C@]2(c3ccccc3N(C)C2=O)[C@@H]2C(=O)N(C(C)C)C(=O)[C@@H]12 ZINC000015277596 207050042 /nfs/dbraw/zinc/05/00/42/207050042.db2.gz LXNBVGNNHRSPEL-WJCADGGCSA-N 1 0 387.505 1.593 40 0 GDABRO C[C@H](Oc1ccccc1F)C(=O)N1CC[C@@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019077580 207100869 /nfs/dbraw/zinc/10/08/69/207100869.db2.gz PIFYLJHVVXLFKF-UONOGXRCSA-N 1 0 398.442 1.708 40 0 GDABRO CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)[C@H](C)[NH+]2CCCCC2)C3)C1 ZINC000019079294 207101266 /nfs/dbraw/zinc/10/12/66/207101266.db2.gz XZPKATDZXLGMOH-FUHWJXTLSA-N 1 0 399.539 1.962 40 0 GDABRO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@@H+](Cc1cnc(N3CCOCC3)nc1)C2 ZINC000019291425 207115319 /nfs/dbraw/zinc/11/53/19/207115319.db2.gz QUDZLZVENVDJIM-HTZLVSCSSA-N 1 0 398.511 1.166 40 0 GDABRO CCN(CC)S(=O)(=O)N1CC[C@H](c2nn(CC[NH+](C)C)c3ncccc23)C1 ZINC000019526455 207128323 /nfs/dbraw/zinc/12/83/23/207128323.db2.gz PGZBUQNYHIZJCL-HNNXBMFYSA-N 1 0 394.545 1.369 40 0 GDABRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc(C2CC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000019581950 207140095 /nfs/dbraw/zinc/14/00/95/207140095.db2.gz IZMQKWPBZZYKMC-JKSUJKDBSA-N 1 0 394.541 1.676 40 0 GDABRO COc1ccc(OC)c(CC(=O)N2CC[C@@H](c3ncc4c(n3)CC[NH2+]C4)C2)c1 ZINC000019551311 207131637 /nfs/dbraw/zinc/13/16/37/207131637.db2.gz FISYBAUJRFWYNC-CQSZACIVSA-N 1 0 382.464 1.698 40 0 GDABRO COc1ccc(OC)c(C[N@@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)c1 ZINC000019551679 207132594 /nfs/dbraw/zinc/13/25/94/207132594.db2.gz ZAUIYRNPUIIAAW-UHFFFAOYSA-N 1 0 393.447 1.845 40 0 GDABRO C[NH+](C)CCC1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 ZINC000019665674 207147715 /nfs/dbraw/zinc/14/77/15/207147715.db2.gz KBZXPDFAEOEIOQ-NRFANRHFSA-N 1 0 386.496 1.644 40 0 GDABRO Cc1c(-c2cncn2CC[NH2+][C@H]2CCS(=O)(=O)C2)cnn1Cc1ccccc1 ZINC000019654456 207145004 /nfs/dbraw/zinc/14/50/04/207145004.db2.gz WGYPFJCAOFBCQM-SFHVURJKSA-N 1 0 399.520 1.880 40 0 GDABRO COCc1ccc(C(=O)N2CCc3nnc([C@H]4CCC[N@H+](C)C4)n3CC2)cc1 ZINC000019709258 207151009 /nfs/dbraw/zinc/15/10/09/207151009.db2.gz RGRRRIKTJXASEM-SFHVURJKSA-N 1 0 383.496 1.932 40 0 GDABRO COc1cc2c(cc1C[N@@H+]1CCC[C@H](c3nnc4n3CCNC4)C1)OCCO2 ZINC000019711017 207152568 /nfs/dbraw/zinc/15/25/68/207152568.db2.gz XDINZWMTLLYQPR-AWEZNQCLSA-N 1 0 385.468 1.541 40 0 GDABRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(=O)n(CC(=O)NCc2ccccc2)c1 ZINC000019750906 207159372 /nfs/dbraw/zinc/15/93/72/207159372.db2.gz UOXXUCBZZMXQET-LJQANCHMSA-N 1 0 396.491 1.379 40 0 GDABRO CCN(CC)S(=O)(=O)N1CCCC[C@@H]1c1nc2c(c(NC)n1)C[NH2+]CC2 ZINC000072372184 208005741 /nfs/dbraw/zinc/00/57/41/208005741.db2.gz SMFXPJROQHVOLU-OAHLLOKOSA-N 1 0 382.534 1.278 40 0 GDABRO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C[C@@H](C)O1 ZINC000072373096 208005933 /nfs/dbraw/zinc/00/59/33/208005933.db2.gz SLLVMZXWBGLLHU-ZACQAIPSSA-N 1 0 388.512 1.395 40 0 GDABRO CCN1C[C@@]2(CC1=O)CN(C(=O)N(C)C)CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000096036217 208252657 /nfs/dbraw/zinc/25/26/57/208252657.db2.gz VNRFWEQSTRCWQZ-NRFANRHFSA-N 1 0 388.512 1.733 40 0 GDABRO Cc1ccc(N2C[C@]3(COCC[N@H+](CC4CCOCC4)C3)OCC2=O)s1 ZINC000096051474 208255006 /nfs/dbraw/zinc/25/50/06/208255006.db2.gz RGLWLFYMCHOLPL-LJQANCHMSA-N 1 0 380.510 1.917 40 0 GDABRO O=C(c1cn(-c2nc(C[NH+]3CCCC3)c3ccccn32)cn1)N1CCOCC1 ZINC000096267058 208300714 /nfs/dbraw/zinc/30/07/14/208300714.db2.gz JGOLKFVVWUPTDL-UHFFFAOYSA-N 1 0 380.452 1.588 40 0 GDABRO CCCCn1c(SCC[NH+]2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004212696 208539447 /nfs/dbraw/zinc/53/94/47/208539447.db2.gz PTJRNDOXZNNUAY-UHFFFAOYSA-N 1 0 379.530 1.812 40 0 GDABRO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2C[N@@H+](Cc4ccco4)C[C@@H]32)cc1 ZINC000306132680 209101801 /nfs/dbraw/zinc/10/18/01/209101801.db2.gz LPDLTNYVQUOLPW-SJLPKXTDSA-N 1 0 378.432 1.584 40 0 GDABRO CN1Cc2nnc(C(=O)NC3CCC3)n2C[C@@]12CC[N@H+](Cc1cccs1)C2 ZINC000306129774 209098763 /nfs/dbraw/zinc/09/87/63/209098763.db2.gz IMNIZBZEHZGMAT-IBGZPJMESA-N 1 0 386.525 1.712 40 0 GDABRO Cn1cc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306128618 209099515 /nfs/dbraw/zinc/09/95/15/209099515.db2.gz HGFQTYSPSDPNDI-CVEARBPZSA-N 1 0 377.452 1.568 40 0 GDABRO CC(=O)Nc1ccc2c(c1)nc1n2[C@@H](C[NH2+]C2CCN(C(C)=O)CC2)COC1 ZINC000096112761 209008930 /nfs/dbraw/zinc/00/89/30/209008930.db2.gz OERWQUMGXPAUIO-KRWDZBQOSA-N 1 0 385.468 1.667 40 0 biogenic,in-vitro GDABRO COCCNC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)cc2)CN(C)C(=O)C1 ZINC000096113442 209010710 /nfs/dbraw/zinc/01/07/10/209010710.db2.gz CWWAXQCOMHUGQL-QZTJIDSGSA-N 1 0 391.512 1.565 40 0 biogenic,in-vitro GDABRO O=S(=O)(c1ccc(F)cc1)N1Cc2ccnn2C[C@H](C[NH+]2CCCC2)C1 ZINC000247325231 209026689 /nfs/dbraw/zinc/02/66/89/209026689.db2.gz NEKAVNPGOBXPTJ-OAHLLOKOSA-N 1 0 378.473 1.939 40 0 GDABRO CNC(=O)c1cnn2c1nccc2C1CCN(C(=O)C[NH+]2CCCCCC2)CC1 ZINC000257215418 209057595 /nfs/dbraw/zinc/05/75/95/209057595.db2.gz CPZYEUNQKCVZMW-UHFFFAOYSA-N 1 0 398.511 1.671 40 0 GDABRO CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCCC[N@@H+]1CC1(O)CCOCC1 ZINC000257220112 209058330 /nfs/dbraw/zinc/05/83/30/209058330.db2.gz DJOQZFQBHNQKTP-INIZCTEOSA-N 1 0 387.484 1.500 40 0 GDABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3scnc3C)CC2)CC1 ZINC000257280741 209067498 /nfs/dbraw/zinc/06/74/98/209067498.db2.gz OMDXTMHSIDQACI-IBGZPJMESA-N 1 0 394.541 1.409 40 0 GDABRO COc1ccccc1C(=O)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224317389 136206651 /nfs/dbraw/zinc/20/66/51/136206651.db2.gz FIWHNMMFIRRCDS-UHFFFAOYSA-N 1 0 383.452 1.284 40 0 GDABRO Cn1cncc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCCC1 ZINC000257326168 209076979 /nfs/dbraw/zinc/07/69/79/209076979.db2.gz WWCNJZSDKGGPBB-LMCOJAPRSA-N 1 0 384.480 1.585 40 0 GDABRO CNc1nc([C@@H]2CC[NH2+]C2)nc2c1CCN(CC(=O)Nc1ccccc1F)C2 ZINC000257331977 209077359 /nfs/dbraw/zinc/07/73/59/209077359.db2.gz XVESAALBNSIBJW-CYBMUJFWSA-N 1 0 384.459 1.731 40 0 GDABRO COc1ccc(C[NH2+]CCn2nc([C@@H]3CCN(C(C)=O)C3)c3nccnc32)cc1 ZINC000072391607 222248496 /nfs/dbraw/zinc/24/84/96/222248496.db2.gz CTGOOKFGTALNFJ-QGZVFWFLSA-N 1 0 394.479 1.961 40 0 GDABRO COc1ccccc1C[NH2+]CCn1nc([C@@H]2CCN(C(C)=O)C2)c2nccnc21 ZINC000072391617 222249662 /nfs/dbraw/zinc/24/96/62/222249662.db2.gz FCBFLPHKJSKUPC-QGZVFWFLSA-N 1 0 394.479 1.961 40 0 GDABRO O[C@]1(C[NH2+]Cc2cccc(CN3CCOCC3)c2)CCCN(c2cnccn2)C1 ZINC000585274422 570243390 /nfs/dbraw/zinc/24/33/90/570243390.db2.gz WGAQSNDUVHPMRG-QFIPXVFZSA-N 1 0 397.523 1.430 40 0 GDABRO Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC2(CC1)C[C@H]([NH+](C)C)[C@@](C)(O)CO2 ZINC000585289788 570257679 /nfs/dbraw/zinc/25/76/79/570257679.db2.gz NSQGVJMYCWREAA-KDCRJJDASA-N 1 0 390.528 1.513 40 0 GDABRO O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(C[NH2+]Cc2ccc(F)cc2)C1 ZINC000585289868 570257772 /nfs/dbraw/zinc/25/77/72/570257772.db2.gz LPPLMEXRWQCSFX-QUCCMNQESA-N 1 0 392.858 1.746 40 0 GDABRO CS(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000042753255 570304645 /nfs/dbraw/zinc/30/46/45/570304645.db2.gz JZKDXTNZALIQTK-SFHVURJKSA-N 1 0 379.526 1.570 40 0 GDABRO CC[N@H+](CCO)C[C@H]1O[C@@H](c2ccccc2)O[C@@H]2[C@H]3OC(C)(C)O[C@@H]3O[C@@H]21 ZINC000004783401 570405322 /nfs/dbraw/zinc/40/53/22/570405322.db2.gz JGAJKIMRDZDQSF-RRQVMCLOSA-N 1 0 379.453 1.660 40 0 GDABRO C[C@H]1OC[C@@H](O)[C@H]([C@H](O)C(=O)CN(Cc2ccccc2)Cc2ccccc2)O1 ZINC000005496234 570442520 /nfs/dbraw/zinc/44/25/20/570442520.db2.gz NIBVLQIHAJKBNW-JJCGOBCMSA-N 1 0 385.460 1.741 40 0 GDABRO Cc1noc(C)c1COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1 ZINC000257305494 570488656 /nfs/dbraw/zinc/48/86/56/570488656.db2.gz SQGXYFUEVAQAMC-SFTDATJTSA-N 1 0 387.480 1.748 40 0 GDABRO CCc1nn(CC(=O)NC[C@H]2CCC[N@H+]2CC)c(=O)c2cc3ccsc3n21 ZINC000012144586 570615818 /nfs/dbraw/zinc/61/58/18/570615818.db2.gz GXMVAQBFOVULIZ-CQSZACIVSA-N 1 0 387.509 1.874 40 0 GDABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000044900664 570640354 /nfs/dbraw/zinc/64/03/54/570640354.db2.gz CZEJLGRMGODJFE-SJORKVTESA-N 1 0 388.578 1.276 40 0 GDABRO CS(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000260895071 570713665 /nfs/dbraw/zinc/71/36/65/570713665.db2.gz HYINERVFXOZGEL-IBGZPJMESA-N 1 0 393.553 1.960 40 0 GDABRO C[NH+](C)CCCNC(=O)c1cc2ccccc2cc1OCC(=O)N1CCOCC1 ZINC000006378891 570741289 /nfs/dbraw/zinc/74/12/89/570741289.db2.gz URDNUCMXJFCCOC-UHFFFAOYSA-N 1 0 399.491 1.759 40 0 GDABRO CC(=O)N[C@H]1CN(C(C)=O)C2(C1)CC[NH+](Cc1ccc3nccnc3c1)CC2 ZINC000257238960 570767355 /nfs/dbraw/zinc/76/73/55/570767355.db2.gz HNGOJCLJOUFSAD-GOSISDBHSA-N 1 0 381.480 1.721 40 0 GDABRO CCc1nn(CC(=O)NCCC[NH+](C)C)c(=O)c2cc3sc(C)cc3n21 ZINC000072334634 570879598 /nfs/dbraw/zinc/87/95/98/570879598.db2.gz GREILUQIHBBVAE-UHFFFAOYSA-N 1 0 375.498 1.649 40 0 GDABRO CCC(CC)C(=O)N1CCC(N2C(=O)NC3(CC[NH+](CC)CC3)C2=O)CC1 ZINC000019699553 570895394 /nfs/dbraw/zinc/89/53/94/570895394.db2.gz PSQTYOBQFSACEW-UHFFFAOYSA-N 1 0 378.517 1.820 40 0 GDABRO CS(=O)(=O)CCN1C(=O)CC[C@@]12CCC[N@H+](CC1CC(F)(F)C1)CC2 ZINC000585100625 570924844 /nfs/dbraw/zinc/92/48/44/570924844.db2.gz QLXRLIGOMKXESD-MRXNPFEDSA-N 1 0 378.485 1.923 40 0 GDABRO O=S(=O)(c1ccccc1)N1CCC2(CO[C@@H](C[NH+]3CCC(O)CC3)C2)CC1 ZINC000585103773 570928939 /nfs/dbraw/zinc/92/89/39/570928939.db2.gz JMQYRNBIOOWNLF-GOSISDBHSA-N 1 0 394.537 1.703 40 0 GDABRO O=C(Cc1ccc(F)cc1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC3CC3)C[C@@H]12 ZINC000585106264 570936255 /nfs/dbraw/zinc/93/62/55/570936255.db2.gz ZZSASBSAPPUIRG-MOPGFXCFSA-N 1 0 385.483 1.817 40 0 GDABRO O=C(c1cnccn1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000585106345 570936390 /nfs/dbraw/zinc/93/63/90/570936390.db2.gz YMIWHZKMLMPSFR-MSOLQXFVSA-N 1 0 391.475 1.329 40 0 GDABRO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000585106238 570936422 /nfs/dbraw/zinc/93/64/22/570936422.db2.gz YFVHAXYAVBKALE-MOPGFXCFSA-N 1 0 397.519 1.930 40 0 GDABRO Cc1noc(C)c1C(=O)N1CCc2nc3n(c(=O)c2C1)[C@H](C[NH+](C)C)CCC3 ZINC000585110162 570938988 /nfs/dbraw/zinc/93/89/88/570938988.db2.gz REEPYBCLVSQWLY-AWEZNQCLSA-N 1 0 385.468 1.486 40 0 GDABRO Cn1nnc2c1[C@H](COCC[NH+]1CCCC1)CN(C(=O)c1ccnc(F)c1)C2 ZINC000585110804 570943983 /nfs/dbraw/zinc/94/39/83/570943983.db2.gz IYTNDHNQNUKYLL-HNNXBMFYSA-N 1 0 388.447 1.201 40 0 GDABRO Cc1cc(N(CC(=O)NCC[NH+](C)C)S(C)(=O)=O)ccc1Br ZINC000013671041 530558873 /nfs/dbraw/zinc/55/88/73/530558873.db2.gz SXGLPYPWRVQUFD-UHFFFAOYSA-N 1 0 392.319 1.201 40 0 GDABRO CC[C@@H](C(=O)NCCC[NH+](C)C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712897 530559139 /nfs/dbraw/zinc/55/91/39/530559139.db2.gz FYLUQQVMOASOCX-HNNXBMFYSA-N 1 0 375.922 1.953 40 0 GDABRO [NH3+][C@@]1(CO)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000242592364 531055517 /nfs/dbraw/zinc/05/55/17/531055517.db2.gz OROBLVCQQPGSEC-BRWVUGGUSA-N 1 0 381.837 1.698 40 0 GDABRO COc1cccc(NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@H]([NH+]3CCCCC3)[C@H]2O)c1 ZINC000012529635 291111055 /nfs/dbraw/zinc/11/10/55/291111055.db2.gz QQONNMXPRRZRAR-HSFUPAIVSA-N 1 0 377.441 1.156 40 0 biogenic,in-vitro GDABRO C[NH+](C)CCCNC(=O)CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O ZINC000054360973 209112954 /nfs/dbraw/zinc/11/29/54/209112954.db2.gz NMSJYSFOOSXCCB-DHDCSXOGSA-N 1 0 391.449 1.520 40 0 GDABRO COc1ccccc1CNc1cc(-c2ccncc2)nc(NCC[NH+](C)C)n1 ZINC000328984005 206240002 /nfs/dbraw/zinc/24/00/02/206240002.db2.gz HJXJXOALWJPCEA-UHFFFAOYSA-N 1 0 378.480 1.977 40 0 GDABRO O=C(NCCc1ccccc1)c1cn2c(nc1=O)C[C@]1(CC[N@H+](CC3CC3)C1)C2 ZINC000306141527 209106384 /nfs/dbraw/zinc/10/63/84/209106384.db2.gz VZFSYRVLCXZBLK-QHCPKHFHSA-N 1 0 392.503 1.874 40 0 GDABRO Cc1ncsc1C[NH+]1CCC2(CCn3c2nn(C(C)C)c(=O)c3=O)CC1 ZINC000306141566 209106182 /nfs/dbraw/zinc/10/61/82/209106182.db2.gz WAPFVAKINRDGJB-UHFFFAOYSA-N 1 0 375.498 1.688 40 0 GDABRO C[C@@H](Oc1ccc(F)cc1)C(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21 ZINC000019080289 207100669 /nfs/dbraw/zinc/10/06/69/207100669.db2.gz LYMPZBNZUJAQME-KGLIPLIRSA-N 1 0 398.442 1.626 40 0 GDABRO CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)C[NH+]3CCCCCC3)ncc2C1 ZINC000019018508 207099011 /nfs/dbraw/zinc/09/90/11/207099011.db2.gz MNYHLJBMFFJOMV-LJQANCHMSA-N 1 0 385.512 1.921 40 0 GDABRO C[C@H](Oc1ccc(F)cc1)C(=O)N1CC[C@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019077558 207101780 /nfs/dbraw/zinc/10/17/80/207101780.db2.gz RPJTZTXJFILSKN-KBPBESRZSA-N 1 0 398.442 1.708 40 0 GDABRO CCn1cc(S(=O)(=O)N2CCC(O)(C[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000019525011 207129404 /nfs/dbraw/zinc/12/94/04/207129404.db2.gz OOZSWKGTBPQZQB-UHFFFAOYSA-N 1 0 392.525 1.551 40 0 GDABRO COc1ccc(CC(=O)N2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1F ZINC000019559524 207133746 /nfs/dbraw/zinc/13/37/46/207133746.db2.gz ZEHIYXAMDWUTSP-CQSZACIVSA-N 1 0 398.442 1.491 40 0 GDABRO COc1ccccc1CC(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21 ZINC000019569763 207135610 /nfs/dbraw/zinc/13/56/10/207135610.db2.gz WWYIWMWJNHLPNS-INIZCTEOSA-N 1 0 379.464 1.876 40 0 GDABRO CCOc1ccc(CC(=O)NCCn2nc([C@@H]3CC[NH2+]C3)c3nccnc32)cc1 ZINC000019533058 207131214 /nfs/dbraw/zinc/13/12/14/207131214.db2.gz RBFVRMOQGGQRST-MRXNPFEDSA-N 1 0 394.479 1.661 40 0 GDABRO C=Cn1ncc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)c1C ZINC000019554363 207132897 /nfs/dbraw/zinc/13/28/97/207132897.db2.gz SVAWYHZVUHTGOL-INIZCTEOSA-N 1 0 384.484 1.592 40 0 GDABRO NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCN(c3nc4ccccc4s3)CC2)C1 ZINC000019663724 207147744 /nfs/dbraw/zinc/14/77/44/207147744.db2.gz NOSRSJCUZARQSH-AWEZNQCLSA-N 1 0 387.509 1.142 40 0 GDABRO CC(C)CC(=O)N1CCC[C@H](N2C(=O)NC3(CC[NH+](C(C)C)CC3)C2=O)C1 ZINC000019699841 207149596 /nfs/dbraw/zinc/14/95/96/207149596.db2.gz CAKRYROGTVZSOR-INIZCTEOSA-N 1 0 378.517 1.818 40 0 GDABRO CCC(=O)N1CC[C@@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1 ZINC000019700778 207149955 /nfs/dbraw/zinc/14/99/55/207149955.db2.gz GOOHTFJZLKQFQH-GOSISDBHSA-N 1 0 398.507 1.626 40 0 GDABRO C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)c4cc(C5CC5)n[nH]4)C3)[nH]c(=O)c2C1 ZINC000019590264 207142212 /nfs/dbraw/zinc/14/22/12/207142212.db2.gz CFHKTYXAVJHJRA-ZDUSSCGKSA-N 1 0 382.468 1.790 40 0 GDABRO C[N@@H+]1CCC[C@@H](c2nnc3n2CCN(S(=O)(=O)c2ccccc2Cl)C3)C1 ZINC000019711108 207151717 /nfs/dbraw/zinc/15/17/17/207151717.db2.gz NQYYLOYXOWGIPU-CYBMUJFWSA-N 1 0 395.916 1.945 40 0 GDABRO COc1cc2c(cc1CN1CCC[C@H]1c1nnc3n1CC[NH2+]CC3)OCCO2 ZINC000019710633 207151960 /nfs/dbraw/zinc/15/19/60/207151960.db2.gz XXDWAPOXESHIPT-HNNXBMFYSA-N 1 0 385.468 1.541 40 0 GDABRO CN(C)c1ccc(C(=O)N2CCc3nnc([C@H]4CCC[N@H+](C)C4)n3CC2)cc1 ZINC000019709489 207152759 /nfs/dbraw/zinc/15/27/59/207152759.db2.gz OPTRPDHOSSLWSE-KRWDZBQOSA-N 1 0 382.512 1.852 40 0 GDABRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccn(CC(=O)NCc2ccccc2)c1=O ZINC000019750204 207159794 /nfs/dbraw/zinc/15/97/94/207159794.db2.gz HLZASFRDGJEPBY-SFHVURJKSA-N 1 0 396.491 1.379 40 0 GDABRO O=S1(=O)CC[C@H]([NH2+]CCn2cncc2-c2cnc(N3CCCCC3)s2)C1 ZINC000019719450 207154874 /nfs/dbraw/zinc/15/48/74/207154874.db2.gz DWYVHGFAIYYYRC-AWEZNQCLSA-N 1 0 395.554 1.774 40 0 GDABRO COc1cc(CN2CCC([NH+]3CCN(CCO)CC3)CC2)cc(OC)c1OC ZINC000020228310 207185128 /nfs/dbraw/zinc/18/51/28/207185128.db2.gz VRMBEGBQDBAVJD-UHFFFAOYSA-N 1 0 393.528 1.287 40 0 GDABRO OC[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)C[N@@H+]1CCCCCOCC12CC3CC(CC(C3)C1)C2 ZINC000027646862 207328884 /nfs/dbraw/zinc/32/88/84/207328884.db2.gz XVYLNHVEAOOEGI-RROAVTMRSA-N 1 0 397.556 1.149 40 0 in-vitro GDABRO COc1ccccc1S(=O)(=O)N1CCC[C@H]1c1nnc2n1CC[N@@H+](C)C2 ZINC000072372854 208006364 /nfs/dbraw/zinc/00/63/64/208006364.db2.gz DYUOIHULFZXNMU-ZDUSSCGKSA-N 1 0 377.470 1.258 40 0 GDABRO CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3cnn(C)c3)CC2)O1 ZINC000096144908 208273825 /nfs/dbraw/zinc/27/38/25/208273825.db2.gz PKVGTTCBJKVKHG-QGZVFWFLSA-N 1 0 386.500 1.375 40 0 GDABRO CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CC[NH+](Cc2cccnc2)CC3)C1=O ZINC000096036585 208255667 /nfs/dbraw/zinc/25/56/67/208255667.db2.gz KXXXODWNVDIOOX-JOCHJYFZSA-N 1 0 399.539 1.900 40 0 GDABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)cc1 ZINC000096050424 208256116 /nfs/dbraw/zinc/25/61/16/208256116.db2.gz YJVVQEBWBUKKDH-OAQYLSRUSA-N 1 0 397.479 1.269 40 0 GDABRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(S(C)(=O)=O)CC2)c2ccccc21 ZINC000096052912 208256897 /nfs/dbraw/zinc/25/68/97/208256897.db2.gz LQXRGBWPJJFSRW-INIZCTEOSA-N 1 0 393.553 1.535 40 0 GDABRO COc1cccc(CC(=O)N2CCC3(C[C@H]([NH+]4CCN(C)CC4)CO3)CC2)c1 ZINC000096220837 208285745 /nfs/dbraw/zinc/28/57/45/208285745.db2.gz HOZWCNQBBUPRHZ-IBGZPJMESA-N 1 0 387.524 1.635 40 0 GDABRO CCN1CC2(CCN(C(=O)C[NH+](C)C)CC2)COc2ccccc2S1(=O)=O ZINC000096263499 208297090 /nfs/dbraw/zinc/29/70/90/208297090.db2.gz OZBSXOIGVBYGMK-UHFFFAOYSA-N 1 0 395.525 1.260 40 0 GDABRO O=C([C@H]1Cn2ccnc2C2(CC[NH+](Cc3cccnc3)CC2)O1)N1CCCC1 ZINC000096263176 208297450 /nfs/dbraw/zinc/29/74/50/208297450.db2.gz BDTRZPVRYZKFED-GOSISDBHSA-N 1 0 381.480 1.791 40 0 GDABRO CN(Cc1ccccc1)C(=O)[C@@H]1C[N@H+](C)CC2(CCN(C(=O)C3CC3)CC2)O1 ZINC000306132955 209102759 /nfs/dbraw/zinc/10/27/59/209102759.db2.gz LXKCYNNDBJCCLW-IBGZPJMESA-N 1 0 385.508 1.747 40 0 GDABRO CC(C)NC(=O)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306134946 209102545 /nfs/dbraw/zinc/10/25/45/209102545.db2.gz OCDNXFLDVUEVAH-GJZGRUSLSA-N 1 0 383.452 1.449 40 0 GDABRO O=C(NC1CCC1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306133302 209102414 /nfs/dbraw/zinc/10/24/14/209102414.db2.gz MHXKAZGMKDXGHL-HUUCEWRRSA-N 1 0 395.463 1.593 40 0 GDABRO Cn1cc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306128619 209100482 /nfs/dbraw/zinc/10/04/82/209100482.db2.gz HGFQTYSPSDPNDI-HOTGVXAUSA-N 1 0 377.452 1.568 40 0 GDABRO Cc1ccc(CN(CC(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)cc1 ZINC000223579834 208905178 /nfs/dbraw/zinc/90/51/78/208905178.db2.gz FYLWHPAYRGYXMY-UHFFFAOYSA-N 1 0 395.569 1.995 40 0 GDABRO CN(c1ccc(OCC(=O)NCCC[NH+]2CCCCCC2)cc1)S(C)(=O)=O ZINC000223567851 208905281 /nfs/dbraw/zinc/90/52/81/208905281.db2.gz HCDHFCYUSGWXIO-UHFFFAOYSA-N 1 0 397.541 1.844 40 0 GDABRO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3nccs3)C[C@@H]1C2 ZINC000306128522 209099971 /nfs/dbraw/zinc/09/99/71/209099971.db2.gz HCXHGHSIEDVILX-HOTGVXAUSA-N 1 0 394.504 1.969 40 0 GDABRO Cn1cc(C[NH+]2CCC(c3nnc4ccc(-c5ccnn5C)nn43)CC2)cn1 ZINC000306128981 209099394 /nfs/dbraw/zinc/09/93/94/209099394.db2.gz HQGLKPWWLGKNPA-UHFFFAOYSA-N 1 0 377.456 1.638 40 0 GDABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cn1 ZINC000306124771 209096736 /nfs/dbraw/zinc/09/67/36/209096736.db2.gz BYXYPCOVTLIDRB-QGZVFWFLSA-N 1 0 381.484 1.679 40 0 GDABRO O=C(NCC[C@@H]1C[N@H+](CC2CCOCC2)Cc2ccnn21)c1cscn1 ZINC000247505531 209026091 /nfs/dbraw/zinc/02/60/91/209026091.db2.gz RGUJLRPHEBCUFD-OAHLLOKOSA-N 1 0 375.498 1.943 40 0 GDABRO COc1ccc(S(=O)(=O)N2Cc3ccnn3C[C@H](CC[NH+](C)C)C2)cc1 ZINC000248156605 209028756 /nfs/dbraw/zinc/02/87/56/209028756.db2.gz ZJRPUEYAIDADRD-OAHLLOKOSA-N 1 0 378.498 1.664 40 0 GDABRO Cn1cnc(S(=O)(=O)N2C[C@H]3CCC[C@@H]([N@H+](C)Cc4ccco4)[C@@H]3C2)c1 ZINC000248128795 209028796 /nfs/dbraw/zinc/02/87/96/209028796.db2.gz PRSAGFLWOVQIAT-DJIMGWMZSA-N 1 0 378.498 1.934 40 0 GDABRO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@@H+]2C2CCN(S(C)(=O)=O)CC2)n1 ZINC000257284954 209068502 /nfs/dbraw/zinc/06/85/02/209068502.db2.gz PFAHODATJWMVFE-QGZVFWFLSA-N 1 0 390.513 1.736 40 0 GDABRO CCc1cc(C(=O)N2CCC[C@](O)(C[NH+]3CCC(NC(C)=O)CC3)CC2)on1 ZINC000257288444 209068748 /nfs/dbraw/zinc/06/87/48/209068748.db2.gz PUFKEKISXBSCHE-HXUWFJFHSA-N 1 0 392.500 1.195 40 0 GDABRO O=C1[C@H]2C=NNC2=NC(SCc2cn3cccnc3n2)=[N+]1c1ccccc1 ZINC000101356938 136189520 /nfs/dbraw/zinc/18/95/20/136189520.db2.gz RETBSPJKBQAZML-AWEZNQCLSA-O 1 0 376.425 1.807 40 0 GDABRO CN(C)c1cn[nH+]c(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c1 ZINC000224315122 136206775 /nfs/dbraw/zinc/20/67/75/136206775.db2.gz ADPXRJUOLTVHLR-UHFFFAOYSA-N 1 0 381.889 1.707 40 0 GDABRO CC(=O)N[C@]12CN(C(=O)c3ccnn3C)[C@H](c3ccccc3)[C@H]1CC[N@@H+](C)C2 ZINC000257307881 209073370 /nfs/dbraw/zinc/07/33/70/209073370.db2.gz TUMDNKZGTYLFTC-YFVAEKQCSA-N 1 0 381.480 1.444 40 0 GDABRO 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C[NH+](C)C[C@@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)Cc1cccc(F)c1)CC3 ZINC000585110182 570939199 /nfs/dbraw/zinc/93/91/99/570939199.db2.gz SRIRXLIKFVWOGJ-KRWDZBQOSA-N 1 0 398.482 1.949 40 0 GDABRO [NH3+]CCCCCC(=O)N1CCOCCOc2ccccc2OCCOCC1 ZINC000008519651 570976796 /nfs/dbraw/zinc/97/67/96/570976796.db2.gz DKDZVPXBZIQZEQ-UHFFFAOYSA-N 1 0 380.485 1.839 40 0 GDABRO Cc1ccc(C(=O)NCCN2CC[NH+](C)CC2)c(I)c1 ZINC000225028713 531030025 /nfs/dbraw/zinc/03/00/25/531030025.db2.gz PYZMJTDDQYANLK-UHFFFAOYSA-N 1 0 387.265 1.577 40 0 GDABRO C[NH+](C)CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000298196185 531862673 /nfs/dbraw/zinc/86/26/73/531862673.db2.gz NFCUTNQAUGKRAA-UHFFFAOYSA-N 1 0 389.905 1.042 40 0 GDABRO CCCCNC(=O)N1CC[C@@H]([NH2+]CC2CC2)[C@]2(CC(C(=O)NC(C)C)=NO2)C1 ZINC000306142802 209108277 /nfs/dbraw/zinc/10/82/77/209108277.db2.gz XKHQPEMWQRWUOD-XLIONFOSSA-N 1 0 393.532 1.610 40 0 GDABRO C[NH+](C)CCNc1nc(NC(=O)c2cccc(N)c2)cc(-c2ccccn2)n1 ZINC000328979241 206239229 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OFJMHLGIQGPCRB-INIZCTEOSA-N 1 0 399.539 1.819 40 0 GDABRO CC[NH+]1CCN(c2nc([C@@H]3CC(=O)N(Cc4ccccc4)C3)cc(=O)[nH]2)CC1 ZINC000019528237 207129715 /nfs/dbraw/zinc/12/97/15/207129715.db2.gz AHBCLHFDPKWQEA-QGZVFWFLSA-N 1 0 381.480 1.840 40 0 GDABRO COc1ccc(CC(=O)N2CC[C@@H](c3ncc4c(n3)CC[NH2+]C4)C2)cc1OC ZINC000019560350 207135115 /nfs/dbraw/zinc/13/51/15/207135115.db2.gz YIURIISWYRIYRO-OAHLLOKOSA-N 1 0 382.464 1.698 40 0 GDABRO C[NH+]1CCC(c2ncc3c(n2)CCN(C(=O)COC[C@H]2CCCCO2)C3)CC1 ZINC000019588287 207139792 /nfs/dbraw/zinc/13/97/92/207139792.db2.gz QTBRRZTYRQOXPN-GOSISDBHSA-N 1 0 388.512 1.756 40 0 GDABRO CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CCN(S(=O)(=O)C1CCCCC1)C2 ZINC000019707136 207150171 /nfs/dbraw/zinc/15/01/71/207150171.db2.gz LRPQAEYTYZGQIH-HNNXBMFYSA-N 1 0 379.530 1.963 40 0 GDABRO CN1CCCc2cc(C(=O)N3CCC[C@H]3c3nnc4n3CC[NH2+]CC4)ccc21 ZINC000019710625 207152059 /nfs/dbraw/zinc/15/20/59/207152059.db2.gz LIZBQRMALBKNPZ-SFHVURJKSA-N 1 0 380.496 1.784 40 0 GDABRO 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CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N(C)Cc1ccccn1 ZINC000096251089 208296815 /nfs/dbraw/zinc/29/68/15/208296815.db2.gz IMLPWVAPDOEXQV-GUDVDZBRSA-N 1 0 393.553 1.821 40 0 GDABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCC1)Cc1ccccc1F ZINC000223114573 208893157 /nfs/dbraw/zinc/89/31/57/208893157.db2.gz SXCCNMYOJJAKDV-UHFFFAOYSA-N 1 0 385.505 1.580 40 0 GDABRO O=C(NC1CC1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306130959 209099210 /nfs/dbraw/zinc/09/92/10/209099210.db2.gz JTJCWSMTCAAEOL-ZIAGYGMSSA-N 1 0 381.436 1.203 40 0 GDABRO CN1C[C@H]([NH2+]Cc2cccnc2)CCC[C@@H](C(=O)NC2CCOCC2)CC1=O ZINC000096113496 209010764 /nfs/dbraw/zinc/01/07/64/209010764.db2.gz OEIRMFMXKUHWHN-IEBWSBKVSA-N 1 0 388.512 1.484 40 0 biogenic,in-vitro GDABRO NC(=O)[C@@H]1C[N@H+](CCc2ccccc2)CCN1C(=O)Cc1c[nH]c2ccccc12 ZINC000257209820 209055839 /nfs/dbraw/zinc/05/58/39/209055839.db2.gz BRZMUXOIIMKTFP-NRFANRHFSA-N 1 0 390.487 1.951 40 0 GDABRO CCN1CCN(C(=O)C[NH2+]C)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 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40 0 GDABRO CC(=O)N1CCc2nc([C@H]3CCCN(C(=O)C[N@H+]4CCC[C@H](C)C4)C3)ncc2C1 ZINC000072397271 208014962 /nfs/dbraw/zinc/01/49/62/208014962.db2.gz OHQXHLFZKISAMU-WMZOPIPTSA-N 1 0 399.539 1.819 40 0 GDABRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CSc2nccc(=O)n2C1 ZINC000090609916 208114843 /nfs/dbraw/zinc/11/48/43/208114843.db2.gz FMAZESZEXSABRT-INIZCTEOSA-N 1 0 384.505 1.746 40 0 GDABRO CCN1C[C@]2(CC1=O)CN(C(=O)N(C)C)CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000096036216 208254115 /nfs/dbraw/zinc/25/41/15/208254115.db2.gz VNRFWEQSTRCWQZ-OAQYLSRUSA-N 1 0 388.512 1.733 40 0 GDABRO Cn1cc(C[NH+]2CCC3(CC2)c2ncc(-c4cnn(C)c4)n2CCN3C)cn1 ZINC000096036949 208255539 /nfs/dbraw/zinc/25/55/39/208255539.db2.gz HTMZQEHOSGGGAA-UHFFFAOYSA-N 1 0 380.500 1.454 40 0 GDABRO CN(C)c1nc2c(cc1C(=O)NCC1CC1)CC[N@H+](Cc1cnn(C)c1)CC2 ZINC000096260360 208295977 /nfs/dbraw/zinc/29/59/77/208295977.db2.gz WODWOXFWVUECDN-UHFFFAOYSA-N 1 0 382.512 1.622 40 0 GDABRO CC(C)CS(=O)(=O)N1CCC2(CC[C@@]3(C(=O)N(C)C)C[N@H+](C)C[C@@H]23)CC1 ZINC000096262423 208299009 /nfs/dbraw/zinc/29/90/09/208299009.db2.gz ZRUGPKPCACRXHT-QFBILLFUSA-N 1 0 385.574 1.484 40 0 GDABRO Cn1cc(C[NH+]2CCC3(CN(c4ncccn4)C[C@@]34CCN(C)C4=O)CC2)cn1 ZINC000097952857 208363356 /nfs/dbraw/zinc/36/33/56/208363356.db2.gz XOVACDFSGANZSL-OAQYLSRUSA-N 1 0 395.511 1.161 40 0 GDABRO COc1ncccc1C[N@@H+]1CC[C@@]2(C1)CCn1ncnc1[C@@H]2NC(=O)C1CC1 ZINC000306136041 209104610 /nfs/dbraw/zinc/10/46/10/209104610.db2.gz PHGVPQZLLLBVCW-JXFKEZNVSA-N 1 0 382.468 1.545 40 0 GDABRO CCN1Cc2sc(C(=O)NCC[NH+](C)C)nc2-c2ccccc2S1(=O)=O ZINC000306135110 209104440 /nfs/dbraw/zinc/10/44/40/209104440.db2.gz OIBMTNRXMDYSEV-UHFFFAOYSA-N 1 0 394.522 1.626 40 0 GDABRO O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@@]1(CC[N@H+](Cc3ccncc3)C1)C2 ZINC000306136787 209103857 /nfs/dbraw/zinc/10/38/57/209103857.db2.gz QDJAWMDWVIACGO-QFIPXVFZSA-N 1 0 389.459 1.297 40 0 GDABRO Cc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cn[nH+]3)CC2)c(C)c1 ZINC000224313665 136206757 /nfs/dbraw/zinc/20/67/57/136206757.db2.gz MEEILUUJNICXCL-UHFFFAOYSA-N 1 0 375.498 1.670 40 0 GDABRO CN(C)C(=O)[C@]1(C)C[N@H+](CC2(O)CCN(c3ccccc3F)CC2)CCO1 ZINC000585282981 570250745 /nfs/dbraw/zinc/25/07/45/570250745.db2.gz LEGLNIFBTNPXGG-IBGZPJMESA-N 1 0 379.476 1.336 40 0 GDABRO O=C(Nc1ccccc1)N1C[C@@H]2COCCN2C2(C[NH+](C3CCOCC3)C2)C1 ZINC000604381002 570352237 /nfs/dbraw/zinc/35/22/37/570352237.db2.gz APXBFIDTXHPEFJ-LJQANCHMSA-N 1 0 386.496 1.468 40 0 biogenic,in-vitro GDABRO C[C@@H]1OC[C@@H](O)[C@H]([C@H](O)C(=O)CN(Cc2ccccc2)Cc2ccccc2)O1 ZINC000005496233 570442605 /nfs/dbraw/zinc/44/26/05/570442605.db2.gz NIBVLQIHAJKBNW-XUFNMVPLSA-N 1 0 385.460 1.741 40 0 GDABRO Cn1ccnc1COc1ccc(C[NH2+]C[C@]2(O)CCN(c3ncccn3)C2)cc1 ZINC000257322422 570487469 /nfs/dbraw/zinc/48/74/69/570487469.db2.gz WFXABQDGPJGCDG-OAQYLSRUSA-N 1 0 394.479 1.520 40 0 GDABRO COc1ccc(OC)c(N(CC(=O)NCCC[NH+]2CCCC2)S(C)(=O)=O)c1 ZINC000010450074 570570834 /nfs/dbraw/zinc/57/08/34/570570834.db2.gz RUENNDBUVWCAJV-UHFFFAOYSA-N 1 0 399.513 1.072 40 0 GDABRO COc1ccccc1-c1c2c(ccn(CC[NH+](C)C)c2=O)nc2nc(C)nn21 ZINC000040398444 570601715 /nfs/dbraw/zinc/60/17/15/570601715.db2.gz WATUWJCSRXFIGX-UHFFFAOYSA-N 1 0 378.436 1.985 40 0 GDABRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)N2CCC(n3nnc4ccccc4c3=O)CC2)C1 ZINC000012145862 570616431 /nfs/dbraw/zinc/61/64/31/570616431.db2.gz LFBALGZPRXAPNC-IYBDPMFKSA-N 1 0 383.496 1.933 40 0 GDABRO C[NH+](C)CCNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000013674186 570771236 /nfs/dbraw/zinc/77/12/36/570771236.db2.gz QMWMDAGQKFBYJC-UHFFFAOYSA-N 1 0 391.493 1.923 40 0 GDABRO CC[C@@H](C(=O)NCC[NH+]1CCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715966 570779111 /nfs/dbraw/zinc/77/91/11/570779111.db2.gz MEFGQWLKTWNMRZ-KRWDZBQOSA-N 1 0 385.505 1.972 40 0 GDABRO CN(CC[NH+](C)C)C(=O)CN1CC[C@@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000072327569 570879056 /nfs/dbraw/zinc/87/90/56/570879056.db2.gz AIHVHDGWQFAYHN-OAQYLSRUSA-N 1 0 387.480 1.423 40 0 GDABRO COC[C@@H]1CC2(C[N@@H+]1Cc1cccnc1)CCN(C(=O)Cc1ccn(C)n1)CC2 ZINC000585104016 570929700 /nfs/dbraw/zinc/92/97/00/570929700.db2.gz ZEXQAPPYSRNYAC-FQEVSTJZSA-N 1 0 397.523 1.887 40 0 GDABRO O=C(COc1ccccc1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC3CC3)C[C@@H]12 ZINC000585106130 570935885 /nfs/dbraw/zinc/93/58/85/570935885.db2.gz PSAGQBVZEMCZTO-MOPGFXCFSA-N 1 0 383.492 1.514 40 0 GDABRO CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CC[N@H+](CC2(O)CCOCC2)C1 ZINC000585180143 570999724 /nfs/dbraw/zinc/99/97/24/570999724.db2.gz OVUJOEGWNKNNFC-CYBMUJFWSA-N 1 0 390.509 1.724 40 0 GDABRO CCOc1ccc(Br)cc1C[NH2+]CCNC(=O)c1nonc1N ZINC000008324510 530549112 /nfs/dbraw/zinc/54/91/12/530549112.db2.gz RUTFDZOMODIXJU-UHFFFAOYSA-N 1 0 384.234 1.333 40 0 GDABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC000013676559 530558912 /nfs/dbraw/zinc/55/89/12/530558912.db2.gz IJTJSDCNYZOPTR-UHFFFAOYSA-N 1 0 375.441 1.333 40 0 GDABRO CC(=O)N1CCC([N@@H+]2CCN3[C@H](CN(C(=O)c4ccccc4)CC3(C)C)C2)CC1 ZINC000253400782 206283659 /nfs/dbraw/zinc/28/36/59/206283659.db2.gz LVMLSWNUWBSODT-NRFANRHFSA-N 1 0 398.551 1.918 40 0 biogenic,in-vitro GDABRO CC[NH+](CC)CCOc1ccc(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)cc1 ZINC000001620714 206387536 /nfs/dbraw/zinc/38/75/36/206387536.db2.gz JGXBTRGYOPUAER-UHFFFAOYSA-N 1 0 385.468 1.272 40 0 GDABRO CC(=O)N1CCc2nc(C3CCN(C(=O)[C@@H](C)[NH+]4CCCC4)CC3)ncc2C1 ZINC000019078081 207100610 /nfs/dbraw/zinc/10/06/10/207100610.db2.gz LLPVHFXSQXWNSY-OAHLLOKOSA-N 1 0 385.512 1.572 40 0 GDABRO Cc1cccc(N2C[C@H](c3cc(=O)[nH]c(N(C)CC[NH+](C)C)n3)CC2=O)c1C ZINC000019235548 207109815 /nfs/dbraw/zinc/10/98/15/207109815.db2.gz RWZKTXNGPAILOF-MRXNPFEDSA-N 1 0 383.496 1.905 40 0 GDABRO O=C(C1CCC1)N1CCc2c(=O)[nH]c([C@@H]3CC[N@H+](Cc4cccnc4)C3)nc2C1 ZINC000019338877 207115903 /nfs/dbraw/zinc/11/59/03/207115903.db2.gz SUBZFIPKRAEWJN-QGZVFWFLSA-N 1 0 393.491 1.839 40 0 GDABRO O=C(COc1ccccc1F)NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21 ZINC000019350238 207118263 /nfs/dbraw/zinc/11/82/63/207118263.db2.gz XZWAEZFNUIVPNP-ZDUSSCGKSA-N 1 0 384.415 1.238 40 0 GDABRO [NH3+]CCn1nc([C@H]2CCN(C(=O)[C@H]3OCCc4ccccc43)C2)c2nccnc21 ZINC000019375439 207120090 /nfs/dbraw/zinc/12/00/90/207120090.db2.gz KRVHRECAGNVMNX-KXBFYZLASA-N 1 0 392.463 1.415 40 0 GDABRO C[NH+](C)C[C@@H]1CN(C(=O)c2ccncc2)C[C@]12CCc1ccccc1C(=O)N2 ZINC000019583351 207140022 /nfs/dbraw/zinc/14/00/22/207140022.db2.gz SASVMLYFHPDFMY-XMSQKQJNSA-N 1 0 378.476 1.830 40 0 GDABRO COc1ccccc1CC(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21 ZINC000019569757 207136324 /nfs/dbraw/zinc/13/63/24/207136324.db2.gz VRNAHWCNJBLNPE-HNNXBMFYSA-N 1 0 380.452 1.271 40 0 GDABRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc(C2CC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000019581954 207139086 /nfs/dbraw/zinc/13/90/86/207139086.db2.gz IZMQKWPBZZYKMC-HZPDHXFCSA-N 1 0 394.541 1.676 40 0 GDABRO Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2nnc3n2CC[NH2+]CC3)ccc1F ZINC000019710638 207152094 /nfs/dbraw/zinc/15/20/94/207152094.db2.gz UMWFMMDEQVXNGA-OAHLLOKOSA-N 1 0 379.461 1.397 40 0 GDABRO COc1ccc(C)cc1NC(=O)C[C@H]1N=C(NC(=[NH2+])Nc2ccccc2)NC1=O ZINC000020799122 207215259 /nfs/dbraw/zinc/21/52/59/207215259.db2.gz KILPSLNFGKZCHZ-OAHLLOKOSA-N 1 0 394.435 1.823 40 0 GDABRO CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000024390074 207290644 /nfs/dbraw/zinc/29/06/44/207290644.db2.gz NIJBVYLUCVBCON-UHFFFAOYSA-N 1 0 393.553 1.960 40 0 GDABRO C[NH+](C)CCN1[C@]2(CCN(Cc3nccs3)C2)c2ccccc2S1(=O)=O ZINC000096143087 208271891 /nfs/dbraw/zinc/27/18/91/208271891.db2.gz WKCXVCQSPHSDST-SFHVURJKSA-N 1 0 392.550 1.810 40 0 GDABRO CC[N@@H+]1CC[C@@]2(C(=O)N3CCOCC3)CCN(C(=O)Cc3ccccc3)CC[C@@H]12 ZINC000096145322 208274114 /nfs/dbraw/zinc/27/41/14/208274114.db2.gz UEQLVRSTQCTYCQ-NFBKMPQASA-N 1 0 399.535 1.791 40 0 GDABRO CCn1nc(C)cc1C(=O)N1CCC[C@]2(C[C@@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096228414 208290417 /nfs/dbraw/zinc/29/04/17/208290417.db2.gz DIIRRCXYPSXDGG-PXNSSMCTSA-N 1 0 376.501 1.555 40 0 GDABRO CN1CC[NH+](C[C@@H]2CO[C@]3(C2)CCCN(C(=O)CCc2cccnc2)C3)CC1 ZINC000096228451 208291766 /nfs/dbraw/zinc/29/17/66/208291766.db2.gz QMFGZJVOXSKFQX-IRLDBZIGSA-N 1 0 386.540 1.659 40 0 GDABRO COC(=O)CCC(=O)N1C[C@@H]2C[NH+](C3CCN(Cc4ccccc4)CC3)C[C@H]2C1 ZINC000096245446 208296784 /nfs/dbraw/zinc/29/67/84/208296784.db2.gz ZKCAJNYXGUSRDA-PMACEKPBSA-N 1 0 399.535 1.994 40 0 GDABRO CN1CC[C@@]2(CN(c3ncccn3)CC23CC[NH+](Cc2ccccn2)CC3)C1=O ZINC000097952866 208364110 /nfs/dbraw/zinc/36/41/10/208364110.db2.gz WJJUBSPVPOWSAJ-JOCHJYFZSA-N 1 0 392.507 1.823 40 0 GDABRO Cc1ccc2cc(CN(CCO)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2c1 ZINC000004131627 208536972 /nfs/dbraw/zinc/53/69/72/208536972.db2.gz RLOXQLCQOLJDQD-UHFFFAOYSA-N 1 0 376.526 1.457 40 0 GDABRO COc1cccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@@H]3C2)c1 ZINC000306128236 209098978 /nfs/dbraw/zinc/09/89/78/209098978.db2.gz GUYFRWJHNIBQJL-HOTGVXAUSA-N 1 0 381.480 1.873 40 0 GDABRO COc1cccc(NC(=O)[C@H]2C[N@H+](C)CC3(CCN(C(=O)C4CC4)CC3)O2)c1 ZINC000306124239 209098025 /nfs/dbraw/zinc/09/80/25/209098025.db2.gz BKIPGMRLJBXWJF-GOSISDBHSA-N 1 0 387.480 1.736 40 0 GDABRO CS(=O)(=O)NC[C@H]1CC[C@]2(COCC[N@H+](Cc3cccc4[nH]ccc43)C2)O1 ZINC000306125609 209096901 /nfs/dbraw/zinc/09/69/01/209096901.db2.gz CVOJLGYRACEUTO-APWZRJJASA-N 1 0 393.509 1.467 40 0 GDABRO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccncc3)C[C@@H]1C2 ZINC000306127586 209096826 /nfs/dbraw/zinc/09/68/26/209096826.db2.gz GCXMDUXXGYQLEY-OALUTQOASA-N 1 0 388.475 1.907 40 0 GDABRO CNC(=O)c1sc2nc([C@@H]3CCCCN3C(=O)C[NH+](C)C)ccc2c1N ZINC000257256899 209062386 /nfs/dbraw/zinc/06/23/86/209062386.db2.gz KNIOZNADBIBQGD-ZDUSSCGKSA-N 1 0 375.498 1.853 40 0 GDABRO [NH3+]Cc1ccc(C(=O)NC[C@@]2(O)CCCN(c3ccnc4cccnc43)C2)cc1 ZINC000257277535 209066338 /nfs/dbraw/zinc/06/63/38/209066338.db2.gz NYHPURZXRVTPQV-QFIPXVFZSA-N 1 0 391.475 1.850 40 0 GDABRO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCCC1)c1ccccn1 ZINC000257277210 209067618 /nfs/dbraw/zinc/06/76/18/209067618.db2.gz NWWPNITUAJIHQV-ZRNYENFQSA-N 1 0 385.439 1.996 40 0 GDABRO Cc1ncoc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCCC1 ZINC000257321369 209075148 /nfs/dbraw/zinc/07/51/48/209075148.db2.gz WBJOHOUUWIXDIG-BDXSIMOUSA-N 1 0 389.427 1.897 40 0 GDABRO O=C(C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCCCC3)[C@@H](O)[C@H]2O1)N1CCC(F)(F)C1 ZINC000225518732 560042234 /nfs/dbraw/zinc/04/22/34/560042234.db2.gz SJMFKUBKULHFEY-GRLWTPEZSA-N 1 0 388.455 1.452 40 0 biogenic,in-vitro GDABRO COCC(=O)N1Cc2c(ncn2Cc2ccc(Cl)cc2)C[C@H]1C(=O)OC ZINC000015676476 560095627 /nfs/dbraw/zinc/09/56/27/560095627.db2.gz VUGDXRZDCVSVCX-HNNXBMFYSA-N 1 0 377.828 1.658 40 0 biogenic,in-vitro GDABRO CCN(CC)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)[C@@H]1O ZINC000012483562 560212297 /nfs/dbraw/zinc/21/22/97/560212297.db2.gz CWBCNVWFAOXZFQ-OVYGPGRDSA-N 1 0 390.402 1.870 40 0 biogenic,in-vitro GDABRO C[NH+](C)CCCNc1nc(NC(=O)c2ccc(N)cc2)cc(C(F)(F)F)n1 ZINC000329000126 570211482 /nfs/dbraw/zinc/21/14/82/570211482.db2.gz JZYSSEZSMRZSIR-UHFFFAOYSA-N 1 0 382.390 1.537 40 0 GDABRO CCOCCOc1ccc(C[N@@H+]2CC[C@@](O)(CN3CCN(C)CC3)C2)cc1 ZINC000585269903 570238682 /nfs/dbraw/zinc/23/86/82/570238682.db2.gz PNRXCYKTVPRPMI-OAQYLSRUSA-N 1 0 377.529 1.286 40 0 GDABRO COc1cccc(C[NH2+]C[C@@]2(O)CN(C(=O)Cc3ccccc3)CC[C@@H]2O)c1 ZINC000585282979 570250805 /nfs/dbraw/zinc/25/08/05/570250805.db2.gz ACLGHSTYFSAXSA-RBBKRZOGSA-N 1 0 384.476 1.352 40 0 GDABRO O=C(CCc1ccccc1)N1CC[C@](O)(C[NH2+]Cc2ccc(F)cc2)[C@@H](O)C1 ZINC000585284245 570253301 /nfs/dbraw/zinc/25/33/01/570253301.db2.gz JATMTBNQJDJUBP-UNMCSNQZSA-N 1 0 386.467 1.872 40 0 GDABRO O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCc2ccccn2)C1 ZINC000585290611 570259030 /nfs/dbraw/zinc/25/90/30/570259030.db2.gz DOZLAKHQCCFQQY-QUCCMNQESA-N 1 0 389.883 1.044 40 0 GDABRO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000585290603 570259063 /nfs/dbraw/zinc/25/90/63/570259063.db2.gz DHHIEYXUUGBCDU-MSOLQXFVSA-N 1 0 396.896 1.226 40 0 GDABRO O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(C[NH2+]Cc2cccnc2)C1 ZINC000585291230 570259851 /nfs/dbraw/zinc/25/98/51/570259851.db2.gz LZELJRKOWRIAGL-MJGOQNOKSA-N 1 0 375.856 1.002 40 0 GDABRO C[NH+]1CCC(N2CC3(C2)CN(C(=O)Nc2ccccc2)C[C@@H]2COCCN23)CC1 ZINC000604381731 570352818 /nfs/dbraw/zinc/35/28/18/570352818.db2.gz LTPZSXSFMZTJRK-HXUWFJFHSA-N 1 0 399.539 1.384 40 0 biogenic,in-vitro GDABRO Cc1cccc2c1[C@@H](NC1=CC(C(=O)N(C)CCO)=CN3C[C@@H](C)[NH+]=C13)CCO2 ZINC000521205780 570440031 /nfs/dbraw/zinc/44/00/31/570440031.db2.gz RMKJHJRLZXGKEN-WBVHZDCISA-N 1 0 396.491 1.743 40 0 GDABRO COCCOc1cc(C[NH2+]C[C@]2(O)CCN(c3ccccn3)C2)ccc1OC ZINC000257249418 570488111 /nfs/dbraw/zinc/48/81/11/570488111.db2.gz JIGWVYGLYHEKHB-OAQYLSRUSA-N 1 0 387.480 1.846 40 0 GDABRO C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[NH+]1CCCC1 ZINC000224997564 570542043 /nfs/dbraw/zinc/54/20/43/570542043.db2.gz GQIPIBGIUDCHEY-HNNXBMFYSA-N 1 0 383.514 1.452 40 0 GDABRO C[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000012185831 570620436 /nfs/dbraw/zinc/62/04/36/570620436.db2.gz CBZKODMHABGVMV-AWEZNQCLSA-N 1 0 383.448 1.989 40 0 GDABRO Cc1nc(N2CCOCC2)sc1C(=O)NCC1([NH+](C)C)CCN(C)CC1 ZINC000012192269 570622107 /nfs/dbraw/zinc/62/21/07/570622107.db2.gz WIQAJHGLCMHYEI-UHFFFAOYSA-N 1 0 381.546 1.044 40 0 GDABRO CC1CC[NH+](CC(=O)NCCN2CCC(O)(c3ccc(F)cc3)CC2)CC1 ZINC000012290946 570632892 /nfs/dbraw/zinc/63/28/92/570632892.db2.gz BJUJFASFKADWTR-UHFFFAOYSA-N 1 0 377.504 1.957 40 0 GDABRO C[C@H]1CCC[N@H+](CCCNC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)C1 ZINC000260760824 570703500 /nfs/dbraw/zinc/70/35/00/570703500.db2.gz ARJYUXKICVEDEQ-INIZCTEOSA-N 1 0 397.541 1.699 40 0 GDABRO COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCC[NH+](C)C ZINC000010111481 570781998 /nfs/dbraw/zinc/78/19/98/570781998.db2.gz QOGRAZFPLQDXDV-UHFFFAOYSA-N 1 0 383.514 1.551 40 0 GDABRO CCOc1ccc(NC2=N[C@@]3(NC(=[NH2+])N2)c2ccccc2N(CC)C3=O)cc1 ZINC000019332724 570925315 /nfs/dbraw/zinc/92/53/15/570925315.db2.gz PWXNQBXREPYXKP-FQEVSTJZSA-N 1 0 378.436 1.991 40 0 GDABRO O=S(=O)(c1ccccc1)N1CCC2(CO[C@@H](C[N@H+]3CCC[C@@H](O)C3)C2)CC1 ZINC000585104262 570933214 /nfs/dbraw/zinc/93/32/14/570933214.db2.gz OWLXNXXDBHVGMK-QZTJIDSGSA-N 1 0 394.537 1.703 40 0 GDABRO CN1CC[NH+](CCC(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)CC1 ZINC000585112522 570943172 /nfs/dbraw/zinc/94/31/72/570943172.db2.gz QVAADUKXIWWSAL-FQEVSTJZSA-N 1 0 397.523 1.299 40 0 GDABRO C[NH+](C)CCNc1nc(NC(=O)c2ccc(N)cc2)cc(-c2ccccc2)n1 ZINC000328964137 571047559 /nfs/dbraw/zinc/04/75/59/571047559.db2.gz BTKGMPDXFPWPAO-UHFFFAOYSA-N 1 0 376.464 1.795 40 0 GDABRO O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@]21CC[N@H+](Cc2cccs2)C1 ZINC000306142499 209108438 /nfs/dbraw/zinc/10/84/38/209108438.db2.gz XAUOJCQSFIIQOR-FQEVSTJZSA-N 1 0 395.488 1.457 40 0 GDABRO C[NH+]1CCN(CCNc2cc(-c3cccnc3)nc(NC3CCCC3)n2)CC1 ZINC000328981254 206238791 /nfs/dbraw/zinc/23/87/91/206238791.db2.gz GTQVEKCXVQCWBQ-UHFFFAOYSA-N 1 0 381.528 1.396 40 0 GDABRO Cc1ccc2c(c1)CN(S(C)(=O)=O)CC1(CCN(C(=O)CCC[NH3+])CC1)O2 ZINC000019219512 207107066 /nfs/dbraw/zinc/10/70/66/207107066.db2.gz VERKTQIYEIPIBH-UHFFFAOYSA-N 1 0 395.525 1.249 40 0 GDABRO Cc1ccc(S(=O)(=O)N2CC[C@H](c3ncc4c(n3)CC[NH2+]C4)C2)cc1F ZINC000019214503 207107615 /nfs/dbraw/zinc/10/76/15/207107615.db2.gz RAANMOFMLDGBII-ZDUSSCGKSA-N 1 0 376.457 1.748 40 0 GDABRO c1cc(Cn2nnnc2CN2CC[NH+](C3CCCCC3)CC2)cc2c1OCO2 ZINC000019346037 207116591 /nfs/dbraw/zinc/11/65/91/207116591.db2.gz YNTIMNRUQISBRM-UHFFFAOYSA-N 1 0 384.484 1.900 40 0 GDABRO CC1CC[NH+](CCNC(=O)CNS(=O)(=O)c2cccc3cccnc32)CC1 ZINC000019496906 207125967 /nfs/dbraw/zinc/12/59/67/207125967.db2.gz GSBAVSKHHVNMAA-UHFFFAOYSA-N 1 0 390.509 1.361 40 0 GDABRO CCn1cc(S(=O)(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[NH2+]C3)c(C)n1 ZINC000019524656 207127926 /nfs/dbraw/zinc/12/79/26/207127926.db2.gz ZDLNLDAQYIUMGT-INIZCTEOSA-N 1 0 390.513 1.563 40 0 GDABRO CC(C)c1cc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)nn1[C@H]1CCS(=O)(=O)C1 ZINC000019452641 207122616 /nfs/dbraw/zinc/12/26/16/207122616.db2.gz HHFXZIRXRVXYJT-CVEARBPZSA-N 1 0 396.557 1.922 40 0 GDABRO C[N@@H+]1CCc2nc(C3CCN(C(=O)C[C@H]4CC(C)(C)OC4=O)CC3)ncc2C1 ZINC000019460904 207123002 /nfs/dbraw/zinc/12/30/02/207123002.db2.gz LDARXASYRHJCFZ-HNNXBMFYSA-N 1 0 386.496 1.902 40 0 GDABRO COc1ccccc1CC(=O)N1CC[C@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019569452 207135914 /nfs/dbraw/zinc/13/59/14/207135914.db2.gz OJSVPHIGSYRXCL-HNNXBMFYSA-N 1 0 380.452 1.352 40 0 GDABRO COc1ccc(S(=O)(=O)N2CC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)cc1 ZINC000019590653 207141522 /nfs/dbraw/zinc/14/15/22/207141522.db2.gz CXMZKLQWELSRPI-AWEZNQCLSA-N 1 0 388.493 1.651 40 0 GDABRO C[N@@H+]1CCCN(CC(=O)N2C[C@@H](c3ccccc3)[C@H](c3csnn3)C2)CC1 ZINC000019589198 207141904 /nfs/dbraw/zinc/14/19/04/207141904.db2.gz ONUINDAJAKOVQM-ZWKOTPCHSA-N 1 0 385.537 1.885 40 0 GDABRO C[NH+](C)C1(CNC(=O)[C@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)CCCC1 ZINC000019748016 207157351 /nfs/dbraw/zinc/15/73/51/207157351.db2.gz JUOKIKGSLJBCHU-HNNXBMFYSA-N 1 0 397.516 1.827 40 0 GDABRO Cc1ncc(C(=O)N2CCC([C@@H]3CCCC[N@H+]3CC(=O)N(C)C)CC2)c(C)n1 ZINC000019746405 207157573 /nfs/dbraw/zinc/15/75/73/207157573.db2.gz JKEFTJUMYYRHJL-IBGZPJMESA-N 1 0 387.528 1.888 40 0 GDABRO C[NH+](C)CCNC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O ZINC000020450472 207192657 /nfs/dbraw/zinc/19/26/57/207192657.db2.gz ZDEBCFMLDKGXNB-UHFFFAOYSA-N 1 0 377.441 1.679 40 0 GDABRO CCOc1ccc(NC(=O)C[C@@H]2N=C(NC(=[NH2+])Nc3ccccc3)NC2=O)cc1 ZINC000020798986 207214913 /nfs/dbraw/zinc/21/49/13/207214913.db2.gz GRDDOMXBJGWBTG-INIZCTEOSA-N 1 0 394.435 1.905 40 0 GDABRO CS(=O)(=O)N1CCC(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000022135882 207247656 /nfs/dbraw/zinc/24/76/56/207247656.db2.gz QMAALTPSAZJUGA-UHFFFAOYSA-N 1 0 379.526 1.570 40 0 GDABRO COc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)nc(OC)n1 ZINC000022888251 207263228 /nfs/dbraw/zinc/26/32/28/207263228.db2.gz XVKATACPVXRRHF-SFHVURJKSA-N 1 0 399.495 1.521 40 0 GDABRO CC1CC[NH+](CCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)CC1 ZINC000030868374 207377181 /nfs/dbraw/zinc/37/71/81/207377181.db2.gz NQMVMNLIOJNROT-GOSISDBHSA-N 1 0 395.525 1.452 40 0 GDABRO CC(C)CCN1[C@@]2(CCN(C(=O)C[NH+](C)C)C2)c2ccccc2S1(=O)=O ZINC000096143243 208271356 /nfs/dbraw/zinc/27/13/56/208271356.db2.gz PUXWQZBLIBBXBI-LJQANCHMSA-N 1 0 379.526 1.726 40 0 GDABRO COc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@H](CN4CCOCC4)O3)C2)cc1 ZINC000096052364 208256583 /nfs/dbraw/zinc/25/65/83/208256583.db2.gz GTCHLPUGLZBBJY-NHCUHLMSSA-N 1 0 376.497 1.777 40 0 GDABRO Cn1cc(-c2cnc3n2CCN(C)C32CC[NH+](CC3CCOCC3)CC2)cn1 ZINC000096036957 208256941 /nfs/dbraw/zinc/25/69/41/208256941.db2.gz VUSUOAUJNSGDJQ-UHFFFAOYSA-N 1 0 384.528 1.947 40 0 GDABRO COCC[N@@H+]1CC2(CCN(C(=O)c3ccc(C)cc3)CC2)[C@@]2(CCNC2=O)C1 ZINC000096262723 208298410 /nfs/dbraw/zinc/29/84/10/208298410.db2.gz SQLBVZZFXIOECD-QFIPXVFZSA-N 1 0 385.508 1.686 40 0 GDABRO CC1CC[NH+](CCCNC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)CC1 ZINC000223951614 208914158 /nfs/dbraw/zinc/91/41/58/208914158.db2.gz UVXIMBJYRJADNF-GOSISDBHSA-N 1 0 381.542 1.857 40 0 GDABRO CC1CC[NH+](CCCNC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)CC1 ZINC000223951679 208915026 /nfs/dbraw/zinc/91/50/26/208915026.db2.gz UVXIMBJYRJADNF-SFHVURJKSA-N 1 0 381.542 1.857 40 0 GDABRO C[NH+](C)CCN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)NC3CC3)CCO2)C1=O ZINC000306128445 209099788 /nfs/dbraw/zinc/09/97/88/209099788.db2.gz HAJWPXMPADZNPG-WIYYLYMNSA-N 1 0 386.496 1.117 40 0 GDABRO COc1cc(C)ccc1S(=O)(=O)N1Cc2ccnn2C[C@H](C[NH+](C)C)C1 ZINC000248121846 209030332 /nfs/dbraw/zinc/03/03/32/209030332.db2.gz NGBLFBPKTUYVST-OAHLLOKOSA-N 1 0 378.498 1.582 40 0 GDABRO O=S(=O)(NC[C@@H]1CO[C@@H]2C[N@H+](Cc3cccc4[nH]ccc43)C[C@H]12)C1CC1 ZINC000245482644 209027247 /nfs/dbraw/zinc/02/72/47/209027247.db2.gz XIPCNTOEMIPSGU-LSBZLQRGSA-N 1 0 375.494 1.697 40 0 GDABRO C[N@H+](Cc1ccc(F)cc1)C[C@]1(O)CCCN(S(=O)(=O)c2cn[nH]c2)CC1 ZINC000257213116 209058205 /nfs/dbraw/zinc/05/82/05/209058205.db2.gz CGFKISBRLUWWFN-SFHVURJKSA-N 1 0 396.488 1.587 40 0 GDABRO CCN1C(=O)C[C@@H](C(=O)N(C)CC[NH+](C)C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000257257023 209060949 /nfs/dbraw/zinc/06/09/49/209060949.db2.gz KNUNVCKEYZBRMK-BEFAXECRSA-N 1 0 377.485 1.633 40 0 GDABRO O=C1CO[C@@]2(CN1c1ccc(F)cc1)COCC[N@H+](CC1CCOCC1)C2 ZINC000096051321 136183457 /nfs/dbraw/zinc/18/34/57/136183457.db2.gz DMXYTNVYUGQZOY-FQEVSTJZSA-N 1 0 378.444 1.687 40 0 GDABRO O=C(c1ccccc1Cl)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224318100 136206685 /nfs/dbraw/zinc/20/66/85/136206685.db2.gz NLMIGFUOPUOLTG-UHFFFAOYSA-N 1 0 387.871 1.929 40 0 GDABRO C[N@@H+]1CC[C@@H](c2nn(CCNC(=O)Cc3ccccc3F)c3nccnc23)C1 ZINC000072391665 222248365 /nfs/dbraw/zinc/24/83/65/222248365.db2.gz QYLJFSXGRDHENT-OAHLLOKOSA-N 1 0 382.443 1.743 40 0 GDABRO O=C(c1cccnc1)N1CC2(C1)C[N@@H+](Cc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514289259 560033193 /nfs/dbraw/zinc/03/31/93/560033193.db2.gz KLXALYJRUNEBFW-VQTJNVASSA-N 1 0 378.476 1.227 40 0 biogenic,in-vitro GDABRO C[NH+]1CCC(N2CCC(O)(c3csc(CN4CCOCC4)n3)CC2)CC1 ZINC000225423810 560043000 /nfs/dbraw/zinc/04/30/00/560043000.db2.gz GMBLCVSSDPYAFF-UHFFFAOYSA-N 1 0 380.558 1.353 40 0 biogenic,in-vitro GDABRO Cc1nc(/C=C/C(=O)N(C)[C@@H]2CCCC[C@@H]([NH+]3CCOCC3)[C@@H]2O)cs1 ZINC000585289440 570257257 /nfs/dbraw/zinc/25/72/57/570257257.db2.gz GJOAVQRCINKDHN-JLAAOLFFSA-N 1 0 379.526 1.927 40 0 GDABRO CCOC(=O)C1=C(O)NC(N2CCN(CC)CC2)=[NH+][C@H]1c1cccc(Cl)c1 ZINC000020801610 570281631 /nfs/dbraw/zinc/28/16/31/570281631.db2.gz HYNYRLSWKVYECI-CVEARBPZSA-N 1 0 392.887 1.684 40 0 GDABRO O=C(c1ccccc1F)N1C[C@@H]2COCCN2C2(C[NH+](C3CCOCC3)C2)C1 ZINC000604381993 570353158 /nfs/dbraw/zinc/35/31/58/570353158.db2.gz YAZBNTUZGOLCBM-QGZVFWFLSA-N 1 0 389.471 1.216 40 0 biogenic,in-vitro GDABRO CN(C)c1cc(N2CC[C@](O)(C[NH2+]Cc3ccc(OCCF)cc3)C2)ncn1 ZINC000257344439 570488835 /nfs/dbraw/zinc/48/88/35/570488835.db2.gz ZXEZTXDWJOZDOF-FQEVSTJZSA-N 1 0 389.475 1.622 40 0 GDABRO COc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225200968 570555831 /nfs/dbraw/zinc/55/58/31/570555831.db2.gz CLBFXDHTPYTCHK-MRXNPFEDSA-N 1 0 397.541 1.554 40 0 GDABRO C[NH+](C)CCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 ZINC000225744882 570612367 /nfs/dbraw/zinc/61/23/67/570612367.db2.gz PZTPAXNAMNNDJH-UHFFFAOYSA-N 1 0 391.518 1.951 40 0 GDABRO Cc1nn2cccnc2c1C(=O)NCC[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC000012326236 570643263 /nfs/dbraw/zinc/64/32/63/570643263.db2.gz QJYOBKDIQHLHDY-UHFFFAOYSA-N 1 0 397.454 1.890 40 0 GDABRO COc1ccccc1N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c1ccccc1 ZINC000010111534 570781869 /nfs/dbraw/zinc/78/18/69/570781869.db2.gz ZOAOHGZSZWYURH-UHFFFAOYSA-N 1 0 391.493 1.568 40 0 GDABRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CC(=O)N(Cc3cncs3)C2)C1 ZINC000585103867 570929752 /nfs/dbraw/zinc/92/97/52/570929752.db2.gz UUJOZTMMPIRXJY-GOSISDBHSA-N 1 0 376.482 1.999 40 0 GDABRO CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000193050429 570934650 /nfs/dbraw/zinc/93/46/50/570934650.db2.gz KHKGMDGNLJOJMN-GOSISDBHSA-N 1 0 379.526 1.570 40 0 GDABRO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2c(C)noc2C)CC1 ZINC000585106109 570935900 /nfs/dbraw/zinc/93/59/00/570935900.db2.gz MTTUZDDEMOBVCY-XYPHTWIQSA-N 1 0 388.512 1.990 40 0 GDABRO CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1CN(C(=O)Cc1nc(C)no1)CCC2 ZINC000585108098 570940080 /nfs/dbraw/zinc/94/00/80/570940080.db2.gz YKJYHCFDSFTBTF-KXBFYZLASA-N 1 0 378.473 1.433 40 0 GDABRO C[NH+](C)CCCNC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000408704026 231098931 /nfs/dbraw/zinc/09/89/31/231098931.db2.gz IPADLCISEDHQQR-UHFFFAOYSA-N 1 0 385.486 1.029 40 0 GDABRO CSc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CCCC1 ZINC000026115592 530584181 /nfs/dbraw/zinc/58/41/81/530584181.db2.gz ASFVUHSMUSAGGB-UHFFFAOYSA-N 1 0 385.555 1.875 40 0 GDABRO C[NH+]1CCN(CCCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)CC1 ZINC000216385783 531027351 /nfs/dbraw/zinc/02/73/51/531027351.db2.gz CTDRGZZLGSSOEF-UHFFFAOYSA-N 1 0 388.921 1.079 40 0 GDABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@H]1S(C)(=O)=O ZINC000242548678 531055560 /nfs/dbraw/zinc/05/55/60/531055560.db2.gz LTFPHXCXOHEUNL-OUCADQQQSA-N 1 0 376.272 1.468 40 0 GDABRO C[NH+](C)CCNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2cccnc2)n1 ZINC000329013036 206241014 /nfs/dbraw/zinc/24/10/14/206241014.db2.gz MMPDAIUWWMYDGH-UHFFFAOYSA-N 1 0 378.436 1.828 40 0 GDABRO O=C1c2ccccc2C(=O)N1CNCCC[NH2+]CN1C(=O)c2ccccc2C1=O ZINC000001727238 206389977 /nfs/dbraw/zinc/38/99/77/206389977.db2.gz OBGCZSAKQPSAFK-UHFFFAOYSA-N 1 0 392.415 1.063 40 0 GDABRO COc1ccccc1N(CC(=O)NCCC[NH+]1CCC(C)CC1)S(C)(=O)=O ZINC000013668009 206987887 /nfs/dbraw/zinc/98/78/87/206987887.db2.gz IIWSZWKPCIFTIN-UHFFFAOYSA-N 1 0 397.541 1.699 40 0 GDABRO COc1c(C)cccc1C(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21 ZINC000019235881 207109809 /nfs/dbraw/zinc/10/98/09/207109809.db2.gz YPMXQWWQKRMDFD-AWEZNQCLSA-N 1 0 380.452 1.650 40 0 GDABRO CC(C)(C)N1C[C@@H](C(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)CC1=O ZINC000019082838 207103352 /nfs/dbraw/zinc/10/33/52/207103352.db2.gz TWDHHDJXAFPPRT-GJZGRUSLSA-N 1 0 385.512 1.475 40 0 GDABRO Cc1ccn(CCC(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)n1 ZINC000019238070 207111134 /nfs/dbraw/zinc/11/11/34/207111134.db2.gz RMLSUFWYOLVRBC-HNNXBMFYSA-N 1 0 384.484 1.059 40 0 GDABRO CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC000019496871 207125489 /nfs/dbraw/zinc/12/54/89/207125489.db2.gz REFHQUUEVHXTHE-IBGZPJMESA-N 1 0 385.512 1.777 40 0 GDABRO COc1cccc(OC)c1OCC(=O)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019568214 207137133 /nfs/dbraw/zinc/13/71/33/207137133.db2.gz YYRSWODAYJMXHR-INIZCTEOSA-N 1 0 398.463 1.882 40 0 GDABRO C[NH+](C)CCn1nc([C@H]2CCN(S(=O)(=O)N3CCCC3)C2)c2cccnc21 ZINC000019583302 207139838 /nfs/dbraw/zinc/13/98/38/207139838.db2.gz LULGAUPPWCUWCR-HNNXBMFYSA-N 1 0 392.529 1.123 40 0 GDABRO NC(=O)c1cc2c(nc1N)CCN(C(=O)[C@H](c1ccccc1)[NH+]1CCCCC1)C2 ZINC000019701093 207150074 /nfs/dbraw/zinc/15/00/74/207150074.db2.gz SCICHVIPWUGZNF-IBGZPJMESA-N 1 0 393.491 1.875 40 0 GDABRO C[NH+]1CCC2(CC1)CN(CC(=O)NC[C@H]1CCCO1)C(=O)c1ccccc1O2 ZINC000019588397 207140518 /nfs/dbraw/zinc/14/05/18/207140518.db2.gz BECVVTIOMKXCDF-MRXNPFEDSA-N 1 0 387.480 1.281 40 0 GDABRO C[N@@H+]1CCc2nc([C@H]3CCN(C(=O)Cn4cnc5ccccc54)C3)ncc2C1 ZINC000019590625 207141701 /nfs/dbraw/zinc/14/17/01/207141701.db2.gz JZNINTLIVPQHGL-HNNXBMFYSA-N 1 0 376.464 1.830 40 0 GDABRO C[N@@H+]1CCc2nc([C@@H]3CCN(C(=O)c4n[nH]c(=O)c5ccccc54)C3)ncc2C1 ZINC000019590630 207142472 /nfs/dbraw/zinc/14/24/72/207142472.db2.gz AFEDIJNITHUQAE-CYBMUJFWSA-N 1 0 390.447 1.331 40 0 GDABRO COc1ccccc1N1CCN(C(=O)C[N@@H+]2CCC[C@H]2Cn2cccn2)CC1 ZINC000019658061 207145949 /nfs/dbraw/zinc/14/59/49/207145949.db2.gz CKACUAVYJIFTFX-SFHVURJKSA-N 1 0 383.496 1.705 40 0 GDABRO CNc1nc(C2CCN(C(=O)Cc3csc(C)n3)CC2)nc2c1CC[NH2+]C2 ZINC000019711526 207152040 /nfs/dbraw/zinc/15/20/40/207152040.db2.gz VWNPPTRQJQPRQS-UHFFFAOYSA-N 1 0 386.525 1.878 40 0 GDABRO C[C@@H](C(=O)NC(C)(C)C[NH+]1CCCCC1)N1C(=O)c2ccccc2S1(=O)=O ZINC000019717704 207153544 /nfs/dbraw/zinc/15/35/44/207153544.db2.gz NLDRGJUDDRZCAN-AWEZNQCLSA-N 1 0 393.509 1.600 40 0 GDABRO Cc1cc(NC(=O)Cn2cc(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)ccc2=O)no1 ZINC000019749210 207159110 /nfs/dbraw/zinc/15/91/10/207159110.db2.gz GRKWOAPSPFQDTC-INIZCTEOSA-N 1 0 399.451 1.094 40 0 GDABRO CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CC[NH+](Cc2ccccn2)CC3)C1=O ZINC000096036583 208252965 /nfs/dbraw/zinc/25/29/65/208252965.db2.gz WKTHJQURNZDSBS-JOCHJYFZSA-N 1 0 399.539 1.900 40 0 GDABRO O=C([C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccncc3)CC2)O1)N1CCCC1 ZINC000096036834 208256363 /nfs/dbraw/zinc/25/63/63/208256363.db2.gz SAKBJTRCGLVJHZ-SFHVURJKSA-N 1 0 381.480 1.791 40 0 GDABRO O=C(NCCc1ccccn1)c1cn2c(nc1=O)[C@@]1(CC2)CC[N@H+](CC2CC2)C1 ZINC000306130475 209100151 /nfs/dbraw/zinc/10/01/51/209100151.db2.gz JHPJVYZUUPAADP-JOCHJYFZSA-N 1 0 393.491 1.368 40 0 GDABRO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3nccs3)C[C@@H]1C2 ZINC000306128524 209099857 /nfs/dbraw/zinc/09/98/57/209099857.db2.gz HCXHGHSIEDVILX-JKSUJKDBSA-N 1 0 394.504 1.969 40 0 GDABRO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccncc3)C[C@@H]1C2 ZINC000306127587 209097566 /nfs/dbraw/zinc/09/75/66/209097566.db2.gz GCXMDUXXGYQLEY-RBUKOAKNSA-N 1 0 388.475 1.907 40 0 GDABRO O=c1c(=O)n(CC2CCC2)nc2n1C[C@@H]1C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000306125542 209097993 /nfs/dbraw/zinc/09/79/93/209097993.db2.gz CTMWLSVMVBTZOQ-JKSUJKDBSA-N 1 0 396.447 1.163 40 0 GDABRO Cn1cc(C[NH2+]C[C@H]2Cn3c(-c4ccc5c(c4)OCCO5)cnc3CO2)cn1 ZINC000096296440 209014494 /nfs/dbraw/zinc/01/44/94/209014494.db2.gz OUKUUGGOGKRIAA-INIZCTEOSA-N 1 0 381.436 1.743 40 0 biogenic,in-vitro GDABRO Cc1ccn(CCC(=O)N2CC[C@@H](O)[C@H]3[C@H](c4ccccc4)C[N@@H+](C)[C@@H]3C2)n1 ZINC000257298424 209071031 /nfs/dbraw/zinc/07/10/31/209071031.db2.gz RLNLYJYWJGOXQZ-HIUFNZKISA-N 1 0 382.508 1.889 40 0 GDABRO O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@](O)(C[NH+]2CCOCC2)CC1 ZINC000257304256 209072181 /nfs/dbraw/zinc/07/21/81/209072181.db2.gz SKTULRDXCHYTQG-HXUWFJFHSA-N 1 0 375.444 1.996 40 0 GDABRO CNc1nc([C@H]2CC[NH2+]C2)nc2c1CCN(CC(=O)Nc1ccccc1F)C2 ZINC000257331978 209077399 /nfs/dbraw/zinc/07/73/99/209077399.db2.gz XVESAALBNSIBJW-ZDUSSCGKSA-N 1 0 384.459 1.731 40 0 GDABRO COc1ccc(C(=O)NCCn2nc([C@@H]3CC[N@H+](C)C3)c3cccnc32)cn1 ZINC000072391601 222247942 /nfs/dbraw/zinc/24/79/42/222247942.db2.gz PMIKVNFTAQUVLJ-OAHLLOKOSA-N 1 0 380.452 1.684 40 0 GDABRO O=C1N[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccccc2)Nc2c1cnn2C1CCOCC1 ZINC000169747724 534793380 /nfs/dbraw/zinc/79/33/80/534793380.db2.gz PQYURWIRBUDGPO-ZCNNSNEGSA-N 1 0 395.507 1.992 40 0 GDABRO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCCC3)C2)C(=O)N1Cc1ccccc1F ZINC000225390186 560043779 /nfs/dbraw/zinc/04/37/79/560043779.db2.gz OTYPLBWCZUBTRD-AEFFLSMTSA-N 1 0 387.455 1.127 40 0 biogenic,in-vitro GDABRO COCCC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](C2CCN(C)CC2)C1 ZINC000004259199 560197959 /nfs/dbraw/zinc/19/79/59/560197959.db2.gz ISOXUOLHWMCRFT-JKSUJKDBSA-N 1 0 388.512 1.337 40 0 biogenic,in-vitro GDABRO O[C@H]1C[N@H+](Cc2cccc(CN3CCOCC3)c2)C[C@@H]1N1CCC(F)(F)CC1 ZINC000585271247 570239730 /nfs/dbraw/zinc/23/97/30/570239730.db2.gz DQUDKWDVWIZQLC-PMACEKPBSA-N 1 0 395.494 1.795 40 0 GDABRO CC(=O)N1CCC([N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585282387 570250163 /nfs/dbraw/zinc/25/01/63/570250163.db2.gz IXXKYPLXCXSYHK-OALUTQOASA-N 1 0 384.423 1.152 40 0 GDABRO Cc1ccccc1CC[NH2+]C[C@@]1(O)CN(C(=O)Cc2ccccc2)CC[C@@H]1O ZINC000585283865 570251715 /nfs/dbraw/zinc/25/17/15/570251715.db2.gz ILEVFKKEYUIVOP-JTHBVZDNSA-N 1 0 382.504 1.694 40 0 GDABRO O=C(Cc1ccccc1)N1CC[C@H](O)[C@@](O)(C[N@H+](CCO)Cc2ccccc2)C1 ZINC000585284321 570253333 /nfs/dbraw/zinc/25/33/33/570253333.db2.gz JRNIRFIYQRTUMT-JTHBVZDNSA-N 1 0 398.503 1.048 40 0 GDABRO COc1ccccc1C[N@H+](C)C[C@@]1(O)CN(C(=O)c2ccccc2)CC[C@@H]1O ZINC000585285203 570254445 /nfs/dbraw/zinc/25/44/45/570254445.db2.gz PFIPWOZBBSPJBH-RBBKRZOGSA-N 1 0 384.476 1.765 40 0 GDABRO Cc1ccc(N2CCC(O)(C[N@@H+]3CCO[C@](C)(C(=O)N(C)C)C3)CC2)cc1 ZINC000585285464 570254742 /nfs/dbraw/zinc/25/47/42/570254742.db2.gz YNIGSRGBJBGQHV-FQEVSTJZSA-N 1 0 375.513 1.505 40 0 GDABRO COc1cccc(C[NH2+]C[C@@]2(O)CN(C(=O)CCc3ccccc3)CC[C@@H]2O)c1 ZINC000585286223 570255530 /nfs/dbraw/zinc/25/55/30/570255530.db2.gz XSIPGNNGQRUDCC-JTHBVZDNSA-N 1 0 398.503 1.742 40 0 GDABRO CCN1CCN(C(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)CC1 ZINC000113965779 570337411 /nfs/dbraw/zinc/33/74/11/570337411.db2.gz CGJHCUVVEROJKQ-UHFFFAOYSA-N 1 0 389.468 1.675 40 0 GDABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCC[NH2+]CCO)o2)c1 ZINC000038246088 570414669 /nfs/dbraw/zinc/41/46/69/570414669.db2.gz YNDSVSOWLBQQQC-UHFFFAOYSA-N 1 0 376.409 1.191 40 0 GDABRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3C[NH+]4CCC3CC4)CC2)cc1 ZINC000035315265 570469554 /nfs/dbraw/zinc/46/95/54/570469554.db2.gz KLOIOAJXTOIRLS-IBGZPJMESA-N 1 0 391.537 1.606 40 0 GDABRO O=C(NC1CC[NH+](Cc2cccc(F)c2)CC1)c1cnc(N2CCOCC2)nc1 ZINC000012201683 570624572 /nfs/dbraw/zinc/62/45/72/570624572.db2.gz MIHMSOAERVNHKS-UHFFFAOYSA-N 1 0 399.470 1.847 40 0 GDABRO COc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260759638 570703358 /nfs/dbraw/zinc/70/33/58/570703358.db2.gz CLBFXDHTPYTCHK-INIZCTEOSA-N 1 0 397.541 1.554 40 0 GDABRO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000058860698 570735823 /nfs/dbraw/zinc/73/58/23/570735823.db2.gz UYUGIROVHCXHCW-LJQANCHMSA-N 1 0 393.553 1.960 40 0 GDABRO CN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CCC[C@H](n2cnc3c2ncnc3N)[C@H]1O ZINC000257225828 570763688 /nfs/dbraw/zinc/76/36/88/570763688.db2.gz FIASXCUVGNOBSG-ZOBUZTSGSA-N 1 0 395.467 1.094 40 0 GDABRO CNC(=O)c1sc2nc([C@H]3CCCN3C(=O)C[NH+]3CCCC3)ccc2c1N ZINC000257228082 570764480 /nfs/dbraw/zinc/76/44/80/570764480.db2.gz FSFRGQURSPQMJO-CQSZACIVSA-N 1 0 387.509 1.997 40 0 GDABRO O=S(=O)(c1ccccc1)N1CCC2(CO[C@@H](C[N@H+]3CCC[C@H](O)C3)C2)CC1 ZINC000585104265 570933220 /nfs/dbraw/zinc/93/32/20/570933220.db2.gz OWLXNXXDBHVGMK-ZWKOTPCHSA-N 1 0 394.537 1.703 40 0 GDABRO COC[C@H]1CCC[N@@H+]1[C@H]1[C@@H](CNCc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000020465334 575367933 /nfs/dbraw/zinc/36/79/33/575367933.db2.gz RNTDEDZGQGKXSH-ZSXDVEMLSA-N 1 0 384.904 1.030 40 0 biogenic,in-vitro GDABRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000038771295 530618332 /nfs/dbraw/zinc/61/83/32/530618332.db2.gz GCLICEVWNIJJDX-UHFFFAOYSA-N 1 0 387.933 1.560 40 0 GDABRO O=S(=O)(NCC[NH2+][C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000575425883 532013966 /nfs/dbraw/zinc/01/39/66/532013966.db2.gz ZWBPLYWHJVQAON-VIFPVBQESA-N 1 0 387.310 1.048 40 0 GDABRO Cc1ccc(Cl)cc1S(=O)(=O)NCC[NH2+][C@@]1(C)CCS(=O)(=O)C1 ZINC000575425746 532014009 /nfs/dbraw/zinc/01/40/09/532014009.db2.gz IFCBARFDCCKWOF-AWEZNQCLSA-N 1 0 380.919 1.094 40 0 GDABRO CC[NH+](CC)CCn1nc2n(c(=O)c1=O)CC(=O)N(C)c1ccc(Cl)cc1-2 ZINC000001849766 206392722 /nfs/dbraw/zinc/39/27/22/206392722.db2.gz BMOKHIPTIFCLPZ-UHFFFAOYSA-N 1 0 391.859 1.044 40 0 GDABRO C[N@@H+]1C[C@@H](C(=O)NCc2cccs2)OC2(CCN(C(=O)C3CC3)CC2)C1 ZINC000306140105 209106944 /nfs/dbraw/zinc/10/69/44/209106944.db2.gz UJZDFPPUUWVKCY-INIZCTEOSA-N 1 0 377.510 1.466 40 0 GDABRO COc1ccccc1OCC(=O)N1CC[C@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019571360 207135747 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CKHIHXOJUNGKAE-UHFFFAOYSA-N 1 0 397.541 1.480 40 0 GDABRO CC(=O)N1CCC([NH2+]C[C@H]2Cn3c(-c4ccc5c(c4)OCO5)cnc3CO2)CC1 ZINC000096296391 209013730 /nfs/dbraw/zinc/01/37/30/209013730.db2.gz IZWLVWYJHMUNIA-KRWDZBQOSA-N 1 0 398.463 1.778 40 0 biogenic,in-vitro GDABRO O=c1[nH]c(N2CCOCC2)nc2c1C[N@H+](Cc1cccc3cccnc31)CC2 ZINC000072347460 136168942 /nfs/dbraw/zinc/16/89/42/136168942.db2.gz IMWLJLSYUPBUNS-UHFFFAOYSA-N 1 0 377.448 1.713 40 0 GDABRO COc1ccccc1NC(=O)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224323028 136206921 /nfs/dbraw/zinc/20/69/21/136206921.db2.gz LADKBGQSWDYKPO-UHFFFAOYSA-N 1 0 398.467 1.676 40 0 GDABRO [NH3+]CCCOc1cccc(C(=O)N2C[C@H](O)[C@H](Cc3cn4cccc4cn3)C2)c1 ZINC000257336567 209079257 /nfs/dbraw/zinc/07/92/57/209079257.db2.gz YPAGTLPMXPCSSF-UTKZUKDTSA-N 1 0 394.475 1.738 40 0 GDABRO NC(=[NH2+])SCC(=O)N(Cc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000261526558 209082601 /nfs/dbraw/zinc/08/26/01/209082601.db2.gz AWLALLKOPMZOND-MRXNPFEDSA-N 1 0 396.472 1.974 40 0 GDABRO CC[NH+]1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC(=O)OC)C2 ZINC000105312801 528989993 /nfs/dbraw/zinc/98/99/93/528989993.db2.gz XZKVDCDTYMPTBF-UHFFFAOYSA-N 1 0 382.482 1.345 40 0 GDABRO C[NH+]1CCC(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 ZINC000113953245 536343688 /nfs/dbraw/zinc/34/36/88/536343688.db2.gz IAMVCGDNPZPPFO-OAHLLOKOSA-N 1 0 387.889 1.077 40 0 GDABRO Cn1cc(C[NH2+][C@@H]2C[C@H](Cn3cc(C4CC4)nn3)[C@@H](O)[C@H]2O)c2ccccc21 ZINC000225500644 560042528 /nfs/dbraw/zinc/04/25/28/560042528.db2.gz VRWVKCGNBVSNPG-NVGWVTIJSA-N 1 0 381.480 1.547 40 0 biogenic,in-vitro GDABRO COCC(=O)N1CC[N@@H+](C2CCCC2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585281234 570249414 /nfs/dbraw/zinc/24/94/14/570249414.db2.gz HQIQIFRTEHALII-HXUWFJFHSA-N 1 0 398.450 1.808 40 0 GDABRO CN(C)C(=O)[C@@H]1CN(C)CC[N@H+](CC2(O)CCN(c3ccccc3F)CC2)C1 ZINC000585282280 570250172 /nfs/dbraw/zinc/25/01/72/570250172.db2.gz CPZIYVBYAMVRPQ-QGZVFWFLSA-N 1 0 392.519 1.109 40 0 GDABRO CNC(=O)[C@@]1(C)CCC[N@H+](CC2(O)CCN(c3cccc(OC)c3)CC2)C1 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398.442 1.708 40 0 GDABRO C[C@@H](Oc1cccc(F)c1)C(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21 ZINC000019080295 210223729 /nfs/dbraw/zinc/22/37/29/210223729.db2.gz RFPUUERQIOZZQD-ZIAGYGMSSA-N 1 0 398.442 1.626 40 0 GDABRO O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCC[NH+]1CCCCCC1 ZINC000013632545 210074519 /nfs/dbraw/zinc/07/45/19/210074519.db2.gz BWECOWPSYLJWLK-UHFFFAOYSA-N 1 0 379.482 1.213 40 0 GDABRO C[C@]1(N(CC[NH3+])S(=O)(=O)c2ccc3ccccc3c2)CCS(=O)(=O)C1 ZINC000575423793 532013771 /nfs/dbraw/zinc/01/37/71/532013771.db2.gz RGIGWPVXBXZMGA-KRWDZBQOSA-N 1 0 382.507 1.366 40 0 GDABRO COc1ccccc1OCC[NH2+]C[C@@H](O)c1ccc(C)c(S(N)(=O)=O)c1 ZINC000001536931 209332621 /nfs/dbraw/zinc/33/26/21/209332621.db2.gz LVEXHFZHOIWIIP-OAHLLOKOSA-N 1 0 380.466 1.353 40 0 world GDABRO C[NH+](C)CCNC(=O)CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O ZINC000054360978 212058959 /nfs/dbraw/zinc/05/89/59/212058959.db2.gz ZSFIFFVPSZEZOB-ZSOIEALJSA-N 1 0 377.422 1.129 40 0 GDABRO 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ZINC000306125422 212044534 /nfs/dbraw/zinc/04/45/34/212044534.db2.gz CQECGWLCJIGLKA-UHFFFAOYSA-N 1 0 377.456 1.797 40 0 GDABRO Cc1ccc2nccc(N3CCC(O)(CN(C)C(=O)CCCC[NH3+])CC3)c2n1 ZINC000257290519 212017815 /nfs/dbraw/zinc/01/78/15/212017815.db2.gz QDGZIPHXGJHMBV-UHFFFAOYSA-N 1 0 385.512 1.857 40 0 GDABRO CNC(=O)c1cnn2c1nccc2C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000257210615 212004127 /nfs/dbraw/zinc/00/41/27/212004127.db2.gz BVKYCQDVNKYZIT-UHFFFAOYSA-N 1 0 384.484 1.137 40 0 GDABRO C[NH+](C)CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000225547139 211905672 /nfs/dbraw/zinc/90/56/72/211905672.db2.gz UXBNMMKEDVYBGR-CQSZACIVSA-N 1 0 387.933 1.809 40 0 GDABRO COc1ccc(C[N@@H+]2CCN(C(=O)NC(C)C)C[C@@]3(CC(=O)N(C)C3)C2)cc1 ZINC000097952763 211373538 /nfs/dbraw/zinc/37/35/38/211373538.db2.gz BHMYVZXHLDUWGI-OAQYLSRUSA-N 1 0 388.512 1.779 40 0 GDABRO CCOC(=O)[C@@H]1C[C@]23C=C[C@]1(O)[C@H]1Oc4c5c(ccc4O)C[C@H]2[N@@H+](C)CC[C@]513 ZINC000096316431 211333030 /nfs/dbraw/zinc/33/30/30/211333030.db2.gz DLIVKNRHHSVJIA-NIDNZAGZSA-N 1 0 383.444 1.522 40 0 biogenic,in-vitro GDABRO CN(C)C(=O)[C@@]12C[N@H+](Cc3cnn(C)c3)C[C@@H]1CN(Cc1ccco1)CCC2 ZINC000096083057 211300410 /nfs/dbraw/zinc/30/04/10/211300410.db2.gz OETCFEBXSUTKIB-RXVVDRJESA-N 1 0 385.512 1.816 40 0 GDABRO COCC[N@H+](C)[C@@H]1COC2(C1)CCN(C(=O)c1nn(C)c3ccccc31)CC2 ZINC000096074194 211299263 /nfs/dbraw/zinc/29/92/63/211299263.db2.gz OVYRGDBYVMDOKR-INIZCTEOSA-N 1 0 386.496 1.915 40 0 GDABRO C[N@@H+]1CC[C@H](c2nn(CCNC(=O)COc3ccccc3)c3nccnc23)C1 ZINC000072391632 211109997 /nfs/dbraw/zinc/10/99/97/211109997.db2.gz MEVSUQVDLLKQLF-HNNXBMFYSA-N 1 0 380.452 1.441 40 0 GDABRO COc1cccc(NC(=O)C[C@H]2N=C(NC(=[NH2+])Nc3ccccc3)NC2=O)c1 ZINC000020799031 210362884 /nfs/dbraw/zinc/36/28/84/210362884.db2.gz KMXWAXJASPTDDL-OAHLLOKOSA-N 1 0 380.408 1.515 40 0 GDABRO CCC(=O)N1CC[C@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1 ZINC000019700779 210284074 /nfs/dbraw/zinc/28/40/74/210284074.db2.gz GOOHTFJZLKQFQH-SFHVURJKSA-N 1 0 398.507 1.626 40 0 GDABRO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3nc4ccccc4s3)CC2)C1 ZINC000019663720 210279660 /nfs/dbraw/zinc/27/96/60/210279660.db2.gz NOSRSJCUZARQSH-CQSZACIVSA-N 1 0 387.509 1.142 40 0 GDABRO O=C(c1ccc(F)cc1F)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224320676 136206668 /nfs/dbraw/zinc/20/66/68/136206668.db2.gz QVHSXYJEOFTKET-UHFFFAOYSA-N 1 0 389.406 1.554 40 0 GDABRO Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H]([NH2+]Cc3ccc(F)cc3)[C@@H]2O)cc1 ZINC000077264762 560046385 /nfs/dbraw/zinc/04/63/85/560046385.db2.gz NXYYRSWIQWQCRS-QRVBRYPASA-N 1 0 394.468 1.331 40 0 biogenic,in-vitro GDABRO Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H]([NH2+]Cc3ccccc3)[C@@H]2O)cc1 ZINC000077264748 560046435 /nfs/dbraw/zinc/04/64/35/560046435.db2.gz LHICWNYUZDJYLW-QRVBRYPASA-N 1 0 376.478 1.191 40 0 biogenic,in-vitro GDABRO COc1cccc(N2CCC(O)(C[N@@H+]3CCO[C@@](C)(C(=O)N(C)C)C3)CC2)c1 ZINC000585282132 570250019 /nfs/dbraw/zinc/25/00/19/570250019.db2.gz AOEFIUDQELEGRJ-HXUWFJFHSA-N 1 0 391.512 1.206 40 0 GDABRO O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[NH2+]Cc2cccnc2)C1 ZINC000585286213 570255486 /nfs/dbraw/zinc/25/54/86/570255486.db2.gz XQBTVXAFFWGYOC-PKOBYXMFSA-N 1 0 375.856 1.463 40 0 GDABRO CCOC(=O)C1=C(O)NC(N2CCN(C)CC2)=[NH+][C@@H]1c1cccc(Cl)c1 ZINC000020801677 570281674 /nfs/dbraw/zinc/28/16/74/570281674.db2.gz FLIOQZPDDXMGML-LSDHHAIUSA-N 1 0 378.860 1.294 40 0 GDABRO C[NH+]1CCC(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000113959128 570336860 /nfs/dbraw/zinc/33/68/60/570336860.db2.gz ZCFXLMDFLADRDY-UHFFFAOYSA-N 1 0 379.526 1.826 40 0 GDABRO COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(C[NH+](CC(C)(C)C)C3)C2)cc1 ZINC000604381767 570352630 /nfs/dbraw/zinc/35/26/30/570352630.db2.gz NRIQWTDNENZWKW-GOSISDBHSA-N 1 0 387.524 1.952 40 0 biogenic,in-vitro GDABRO COc1ccc(N2C(=O)C[C@@H](N3CCC[C@H](C(=O)N4CCCC4)C3)C2=O)cc1 ZINC000033821645 570529310 /nfs/dbraw/zinc/52/93/10/570529310.db2.gz QULVYMPHRPRJND-MAUKXSAKSA-N 1 0 385.464 1.662 40 0 GDABRO Cc1cc2ccccc2n2c(=O)n(CCNC(=O)[C@H](C)C[NH+]3CCOCC3)nc12 ZINC000036735086 570568515 /nfs/dbraw/zinc/56/85/15/570568515.db2.gz TYRCWCGBMBEXEN-MRXNPFEDSA-N 1 0 397.479 1.042 40 0 GDABRO C[C@H]1C[NH+](C2CCN(Cc3cnc(N4CCOCC4)nc3)CC2)C[C@H](C)O1 ZINC000036741485 570569452 /nfs/dbraw/zinc/56/94/52/570569452.db2.gz VHEUYKBDTVEUCD-IRXDYDNUSA-N 1 0 375.517 1.387 40 0 GDABRO Cc1ccc2cc(CN(CCCO)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2c1 ZINC000004131410 570617464 /nfs/dbraw/zinc/61/74/64/570617464.db2.gz FJGIJFPZWYIENQ-UHFFFAOYSA-N 1 0 390.553 1.847 40 0 GDABRO C[C@@H](C(=O)NC[C@H](c1ccccc1F)[NH+]1CCCC1)N1C(=O)NC(C)(C)C1=O ZINC000012200983 570624493 /nfs/dbraw/zinc/62/44/93/570624493.db2.gz PHYQGISQDKNQFK-XJKSGUPXSA-N 1 0 390.459 1.798 40 0 GDABRO CCn1nc(CC(=O)N(CC[NH+](C)C)Cc2cccnc2)c2ccccc2c1=O ZINC000012222271 570627912 /nfs/dbraw/zinc/62/79/12/570627912.db2.gz UTXBRWYSAQKXGY-UHFFFAOYSA-N 1 0 393.491 1.944 40 0 GDABRO COc1cc(C)ccc1S(=O)(=O)N1Cc2ccnn2C[C@@H](C[NH+](C)C)C1 ZINC000248121841 570720964 /nfs/dbraw/zinc/72/09/64/570720964.db2.gz NGBLFBPKTUYVST-HNNXBMFYSA-N 1 0 378.498 1.582 40 0 GDABRO COc1ncc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)cn1 ZINC000019572108 210267606 /nfs/dbraw/zinc/26/76/06/210267606.db2.gz BXOULIASIQNIAU-MRXNPFEDSA-N 1 0 384.484 1.938 40 0 GDABRO COc1cccc(CC(=O)N2CC[C@H](c3nn(CC[NH3+])c4nccnc34)C2)c1 ZINC000019564034 210263579 /nfs/dbraw/zinc/26/35/79/210263579.db2.gz WYIPBCRYDQWMDY-HNNXBMFYSA-N 1 0 380.452 1.352 40 0 GDABRO Cc1c(S(=O)(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[NH2+]C3)cnn1C ZINC000019553937 210261936 /nfs/dbraw/zinc/26/19/36/210261936.db2.gz ZKGPQPVXRWLKLJ-HNNXBMFYSA-N 1 0 376.486 1.080 40 0 GDABRO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2nc([C@@H]3CCN(C(C)=O)C3)ncc2C1 ZINC000019500955 210254076 /nfs/dbraw/zinc/25/40/76/210254076.db2.gz BCZVTPAGEGVMRN-IEBWSBKVSA-N 1 0 399.539 1.962 40 0 GDABRO C[C@H](Oc1ccccc1F)C(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21 ZINC000019080316 210223751 /nfs/dbraw/zinc/22/37/51/210223751.db2.gz VIAFFPDTWNOOKI-KBPBESRZSA-N 1 0 398.442 1.626 40 0 GDABRO COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCC[NH+](C)C)S(C)(=O)=O ZINC000013673901 530558927 /nfs/dbraw/zinc/55/89/27/530558927.db2.gz NIBRZVSJYOFVIE-NSHDSACASA-N 1 0 377.894 1.181 40 0 GDABRO C[NH+](C)CCCNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000013646524 530559145 /nfs/dbraw/zinc/55/91/45/530559145.db2.gz HDFHNOBMAVCLEA-UHFFFAOYSA-N 1 0 382.313 1.827 40 0 GDABRO C[NH+](C)CCCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000013670097 210078686 /nfs/dbraw/zinc/07/86/86/210078686.db2.gz LKVVQBUXDIWYCP-UHFFFAOYSA-N 1 0 381.420 1.539 40 0 GDABRO CC1CC[NH+](CCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000013646098 210073800 /nfs/dbraw/zinc/07/38/00/210073800.db2.gz QJNBVHUUIIUDAM-UHFFFAOYSA-N 1 0 379.482 1.069 40 0 GDABRO CS(=O)(=O)N(CCCC(=O)NCCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000010539116 209861882 /nfs/dbraw/zinc/86/18/82/209861882.db2.gz LHAXDPIBFZDZIZ-UHFFFAOYSA-N 1 0 385.505 1.974 40 0 GDABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(nn(CC4CC4)c(=O)c2=O)CO3)s1 ZINC000306138773 212052512 /nfs/dbraw/zinc/05/25/12/212052512.db2.gz SHAOBZKNMUFUOJ-IBGZPJMESA-N 1 0 388.493 1.360 40 0 GDABRO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2C[N@@H+](Cc4ccccn4)C[C@H]32)cc1 ZINC000306136709 212051718 /nfs/dbraw/zinc/05/17/18/212051718.db2.gz QAVGTZUUWDIAJZ-MJGOQNOKSA-N 1 0 389.459 1.386 40 0 GDABRO CC(=O)NC[C@H]1CC[C@@]2(COCC[N@H+](Cc3ccccc3-n3cccn3)C2)O1 ZINC000306133179 212050021 /nfs/dbraw/zinc/05/00/21/212050021.db2.gz MEEBSKGISGBGPP-TZIWHRDSSA-N 1 0 384.480 1.758 40 0 GDABRO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CC[N@H+](Cc2ccncc2)C1 ZINC000306127463 212046782 /nfs/dbraw/zinc/04/67/82/212046782.db2.gz FZCSPFJKVWWXGY-HXUWFJFHSA-N 1 0 395.488 1.457 40 0 GDABRO CS(=O)(=O)NC[C@H]1CC[C@@]2(COCC[N@H+](Cc3cccc4[nH]ccc43)C2)O1 ZINC000306125612 212045782 /nfs/dbraw/zinc/04/57/82/212045782.db2.gz CVOJLGYRACEUTO-VQIMIIECSA-N 1 0 393.509 1.467 40 0 GDABRO CS(=O)(=O)NC[C@@H]1CC[C@@]2(COCC[N@H+](Cc3cccc4[nH]ccc43)C2)O1 ZINC000306125611 212045253 /nfs/dbraw/zinc/04/52/53/212045253.db2.gz CVOJLGYRACEUTO-QFBILLFUSA-N 1 0 393.509 1.467 40 0 GDABRO O=c1c(=O)n2c(nn1CC1CC1)CO[C@]1(CC[N@@H+](Cc3cccc(F)c3)C1)C2 ZINC000306124932 212044847 /nfs/dbraw/zinc/04/48/47/212044847.db2.gz CCNWORLIDQOEEV-FQEVSTJZSA-N 1 0 386.427 1.129 40 0 GDABRO COc1ncccc1C[N@@H+]1C[C@@H]2Cn3c(nnc3C(=O)NC3CCC3)C[C@@H]2C1 ZINC000306126773 212044735 /nfs/dbraw/zinc/04/47/35/212044735.db2.gz FEZWPURUBGCFOS-HUUCEWRRSA-N 1 0 382.468 1.268 40 0 GDABRO O=C(N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1[NH+]1CCCCC1)c1ccccn1 ZINC000257321950 212023736 /nfs/dbraw/zinc/02/37/36/212023736.db2.gz WEAHQUIZGUITJF-ZRNYENFQSA-N 1 0 382.464 1.642 40 0 GDABRO CNc1nc([C@H]2CC[NH2+]C2)nc2c1CCN(CC(=O)Nc1ccc(OC)cc1)C2 ZINC000257312079 212021136 /nfs/dbraw/zinc/02/11/36/212021136.db2.gz UMKIWBHQBKFISN-AWEZNQCLSA-N 1 0 396.495 1.601 40 0 GDABRO C[NH+](C)CCCNc1nc(NC(=O)c2ccc(N)cc2)cc(-c2cccnc2)n1 ZINC000329035347 209158145 /nfs/dbraw/zinc/15/81/45/209158145.db2.gz RDUFMLTYCCVAQI-UHFFFAOYSA-N 1 0 391.479 1.581 40 0 GDABRO C[NH+](C)CCCNc1nc(NC(=O)c2cccc(N)c2)cc(-c2ccccn2)n1 ZINC000328993221 209156680 /nfs/dbraw/zinc/15/66/80/209156680.db2.gz JAFXATRZNPXVMS-UHFFFAOYSA-N 1 0 391.479 1.581 40 0 GDABRO COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCC[NH+]1CCCC1 ZINC000225054968 211880644 /nfs/dbraw/zinc/88/06/44/211880644.db2.gz HRUOLWKGPGCMIV-UHFFFAOYSA-N 1 0 397.541 1.480 40 0 GDABRO CCn1nc(C)cc1C(=O)N1CCC[C@]2(C[C@@H](C[N@H+](C)CCOC)CO2)C1 ZINC000096228488 211321155 /nfs/dbraw/zinc/32/11/55/211321155.db2.gz PPQCYLCXUDVPOH-PXNSSMCTSA-N 1 0 378.517 1.801 40 0 GDABRO CN1CC[NH+](C[C@H]2CO[C@]3(C2)CCCN(C(=O)c2cnc4ccccn42)C3)CC1 ZINC000096075639 211298849 /nfs/dbraw/zinc/29/88/49/211298849.db2.gz HHUIRHMKZVWWTN-AVRDEDQJSA-N 1 0 397.523 1.593 40 0 GDABRO CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1cnn(C)c1)CCC2 ZINC000096056101 211298275 /nfs/dbraw/zinc/29/82/75/211298275.db2.gz URBFGEYPYNITFY-PXNSSMCTSA-N 1 0 383.500 1.017 40 0 GDABRO CC(C)C[NH+]1CCC2(CC3(CCN(S(=O)(=O)C4CC4)CC3)N(C)C2=O)CC1 ZINC000096143676 211308686 /nfs/dbraw/zinc/30/86/86/211308686.db2.gz DBADYLQVNCNQSP-UHFFFAOYSA-N 1 0 397.585 1.914 40 0 GDABRO CCN1C(=O)[C@H]2C[N@H+](CCOC)C[C@H]2C12CCN(C(=O)c1ccccc1)CC2 ZINC000096143611 211308477 /nfs/dbraw/zinc/30/84/77/211308477.db2.gz SNSRCJWLTHEUAP-RBUKOAKNSA-N 1 0 385.508 1.718 40 0 GDABRO Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc4n3CC[N@@H+](C)CC4)C2)cc1 ZINC000072370914 211102804 /nfs/dbraw/zinc/10/28/04/211102804.db2.gz ARADZCHXDSMMRD-INIZCTEOSA-N 1 0 389.525 1.643 40 0 GDABRO CC1CC[NH+](CCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)CC1 ZINC000022523622 210416579 /nfs/dbraw/zinc/41/65/79/210416579.db2.gz KTFUATGRNUSNSU-UHFFFAOYSA-N 1 0 396.557 1.781 40 0 GDABRO COC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@H]1c1ccco1 ZINC000019818105 210300765 /nfs/dbraw/zinc/30/07/65/210300765.db2.gz AJXMSBXQTUJINQ-ROUUACIJSA-N 1 0 396.447 1.414 40 0 GDABRO Cc1cccc(CS(=O)(=O)N2CCC[C@H]2c2nnc3n2CC[NH2+]CC3)c1 ZINC000019710804 210286246 /nfs/dbraw/zinc/28/62/46/210286246.db2.gz PEFTVZGAFVQPJJ-INIZCTEOSA-N 1 0 375.498 1.399 40 0 GDABRO CN(Cc1ccc2ncccc2c1)C(=O)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000019747431 210291923 /nfs/dbraw/zinc/29/19/23/210291923.db2.gz VBFKGANUPIADQR-UHFFFAOYSA-N 1 0 380.492 1.993 40 0 GDABRO Cc1ccc(F)c(S(=O)(=O)N2CCc3nnc([C@@H]4CCC[NH2+]4)n3CC2)c1 ZINC000019706425 210284618 /nfs/dbraw/zinc/28/46/18/210284618.db2.gz JZPNYURNPNBUGQ-AWEZNQCLSA-N 1 0 379.461 1.397 40 0 GDABRO CN(CCC(=O)N1CCC[C@@H]1c1nnc2n1CC[NH2+]CC2)c1cccc(F)c1 ZINC000019706392 210283799 /nfs/dbraw/zinc/28/37/99/210283799.db2.gz CBACDYGPROXRHE-QGZVFWFLSA-N 1 0 386.475 1.753 40 0 GDABRO CC(=O)N1CCN(c2cc(C)[nH+]c([C@H]3CCCN3C(=O)c3cnn(C)c3)c2)CC1 ZINC000019698339 210280742 /nfs/dbraw/zinc/28/07/42/210280742.db2.gz QMPOQHAJBVXUPA-HXUWFJFHSA-N 1 0 396.495 1.769 40 0 GDABRO C[NH+](C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)CN1CCOCC1 ZINC000019583450 210271239 /nfs/dbraw/zinc/27/12/39/210271239.db2.gz QQCMJQAATGMGLU-UHFFFAOYSA-N 1 0 389.475 1.199 40 0 GDABRO CN(C)c1ccc(CC(=O)NCCn2nc([C@H]3CC[NH2+]C3)c3cccnc32)cc1 ZINC000019584947 210269591 /nfs/dbraw/zinc/26/95/91/210269591.db2.gz GVURVXJNMXDCRI-KRWDZBQOSA-N 1 0 392.507 1.933 40 0 GDABRO COc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCC[NH+](C)C)c1 ZINC000408710256 533508609 /nfs/dbraw/zinc/50/86/09/533508609.db2.gz VCAZHDOWWAVUMS-UHFFFAOYSA-N 1 0 398.463 1.242 40 0 GDABRO C[NH+]1CCN(c2ncnc3c2c(C(=O)NCC(F)(F)F)c2ccccn23)CC1 ZINC000096146733 136184277 /nfs/dbraw/zinc/18/42/77/136184277.db2.gz XYFSQWPVDQWIJD-UHFFFAOYSA-N 1 0 392.385 1.926 40 0 GDABRO Cc1noc(C)c1C[N@@H+]1C[C@H]2N(c3ncccn3)CCC[C@@]2(C(=O)N(C)C)C1 ZINC000096251135 136185691 /nfs/dbraw/zinc/18/56/91/136185691.db2.gz HRGUPWBXEAETNZ-YLJYHZDGSA-N 1 0 384.484 1.641 40 0 GDABRO CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccc(F)cc3)CN21 ZINC000035442315 560079420 /nfs/dbraw/zinc/07/94/20/560079420.db2.gz VWXCDQOMNYUFQG-OTWHNJEPSA-N 1 0 390.503 1.505 40 0 biogenic,in-vitro GDABRO Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)C[NH2+]CCO2)ccc1Cl ZINC000585270998 570239783 /nfs/dbraw/zinc/23/97/83/570239783.db2.gz CTLHOXPTRTVWGH-LJQANCHMSA-N 1 0 381.904 1.550 40 0 GDABRO COc1ccccc1C[NH2+]C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O ZINC000585285775 570255321 /nfs/dbraw/zinc/25/53/21/570255321.db2.gz TVYHKJKFQXVZIX-GMAHTHKFSA-N 1 0 398.503 1.742 40 0 GDABRO CCOC(=O)N1CCC([N@@H+]2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585287894 570258964 /nfs/dbraw/zinc/25/89/64/570258964.db2.gz UQSHTXXZZILIQY-HXUWFJFHSA-N 1 0 396.459 1.889 40 0 GDABRO COc1cc(C(=O)NC[C@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)nc(OC)n1 ZINC000022888245 570332862 /nfs/dbraw/zinc/33/28/62/570332862.db2.gz XVKATACPVXRRHF-GOSISDBHSA-N 1 0 399.495 1.521 40 0 GDABRO COCCn1nnnc1[C@H](c1ccccn1)N1CC[NH+](C2CCCCC2)CC1 ZINC000022584616 570348280 /nfs/dbraw/zinc/34/82/80/570348280.db2.gz ANQWMAVDTMVXLW-IBGZPJMESA-N 1 0 385.516 1.754 40 0 GDABRO CC[NH+]1CCN([C@H](c2nnnn2CCOC)c2ccc3ncccc3c2)CC1 ZINC000035310878 570465833 /nfs/dbraw/zinc/46/58/33/570465833.db2.gz KGWVOMFQIMSUQK-IBGZPJMESA-N 1 0 381.484 1.595 40 0 GDABRO OC[C@H]1[C@@H](O)[C@@H](O)[C@H](O)C[N@@H+]1CCCCCOCC12CC3CC(CC(C3)C1)C2 ZINC000033854099 570529803 /nfs/dbraw/zinc/52/98/03/570529803.db2.gz XVYLNHVEAOOEGI-PLWIEXRSSA-N 1 0 397.556 1.149 40 0 in-vitro GDABRO COCCNC(=S)NC1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000225228830 570557941 /nfs/dbraw/zinc/55/79/41/570557941.db2.gz ZHIDDGBAZQZJQT-UHFFFAOYSA-N 1 0 397.541 1.787 40 0 GDABRO COC[C@@H]1C[N@H+](Cc2ccccn2)CC12CCN(S(=O)(=O)C1CC1)CC2 ZINC000247883024 570717131 /nfs/dbraw/zinc/71/71/31/570717131.db2.gz QTLNUXOOEMLHHL-INIZCTEOSA-N 1 0 379.526 1.734 40 0 GDABRO O=C(NCCC[NH+]1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000066067693 570776151 /nfs/dbraw/zinc/77/61/51/570776151.db2.gz UVZFHFUAYACQAX-MRXNPFEDSA-N 1 0 397.516 1.829 40 0 GDABRO CC(=O)N[C@@H]1CN(C(C)=O)C2(C1)CC[NH+](Cc1c(C)nc3sccn13)CC2 ZINC000019704225 570896352 /nfs/dbraw/zinc/89/63/52/570896352.db2.gz LAIGLDMZAHTSRA-INIZCTEOSA-N 1 0 389.525 1.796 40 0 GDABRO O=S(=O)(Cc1ccccc1)N1CCC2(CO[C@@H](C[N@H+]3CC[C@H](O)C3)C2)CC1 ZINC000585104235 570932832 /nfs/dbraw/zinc/93/28/32/570932832.db2.gz OHKOONIPELNVBU-RBUKOAKNSA-N 1 0 394.537 1.454 40 0 GDABRO O=S(=O)(c1ccccc1)N1CCC2(CO[C@@H](C[N@H+]3CC[C@H](O)C3)C2)CC1 ZINC000585105129 570934541 /nfs/dbraw/zinc/93/45/41/570934541.db2.gz YXOANTPAAHEZPW-DLBZAZTESA-N 1 0 380.510 1.313 40 0 GDABRO CC[NH+]1CCN(CC2=NC(=O)N[C@H](c3ccc(C)cc3C)C2C(=O)OC)CC1 ZINC000020029437 570940294 /nfs/dbraw/zinc/94/02/94/570940294.db2.gz OJNKHSFHKRXKSV-LJQANCHMSA-N 1 0 386.496 1.722 40 0 GDABRO OC[C@@H]1O[C@H](C[NH2+]Cc2ccc(F)cc2)[C@H](N2CCc3ccccc3C2)[C@@H]1O ZINC000020465250 575367489 /nfs/dbraw/zinc/36/74/89/575367489.db2.gz AHIUPTAJRYKGTL-CLAROIROSA-N 1 0 386.467 1.463 40 0 biogenic,in-vitro GDABRO CCn1cc(S(=O)(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[NH2+]C3)cn1 ZINC000019525068 210257006 /nfs/dbraw/zinc/25/70/06/210257006.db2.gz VLVPJXXKMMRWOL-INIZCTEOSA-N 1 0 376.486 1.255 40 0 GDABRO O=C(CCc1ccccc1F)NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21 ZINC000019348661 210243546 /nfs/dbraw/zinc/24/35/46/210243546.db2.gz TVZRVFJLOCCRCE-OAHLLOKOSA-N 1 0 382.443 1.791 40 0 GDABRO COc1ccc(C[N@@H+]2CCC[C@@H](Cn3nnc4c3nc(C)[nH]c4=O)C2)cc1OC ZINC000019286468 210235251 /nfs/dbraw/zinc/23/52/51/210235251.db2.gz SUQKLHZLYAXCIU-OAHLLOKOSA-N 1 0 398.467 1.752 40 0 GDABRO CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)[C@H](C)[NH+]4CCCCC4)C3)ncc2C1 ZINC000019077739 210223447 /nfs/dbraw/zinc/22/34/47/210223447.db2.gz XUKVXXXFOYUFQY-DOTOQJQBSA-N 1 0 385.512 1.572 40 0 GDABRO COc1ccc(Cl)cc1N([C@H](C)C(=O)NCC[NH+](C)C)S(C)(=O)=O ZINC000013673903 530559161 /nfs/dbraw/zinc/55/91/61/530559161.db2.gz NIBRZVSJYOFVIE-LLVKDONJSA-N 1 0 377.894 1.181 40 0 GDABRO CN(Cc1ccccc1)S(=O)(=O)c1cncc(Cl)c1N1CC[NH2+]CC1 ZINC000072210749 530806108 /nfs/dbraw/zinc/80/61/08/530806108.db2.gz CNGLOKAIHKFRMS-UHFFFAOYSA-N 1 0 380.901 1.965 40 0 GDABRO O=S(=O)(c1cncc(Br)c1N1CC[NH2+]CC1)N1CCCCC1 ZINC000072210884 530806115 /nfs/dbraw/zinc/80/61/15/530806115.db2.gz VJERPHZBBDXQDL-UHFFFAOYSA-N 1 0 389.319 1.428 40 0 GDABRO O=C(NC1CCC1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306133300 212049971 /nfs/dbraw/zinc/04/99/71/212049971.db2.gz MHXKAZGMKDXGHL-CABCVRRESA-N 1 0 395.463 1.593 40 0 GDABRO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@@]1(CC[N@H+](Cc3ccoc3)C1)C2 ZINC000306132102 212049287 /nfs/dbraw/zinc/04/92/87/212049287.db2.gz KYLIMMYGJLASGF-NRFANRHFSA-N 1 0 396.422 1.634 40 0 GDABRO O=C(NC1CC1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306130956 212048923 /nfs/dbraw/zinc/04/89/23/212048923.db2.gz JTJCWSMTCAAEOL-KBPBESRZSA-N 1 0 381.436 1.203 40 0 GDABRO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@]1(CC[N@H+](Cc3ccoc3)C1)C2 ZINC000306132103 212048942 /nfs/dbraw/zinc/04/89/42/212048942.db2.gz KYLIMMYGJLASGF-OAQYLSRUSA-N 1 0 396.422 1.634 40 0 GDABRO O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@H]1CC[N@H+](Cc3ccco3)C[C@H]21 ZINC000306131453 212048664 /nfs/dbraw/zinc/04/86/64/212048664.db2.gz KEYILSCNPSFKDZ-AEFFLSMTSA-N 1 0 378.432 1.666 40 0 GDABRO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2C[N@@H+](Cc4cccnc4)C[C@H]32)cc1 ZINC000306123739 212045861 /nfs/dbraw/zinc/04/58/61/212045861.db2.gz AVCSKQHIGXZHDQ-OALUTQOASA-N 1 0 389.459 1.386 40 0 GDABRO [NH3+]CCCOc1cccc(C(=O)N2C[C@H](O)[C@H](Cc3ccc4nccn4c3)C2)c1 ZINC000257278245 212016739 /nfs/dbraw/zinc/01/67/39/212016739.db2.gz OBLXVWOOMVHUGR-QUCCMNQESA-N 1 0 394.475 1.738 40 0 GDABRO COCC[NH+]1CCC(Cc2nccnc2N2CC3(CCOCC3)OC2=O)CC1 ZINC000257273137 212014850 /nfs/dbraw/zinc/01/48/50/212014850.db2.gz NFJZVNBZUGMCRJ-UHFFFAOYSA-N 1 0 390.484 1.883 40 0 GDABRO O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCCC1)C1CCOCC1 ZINC000257255572 212012938 /nfs/dbraw/zinc/01/29/38/212012938.db2.gz KHZYLKFGYFFYAB-CGXNFDGLSA-N 1 0 388.508 1.965 40 0 GDABRO CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]Cc3ccccc3Cl)[C@@H](O)[C@H]2O1 ZINC000225513043 211903401 /nfs/dbraw/zinc/90/34/01/211903401.db2.gz OQCRUCZANAQQKC-ZLJHSHKTSA-N 1 0 382.888 1.630 40 0 biogenic,in-vitro GDABRO O=C(Cc1ccsc1)N1CC[C@]2(CC(C(=O)NCC[NH+]3CCCC3)=NO2)C1 ZINC000096225588 211318799 /nfs/dbraw/zinc/31/87/99/211318799.db2.gz KDMQNEUEXDZNOL-IBGZPJMESA-N 1 0 390.509 1.250 40 0 GDABRO CCC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC[NH+](C)C)[C@H]2CC1 ZINC000096145929 211309711 /nfs/dbraw/zinc/30/97/11/211309711.db2.gz QNXYIXQYSBXDCN-HOTGVXAUSA-N 1 0 395.525 1.401 40 0 GDABRO CN1CC[NH+](C[C@@H]2CO[C@]3(C2)CCCN(C(=O)c2cnc4ccccn42)C3)CC1 ZINC000096075640 211299367 /nfs/dbraw/zinc/29/93/67/211299367.db2.gz HHUIRHMKZVWWTN-GCJKJVERSA-N 1 0 397.523 1.593 40 0 GDABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)cc1 ZINC000096050423 211296646 /nfs/dbraw/zinc/29/66/46/211296646.db2.gz YJVVQEBWBUKKDH-NRFANRHFSA-N 1 0 397.479 1.269 40 0 GDABRO CC(C)NC(=O)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2CC[NH+](C)C ZINC000096143081 211307750 /nfs/dbraw/zinc/30/77/50/211307750.db2.gz JCUKIGSLPIZOTP-SFHVURJKSA-N 1 0 380.514 1.272 40 0 GDABRO O=C(NCCC[NH+]1CCCC1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000020451739 210336168 /nfs/dbraw/zinc/33/61/68/210336168.db2.gz VHODROLQVBIWQZ-UHFFFAOYSA-N 1 0 395.525 1.064 40 0 GDABRO CC(=O)N1CCN(c2cc(C)[nH+]c([C@@H]3CCCN3CC(=O)N3CCC3)c2)CC1 ZINC000019698241 210282063 /nfs/dbraw/zinc/28/20/63/210282063.db2.gz SPPITPFSLDIJSM-FQEVSTJZSA-N 1 0 385.512 1.428 40 0 GDABRO C[NH2+]C1CCC2(CC1)CN(S(=O)(=O)c1cn(C)cn1)Cc1ccccc1O2 ZINC000019592025 210275562 /nfs/dbraw/zinc/27/55/62/210275562.db2.gz DXKPJYPJPZTGRT-UHFFFAOYSA-N 1 0 390.509 1.904 40 0 GDABRO C[NH+](C)C1(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)CCCC1 ZINC000072391760 136169195 /nfs/dbraw/zinc/16/91/95/136169195.db2.gz NCPZYXQMTTYPSK-INIZCTEOSA-N 1 0 381.498 1.204 40 0 GDABRO O=C(c1c(F)cccc1F)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224328760 136206855 /nfs/dbraw/zinc/20/68/55/136206855.db2.gz IDTGIUSGPHXXNV-UHFFFAOYSA-N 1 0 389.406 1.554 40 0 GDABRO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCC[NH+](C)C)cc1 ZINC000408710225 534051250 /nfs/dbraw/zinc/05/12/50/534051250.db2.gz TXYGLABAJZZHLX-UHFFFAOYSA-N 1 0 396.491 1.931 40 0 GDABRO COc1ccc(CN2CC3(C2)CN(Cc2cccnc2)C[C@H]2C[C@@H](O)C[N@H+]23)cc1 ZINC000514290395 560029244 /nfs/dbraw/zinc/02/92/44/560029244.db2.gz XWGOJJXSPNKFAJ-NHCUHLMSSA-N 1 0 394.519 1.596 40 0 biogenic,in-vitro GDABRO COC(=O)[C@@H]1Cc2ncn(C(C)C)c2CN1S(=O)(=O)c1ccc(F)cc1 ZINC000015676502 560095590 /nfs/dbraw/zinc/09/55/90/560095590.db2.gz SRZPJPGXLAIVOB-HNNXBMFYSA-N 1 0 381.429 1.892 40 0 biogenic,in-vitro GDABRO C[NH+](C)CCNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2ccncc2)n1 ZINC000329042597 570214455 /nfs/dbraw/zinc/21/44/55/570214455.db2.gz SOTCUHBUQNYJAX-UHFFFAOYSA-N 1 0 378.436 1.828 40 0 GDABRO C[N@@H+](Cc1ccc(OCCOCCO)cc1)C[C@H](O)COc1ccccc1 ZINC000585269811 570238624 /nfs/dbraw/zinc/23/86/24/570238624.db2.gz LCYSXVMPYHZVFV-IBGZPJMESA-N 1 0 375.465 1.946 40 0 GDABRO CS(=O)(=O)N1CCC([NH+]2CCC(O)(COc3ccc(F)cc3)CC2)CC1 ZINC000585281960 570248383 /nfs/dbraw/zinc/24/83/83/570248383.db2.gz VQCODPZBXYPMRN-UHFFFAOYSA-N 1 0 386.489 1.455 40 0 GDABRO O=C(Cc1ccccc1)N1CC[C@](O)(C[NH2+]CCc2cccc(F)c2)[C@@H](O)C1 ZINC000585286197 570255615 /nfs/dbraw/zinc/25/56/15/570255615.db2.gz XGZYAEURMWTRCP-UNMCSNQZSA-N 1 0 386.467 1.525 40 0 GDABRO CCOc1ccccc1N(CCCC(=O)NC1CC[NH+](C)CC1)S(C)(=O)=O ZINC000113961350 570336657 /nfs/dbraw/zinc/33/66/57/570336657.db2.gz BIDYYKUQCPTUBV-UHFFFAOYSA-N 1 0 397.541 1.842 40 0 GDABRO C[C@@H](C(=O)NCCC[NH+]1CCCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224342210 570509795 /nfs/dbraw/zinc/50/97/95/570509795.db2.gz SPPDVLBLMHRZPA-ZDUSSCGKSA-N 1 0 389.468 1.721 40 0 GDABRO C[C@H](C(=O)NCCC[NH+]1CCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000010279229 570567693 /nfs/dbraw/zinc/56/76/93/570567693.db2.gz UWIMWSGPXAZRDH-OAHLLOKOSA-N 1 0 385.505 1.972 40 0 GDABRO CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]([NH3+])[C@@H]1NC(=O)c1ccccc1 ZINC000071782984 570576112 /nfs/dbraw/zinc/57/61/12/570576112.db2.gz QJWLTVVWSLQPON-YFWFAHHUSA-N 1 0 384.432 1.598 40 0 GDABRO Cc1nc(C)c(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CC[C@H](O)C4)C3)CC2)s1 ZINC000585104230 570933196 /nfs/dbraw/zinc/93/31/96/570933196.db2.gz NTHQCCFFMLEYKB-JKSUJKDBSA-N 1 0 379.526 1.838 40 0 GDABRO C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(N3CCCC3)c3nonc32)CC1=O ZINC000019717619 571039930 /nfs/dbraw/zinc/03/99/30/571039930.db2.gz NOWRFLRLAMNYHW-CYBMUJFWSA-N 1 0 386.456 1.172 40 0 GDABRO COc1ccccc1CC(=O)N1CC[C@@H](c2nn(CC[NH3+])c3ncccc23)C1 ZINC000019569455 210266510 /nfs/dbraw/zinc/26/65/10/210266510.db2.gz NJDBKKXPJNOQBS-MRXNPFEDSA-N 1 0 379.464 1.957 40 0 GDABRO COc1ccccc1CCC(=O)N1CC[C@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019569812 210265608 /nfs/dbraw/zinc/26/56/08/210265608.db2.gz USTNVJTUGVVNAQ-INIZCTEOSA-N 1 0 394.479 1.742 40 0 GDABRO CCOCc1ccc(C(=O)N2CC[C@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1 ZINC000019531202 210259881 /nfs/dbraw/zinc/25/98/81/210259881.db2.gz ULEZHXHFFCEZCS-KRWDZBQOSA-N 1 0 394.479 1.951 40 0 GDABRO COCCn1nnnc1[C@@H](c1ccc(Cl)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245227657 231040226 /nfs/dbraw/zinc/04/02/26/231040226.db2.gz RPEMSTJEXQWAGN-DLBZAZTESA-N 1 0 376.892 1.842 40 0 GDABRO O=C(Cn1cnc2ccccc21)N1CCc2nc(C3CC[NH2+]CC3)ncc2C1 ZINC000019376680 210246784 /nfs/dbraw/zinc/24/67/84/210246784.db2.gz MYXOREXRDOORDO-UHFFFAOYSA-N 1 0 376.464 1.878 40 0 GDABRO O=S(=O)(NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21)c1ccc(F)cc1 ZINC000019335147 210241292 /nfs/dbraw/zinc/24/12/92/210241292.db2.gz UYACUZSSJRHIBX-LBPRGKRZSA-N 1 0 390.444 1.021 40 0 GDABRO CC(=O)N1CC[C@H](c2nn(CCNC(=O)[C@@H](C)[NH+]3CCCC3)c3ncccc23)C1 ZINC000019080324 210224275 /nfs/dbraw/zinc/22/42/75/210224275.db2.gz YGLSUKFIQRIKKM-WBVHZDCISA-N 1 0 398.511 1.368 40 0 GDABRO C[C@@]1(CO)C[N@H+](Cc2ccccc2)C[C@@H]2CN(C(=O)C3CCOCC3)CCN21 ZINC000253405167 209219744 /nfs/dbraw/zinc/21/97/44/209219744.db2.gz RYAPCKHBFIHLRO-IRLDBZIGSA-N 1 0 387.524 1.193 40 0 biogenic,in-vitro GDABRO NC(=O)[C@H]1CC(=O)N(c2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000072228543 212059041 /nfs/dbraw/zinc/05/90/41/212059041.db2.gz JOFLLBVZXYGCBN-SFHVURJKSA-N 1 0 378.476 1.847 40 0 GDABRO COc1cccc(/C=C2\SC(=O)N(CC(=O)NCC[NH+](C)C)C2=O)c1OC ZINC000054360980 212058496 /nfs/dbraw/zinc/05/84/96/212058496.db2.gz IRJKDNLODSHWFY-UVTDQMKNSA-N 1 0 393.465 1.418 40 0 GDABRO COCCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2cccnc2)CC1 ZINC000306143975 212054996 /nfs/dbraw/zinc/05/49/96/212054996.db2.gz YSIWHQFAGACOGQ-UHFFFAOYSA-N 1 0 384.484 1.278 40 0 GDABRO O=C(c1cn2c(nc1=O)C[C@@]1(CC[N@H+](Cc3cccnc3)C1)C2)N1CCCC1 ZINC000306133416 212049776 /nfs/dbraw/zinc/04/97/76/212049776.db2.gz MKOLMVMKGJAKKH-OAQYLSRUSA-N 1 0 379.464 1.323 40 0 GDABRO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3nccs3)C[C@H]1C2 ZINC000306128521 212047473 /nfs/dbraw/zinc/04/74/73/212047473.db2.gz HCXHGHSIEDVILX-CVEARBPZSA-N 1 0 394.504 1.969 40 0 GDABRO COc1ccc([C@H]2C[N@H+](C)[C@@H]3CCN(C(=O)Cn4cccnc4=O)C[C@@H]32)cc1 ZINC000257302816 212019714 /nfs/dbraw/zinc/01/97/14/212019714.db2.gz SEOTZHBYAAUHFT-GUDVDZBRSA-N 1 0 382.464 1.198 40 0 GDABRO CNC(=O)c1cnn2c1nccc2[C@H]1CCCCN1C(=O)C[NH+]1CCCCC1 ZINC000257276636 212016145 /nfs/dbraw/zinc/01/61/45/212016145.db2.gz NUOFHPOLSUDKMD-MRXNPFEDSA-N 1 0 384.484 1.628 40 0 GDABRO CCN1CC[C@]2(C[N@H+](Cc3cccnc3)CC23CCN(C(=O)N(C)C)CC3)C1=O ZINC000096262816 211326771 /nfs/dbraw/zinc/32/67/71/211326771.db2.gz YRJNOBTUMQRHMO-QFIPXVFZSA-N 1 0 399.539 1.900 40 0 GDABRO Cc1ncccc1NC(=O)[C@H]1Cn2ccnc2C2(CC[NH+]([C@@H]3CCOC3)CC2)O1 ZINC000096243890 211325356 /nfs/dbraw/zinc/32/53/56/211325356.db2.gz GZUMAQOOOKOYSU-SJLPKXTDSA-N 1 0 397.479 1.704 40 0 GDABRO COc1cccc(CC(=O)N2CCC3(CC2)C(=O)N(C)CC[N@H+]3CC2CC2)c1 ZINC000096230292 211321747 /nfs/dbraw/zinc/32/17/47/211321747.db2.gz IHDIWPZXEWBBLX-UHFFFAOYSA-N 1 0 385.508 1.783 40 0 GDABRO CC(C)CNC(=O)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3cccnc3)CC2)O1 ZINC000096036782 211294332 /nfs/dbraw/zinc/29/43/32/211294332.db2.gz HGSFZNZALQNDDA-GOSISDBHSA-N 1 0 383.496 1.940 40 0 GDABRO C[N@H+]1CCc2nnc([C@H]3CCCN(C(=O)COc4ccccc4F)C3)n2CC1 ZINC000072370925 211102914 /nfs/dbraw/zinc/10/29/14/211102914.db2.gz ZQEWRJHDRRFWMJ-HNNXBMFYSA-N 1 0 387.459 1.690 40 0 GDABRO C[N@@H+]1CCC[C@@H](c2nnc3n2CCN(C(=O)CCCc2ccccn2)CC3)C1 ZINC000072370897 211102163 /nfs/dbraw/zinc/10/21/63/211102163.db2.gz NBBCZGIYBSCCHO-QGZVFWFLSA-N 1 0 382.512 1.890 40 0 GDABRO Cc1cccc(CC(=O)N2CCC(N3C(=O)NC4(CC[NH+](C)CC4)C3=O)CC2)c1 ZINC000072345339 211095390 /nfs/dbraw/zinc/09/53/90/211095390.db2.gz QDJRFQLZSJKJQA-UHFFFAOYSA-N 1 0 398.507 1.545 40 0 GDABRO COc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(=O)C[NH+](C)C)C3)nc2C)cc1 ZINC000019753110 210293707 /nfs/dbraw/zinc/29/37/07/210293707.db2.gz WNDJFXSFBPKTNG-OAHLLOKOSA-N 1 0 397.479 1.923 40 0 GDABRO Cc1nc(C2CC[NH+](Cc3cnn(C)c3)CC2)ncc1C(=O)N1CCOCC1 ZINC000019752005 210293476 /nfs/dbraw/zinc/29/34/76/210293476.db2.gz UUDPGBZQJRVLOW-UHFFFAOYSA-N 1 0 384.484 1.371 40 0 GDABRO COCc1ccc(C(=O)NCCn2nc([C@H]3CC[NH2+]C3)c3nccnc32)cc1 ZINC000019594441 210275170 /nfs/dbraw/zinc/27/51/70/210275170.db2.gz BCGFIMALHBMKHT-INIZCTEOSA-N 1 0 380.452 1.480 40 0 GDABRO C[N@@H+]1CCC[C@H](c2nnc3n2CCN(C(=O)COc2ccccc2F)CC3)C1 ZINC000019709256 210284145 /nfs/dbraw/zinc/28/41/45/210284145.db2.gz RMKIYXKDJAQZPK-HNNXBMFYSA-N 1 0 387.459 1.690 40 0 GDABRO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(N3CCOCC3)nc12 ZINC000096244144 136185501 /nfs/dbraw/zinc/18/55/01/136185501.db2.gz NFJSLONJJNMBQQ-HXUWFJFHSA-N 1 0 385.468 1.592 40 0 GDABRO COc1cccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(N4CCOCC4)nc23)c1 ZINC000096244168 136185791 /nfs/dbraw/zinc/18/57/91/136185791.db2.gz DASGIURWGUZBMD-JOCHJYFZSA-N 1 0 396.491 1.996 40 0 GDABRO O=C(NCC1CC1)[C@]12C[N@H+](Cc3cccnc3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251181 136185808 /nfs/dbraw/zinc/18/58/08/136185808.db2.gz COVCMNDOOQLEGF-DENIHFKCSA-N 1 0 392.507 1.869 40 0 GDABRO Cc1ccc(C(=O)N2CCN(c3cn[nH+]c(N4CCOCC4)c3)CC2)cc1C ZINC000224328132 136206949 /nfs/dbraw/zinc/20/69/49/136206949.db2.gz CQJKMHLKEPUUOV-UHFFFAOYSA-N 1 0 381.480 1.892 40 0 GDABRO COC[C@H]1CCC[N@@H+]1C[C@@H]1OC[C@H](NC(=O)c2ccc(F)c(Cl)c2)[C@H]1O ZINC000514288867 560033722 /nfs/dbraw/zinc/03/37/22/560033722.db2.gz IEXCVNXMHPIRAM-ISWURRPUSA-N 1 0 386.851 1.448 40 0 biogenic,in-vitro GDABRO CN1CCC([NH2+]C[C@H]2Cn3c(-c4ccc5c(c4)OCCO5)cnc3CO2)CC1 ZINC000096296437 560060340 /nfs/dbraw/zinc/06/03/40/560060340.db2.gz FAFKVPAOZOQHBR-KRWDZBQOSA-N 1 0 384.480 1.904 40 0 biogenic,in-vitro GDABRO COc1ccccc1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H](N(C)CCc2ccccn2)[C@H]1O ZINC000020464006 560092898 /nfs/dbraw/zinc/09/28/98/560092898.db2.gz NLSBKDOJTJNBHE-CSEOROSGSA-N 1 0 399.491 1.208 40 0 biogenic,in-vitro GDABRO Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)C[NH2+]CCO2)ccc1Cl ZINC000585270991 570239796 /nfs/dbraw/zinc/23/97/96/570239796.db2.gz CTLHOXPTRTVWGH-IBGZPJMESA-N 1 0 381.904 1.550 40 0 GDABRO Cc1ccc(OCC2(O)CC[NH+](C3CCN(S(C)(=O)=O)CC3)CC2)cc1 ZINC000585281935 570248434 /nfs/dbraw/zinc/24/84/34/570248434.db2.gz URYDOGROJFLERM-UHFFFAOYSA-N 1 0 382.526 1.625 40 0 GDABRO CN(C)C(=O)[C@H]1CN(C)CC[N@H+](CC2(O)CCN(c3ccc(F)cc3)CC2)C1 ZINC000585282538 570250494 /nfs/dbraw/zinc/25/04/94/570250494.db2.gz GCZWHYGKULQIAN-KRWDZBQOSA-N 1 0 392.519 1.109 40 0 GDABRO CCN1CCN(C(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)CC1 ZINC000113968492 570338788 /nfs/dbraw/zinc/33/87/88/570338788.db2.gz AJMHDFPOJUFWKN-UHFFFAOYSA-N 1 0 383.514 1.406 40 0 GDABRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC[NH+](C)CC3)CC2)cc1 ZINC000023421526 570361594 /nfs/dbraw/zinc/36/15/94/570361594.db2.gz KYQFLTWHJWNKBP-UHFFFAOYSA-N 1 0 379.526 1.606 40 0 GDABRO Cc1cc2c(o1)c1cnn([C@@H](C)C(=O)N3CC[NH+](C(C)C)CC3)c(=O)c1n2C ZINC000057731196 570371750 /nfs/dbraw/zinc/37/17/50/570371750.db2.gz AYSUHQPGUURNKA-AWEZNQCLSA-N 1 0 385.468 1.903 40 0 GDABRO CNc1cc(N2CCC[C@](O)(C[NH2+]Cc3ccc(OCCF)cc3)C2)ncn1 ZINC000257245424 570488144 /nfs/dbraw/zinc/48/81/44/570488144.db2.gz IPKNMBZETJFHDB-FQEVSTJZSA-N 1 0 389.475 1.988 40 0 GDABRO CC(=O)N1C[C@H](O)C[C@@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)[C@H](O)C1 ZINC000257268298 570488678 /nfs/dbraw/zinc/48/86/78/570488678.db2.gz MLAZVAPMJSTFAN-HMXCVIKNSA-N 1 0 385.464 1.093 40 0 GDABRO Cc1cc(NC[C@@H](O)C[N@H+]2CCC[C@H](C)C2)n2nc(-c3nccn3C)cc2n1 ZINC000036735101 570568667 /nfs/dbraw/zinc/56/86/67/570568667.db2.gz QXYJVVPGWXCOMQ-GOEBONIOSA-N 1 0 383.500 1.943 40 0 GDABRO Cc1ccc(CN(CC(=O)NCCC[N@H+]2CCC[C@H](C)C2)S(C)(=O)=O)cc1 ZINC000260810896 570707189 /nfs/dbraw/zinc/70/71/89/570707189.db2.gz KYUFGRHJWJKJLW-SFHVURJKSA-N 1 0 395.569 1.995 40 0 GDABRO CC(C)c1cc(C(=O)N2CCCC[C@H]2C[NH+](C)C)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000019452639 210251200 /nfs/dbraw/zinc/25/12/00/210251200.db2.gz HHFXZIRXRVXYJT-JKSUJKDBSA-N 1 0 396.557 1.922 40 0 GDABRO O=C(COCc1nc2ccccc2[nH]1)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019375847 210246539 /nfs/dbraw/zinc/24/65/39/210246539.db2.gz VECJCNDGYIZNIH-SFHVURJKSA-N 1 0 392.463 1.879 40 0 GDABRO O=C(Cc1ccc2c(c1)OCCO2)N1CCc2nc([C@H]3CC[NH2+]C3)ncc2C1 ZINC000019345719 210244874 /nfs/dbraw/zinc/24/48/74/210244874.db2.gz MYDQFHNMBAOQJP-HNNXBMFYSA-N 1 0 380.448 1.452 40 0 GDABRO Cc1csc2ncc(C(=O)NC3CC[NH+](Cc4cccnc4)CC3)c(=O)n12 ZINC000019240367 210235593 /nfs/dbraw/zinc/23/55/93/210235593.db2.gz CWRTUUHWZGURPZ-UHFFFAOYSA-N 1 0 383.477 1.854 40 0 GDABRO Cc1ccc(S(=O)(=O)N2CC[C@@H](c3ncc4c(n3)CC[NH2+]C4)C2)cc1F ZINC000019214501 210231673 /nfs/dbraw/zinc/23/16/73/210231673.db2.gz RAANMOFMLDGBII-CYBMUJFWSA-N 1 0 376.457 1.748 40 0 GDABRO CC(=O)N1CC[C@@H](c2nn(CCNC(=O)[C@@H](C)[NH+]3CCCC3)c3ncccc23)C1 ZINC000019080318 210223788 /nfs/dbraw/zinc/22/37/88/210223788.db2.gz YGLSUKFIQRIKKM-NVXWUHKLSA-N 1 0 398.511 1.368 40 0 GDABRO CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)C[NH+]1CCCCCC1)C2 ZINC000019017206 210222155 /nfs/dbraw/zinc/22/21/55/210222155.db2.gz GPBLBMQJIAHEFG-IBGZPJMESA-N 1 0 385.512 1.921 40 0 GDABRO CC(=O)N1C[C@]2(CCN(C(=O)N(C)C)C2)[C@H]2[C@@H]1CCC[N@@H+]2Cc1cccnc1 ZINC000306141472 212055523 /nfs/dbraw/zinc/05/55/23/212055523.db2.gz VXGJRFKVZSWFFN-QKNQBKEWSA-N 1 0 385.512 1.650 40 0 GDABRO CC(=O)N1CCOC[C@]2(CC[C@H](C[NH2+]Cc3c[nH]nc3-c3ccccc3)O2)C1 ZINC000306144282 212054884 /nfs/dbraw/zinc/05/48/84/212054884.db2.gz ZBCGCFWIWQIZDU-CTNGQTDRSA-N 1 0 384.480 1.963 40 0 GDABRO CC(C)NC(=O)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306134947 212051814 /nfs/dbraw/zinc/05/18/14/212051814.db2.gz OCDNXFLDVUEVAH-HUUCEWRRSA-N 1 0 383.452 1.449 40 0 GDABRO CC(C)Cn1nc2n(c(=O)c1=O)C[C@@]1(CC[N@H+](Cc3ccsc3)C1)OC2 ZINC000306131257 212048402 /nfs/dbraw/zinc/04/84/02/212048402.db2.gz JZGXRAPEBJIQNJ-SFHVURJKSA-N 1 0 376.482 1.297 40 0 GDABRO CC(=O)N1CC[NH+](C[C@]2(O)CCCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)CC1 ZINC000257298500 212019902 /nfs/dbraw/zinc/01/99/02/212019902.db2.gz RLZCZDNEDHMSNB-FQEVSTJZSA-N 1 0 391.516 1.054 40 0 GDABRO CN(C)S(=O)(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1 ZINC000257274005 212013640 /nfs/dbraw/zinc/01/36/40/212013640.db2.gz NJDWBTQZEPENNQ-UFYCRDLUSA-N 1 0 395.569 1.720 40 0 GDABRO COCCN1C(=O)CC[C@@H](C(=O)N2CCC[N@H+](C)CC2)[C@@H]1c1ccccc1F ZINC000257260149 212011880 /nfs/dbraw/zinc/01/18/80/212011880.db2.gz LBMOQKLYCNMCLY-XLIONFOSSA-N 1 0 391.487 1.916 40 0 GDABRO Cc1ccc2nccc(N3CCC[C@](O)(CN(C)C(=O)CCCC[NH3+])C3)c2n1 ZINC000257262948 212012017 /nfs/dbraw/zinc/01/20/17/212012017.db2.gz LNTHDZUKNBVITP-NRFANRHFSA-N 1 0 385.512 1.857 40 0 GDABRO COCCn1cnc(-c2nc(C(=O)N3CCC[N@H+](C)CC3)c3ccccn32)c1 ZINC000096266873 211328383 /nfs/dbraw/zinc/32/83/83/211328383.db2.gz CCRRNIWILIZFRI-UHFFFAOYSA-N 1 0 382.468 1.622 40 0 GDABRO C[NH+](C)CC(=O)N1CCN(c2ccc3ccc(C(=O)NCC4CC4)cn32)CC1 ZINC000096156006 211313010 /nfs/dbraw/zinc/31/30/10/211313010.db2.gz VFNWNIGDXNIXJJ-UHFFFAOYSA-N 1 0 383.496 1.289 40 0 GDABRO O=C(c1cnn2cccnc12)N1CCC[C@]2(C[C@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096075587 211298529 /nfs/dbraw/zinc/29/85/29/211298529.db2.gz WPXNLNCLNINSJM-UZLBHIALSA-N 1 0 385.468 1.073 40 0 GDABRO CCN1CC[C@]2(CN(S(C)(=O)=O)CC23CC[NH+](Cc2ccco2)CC3)C1=O ZINC000096036522 211294774 /nfs/dbraw/zinc/29/47/74/211294774.db2.gz CFDFIXPEYAQLNO-IBGZPJMESA-N 1 0 395.525 1.376 40 0 GDABRO CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3cnn(C)c3)CC2)O1 ZINC000096144907 211308174 /nfs/dbraw/zinc/30/81/74/211308174.db2.gz PKVGTTCBJKVKHG-KRWDZBQOSA-N 1 0 386.500 1.375 40 0 GDABRO Cn1cc(C(=O)NCc2ccccn2)c(CC2CCN(C(=O)C[NH+](C)C)CC2)n1 ZINC000019758620 210293923 /nfs/dbraw/zinc/29/39/23/210293923.db2.gz ZBAIBIZULPIZKT-UHFFFAOYSA-N 1 0 398.511 1.088 40 0 GDABRO C[NH+](C)C[C@H](NC(=O)c1ccc(=O)n(CC(=O)N2CCCC2)c1)c1ccccc1 ZINC000019745693 210290835 /nfs/dbraw/zinc/29/08/35/210290835.db2.gz NWQHDJYZOCZTAR-IBGZPJMESA-N 1 0 396.491 1.503 40 0 GDABRO Cc1ncc(C(=O)N2CCC([C@H]3CCCC[N@H+]3CC(=O)N(C)C)CC2)c(C)n1 ZINC000019746404 210290948 /nfs/dbraw/zinc/29/09/48/210290948.db2.gz JKEFTJUMYYRHJL-LJQANCHMSA-N 1 0 387.528 1.888 40 0 GDABRO COc1cc2c(c(C[NH+]3CCC4(CC3)NC(=O)N(C)C4=O)cn2C)c(OC)c1 ZINC000019715818 210287871 /nfs/dbraw/zinc/28/78/71/210287871.db2.gz DNTWRIMZYSMGGZ-UHFFFAOYSA-N 1 0 386.452 1.712 40 0 GDABRO CN(C)c1cccc(C(=O)N2CCc3nnc([C@H]4CCC[N@H+](C)C4)n3CC2)c1 ZINC000019709487 210283741 /nfs/dbraw/zinc/28/37/41/210283741.db2.gz DTGSMETZGSTALF-KRWDZBQOSA-N 1 0 382.512 1.852 40 0 GDABRO Cc1ccccc1OCCC(=O)N1CCC[C@@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019709230 210283585 /nfs/dbraw/zinc/28/35/85/210283585.db2.gz IKDQMUZSHWHYEC-QGZVFWFLSA-N 1 0 383.496 1.907 40 0 GDABRO CC(C)[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)C(C)(C)C)C1)C2=O ZINC000019699851 210281766 /nfs/dbraw/zinc/28/17/66/210281766.db2.gz LATFTAGOBNXWAL-HNNXBMFYSA-N 1 0 378.517 1.818 40 0 GDABRO COc1ccccc1CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnn(C)c1 ZINC000019662821 210279523 /nfs/dbraw/zinc/27/95/23/210279523.db2.gz JCQXXJHKVNBJNL-UHFFFAOYSA-N 1 0 378.498 1.714 40 0 GDABRO C[NH2+]C1CCC2(CC1)CN(S(=O)(=O)N1CCOCC1)Cc1ccccc1O2 ZINC000019591995 210275062 /nfs/dbraw/zinc/27/50/62/210275062.db2.gz RGLAGDGXQUPYMR-UHFFFAOYSA-N 1 0 395.525 1.359 40 0 GDABRO C[NH+]1CCC2(CC1)CN(CC(=O)NC[C@@H]1CCCO1)C(=O)c1ccccc1O2 ZINC000019588395 210273913 /nfs/dbraw/zinc/27/39/13/210273913.db2.gz BECVVTIOMKXCDF-INIZCTEOSA-N 1 0 387.480 1.281 40 0 GDABRO O=C1N[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccccc2)Nc2c1cnn2C1CCOCC1 ZINC000169747723 534798252 /nfs/dbraw/zinc/79/82/52/534798252.db2.gz PQYURWIRBUDGPO-SLFFLAALSA-N 1 0 395.507 1.992 40 0 GDABRO COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)CN3C3(C[NH+](CC(C)C)C3)C2)c1 ZINC000514288836 560033755 /nfs/dbraw/zinc/03/37/55/560033755.db2.gz FWKWSCJNGWULRZ-VQTJNVASSA-N 1 0 387.524 1.434 40 0 biogenic,in-vitro GDABRO Cn1cc(C[NH2+]C[C@@]2(COc3cnccn3)C[C@@H](O)[C@@H](O)C2)c2ccccc21 ZINC000107430554 560044961 /nfs/dbraw/zinc/04/49/61/560044961.db2.gz SDKBPGPFVBXZCV-CEQLMSFQSA-N 1 0 382.464 1.639 40 0 biogenic,in-vitro GDABRO COCCN[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)[C@@H]1O ZINC000012483741 560212325 /nfs/dbraw/zinc/21/23/25/560212325.db2.gz WUELVLQEKKVLLL-CSEOROSGSA-N 1 0 384.476 1.532 40 0 biogenic,in-vitro GDABRO O=C(Cc1ccccc1)N1CC[C@](O)(C[NH2+]Cc2cc(F)cc(F)c2)[C@@H](O)C1 ZINC000585286214 570255791 /nfs/dbraw/zinc/25/57/91/570255791.db2.gz XQKRCOMPJPWDKE-FPOVZHCZSA-N 1 0 390.430 1.621 40 0 GDABRO Cc1ccccc1CC[NH2+]C[C@]1(O)CN(C(=O)CCc2ccccc2)C[C@H]1O ZINC000585290215 570258095 /nfs/dbraw/zinc/25/80/95/570258095.db2.gz OQYXJBIHIWGNKO-GGAORHGYSA-N 1 0 382.504 1.694 40 0 GDABRO O=C(C[C@@H]([NH2+]C(CO)(CO)CO)c1ccccc1)c1cc2ccccc2oc1=O ZINC000005684591 570272980 /nfs/dbraw/zinc/27/29/80/570272980.db2.gz SGUXSBJAJXXHDF-GOSISDBHSA-N 1 0 397.427 1.412 40 0 GDABRO C[NH+]1CCC(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)CC1 ZINC000113965471 570337393 /nfs/dbraw/zinc/33/73/93/570337393.db2.gz IFSXRGXTFCOQRL-UHFFFAOYSA-N 1 0 389.468 1.721 40 0 GDABRO COc1ccc(C)cc1N([C@@H](C)C(=O)NC1CC[NH+](C)CC1)S(C)(=O)=O ZINC000220350465 570385608 /nfs/dbraw/zinc/38/56/08/570385608.db2.gz LNZBNMUXIKWTJL-AWEZNQCLSA-N 1 0 383.514 1.369 40 0 GDABRO CCOc1ccc(N([C@H](CC)C(=O)NC2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000220681416 570390119 /nfs/dbraw/zinc/39/01/19/570390119.db2.gz LSUUBNCADGMFDI-GOSISDBHSA-N 1 0 397.541 1.840 40 0 GDABRO O[C@@]1(CN2CCOCC2)CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000257317560 570487333 /nfs/dbraw/zinc/48/73/33/570487333.db2.gz VKGNQTXYRLDYRQ-JOCHJYFZSA-N 1 0 383.492 1.930 40 0 GDABRO CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]([NH3+])[C@@H]1NC(=O)c1ccccc1 ZINC000071782985 570575999 /nfs/dbraw/zinc/57/59/99/570575999.db2.gz QJWLTVVWSLQPON-ZOCXKQACSA-N 1 0 384.432 1.598 40 0 GDABRO CNC(=S)N(CCC[NH+](C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000004160486 570619532 /nfs/dbraw/zinc/61/95/32/570619532.db2.gz ZHWVNGFHZOCCNF-UHFFFAOYSA-N 1 0 376.482 1.515 40 0 GDABRO COC[C@@H]1CN(S(=O)(=O)C2CC2)CC12CC[NH+](Cc1ccccn1)CC2 ZINC000247905273 570717150 /nfs/dbraw/zinc/71/71/50/570717150.db2.gz WYDDGLOLHAMTPJ-INIZCTEOSA-N 1 0 379.526 1.734 40 0 GDABRO Cc1ccc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)cc1 ZINC000013648736 570766749 /nfs/dbraw/zinc/76/67/49/570766749.db2.gz HRWJKTSYHDKGQE-UHFFFAOYSA-N 1 0 381.542 1.999 40 0 GDABRO CCOC(=O)[C@@]12C[N@H+](CCN(C)C)C[C@@H]1CN(C(=O)c1conc1C)CCC2 ZINC000585108062 570939814 /nfs/dbraw/zinc/93/98/14/570939814.db2.gz KGDHLGBJOJNPNK-UZLBHIALSA-N 1 0 392.500 1.262 40 0 GDABRO CC[NH+]1CCN(CC2=NC(=O)N[C@H](c3cc(C)ccc3C)C2C(=O)OC)CC1 ZINC000020029435 570940158 /nfs/dbraw/zinc/94/01/58/570940158.db2.gz MNODTTCUCCHKOF-LJQANCHMSA-N 1 0 386.496 1.722 40 0 GDABRO Cc1noc(CC(=O)N2CCOC[C@]3(CC[N@H+](Cc4cccs4)C3)C2)n1 ZINC000585113573 570944236 /nfs/dbraw/zinc/94/42/36/570944236.db2.gz XLUXSTDOLOYKPX-SFHVURJKSA-N 1 0 376.482 1.733 40 0 GDABRO CC[NH+]1CCN(c2nc([C@@H](C)n3ncc4ccccc4c3=O)cc(=O)[nH]2)CC1 ZINC000019717522 571039922 /nfs/dbraw/zinc/03/99/22/571039922.db2.gz LLVHBDYNSLQJGH-CQSZACIVSA-N 1 0 380.452 1.643 40 0 GDABRO COc1ccccc1OCC(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21 ZINC000019571462 210267591 /nfs/dbraw/zinc/26/75/91/210267591.db2.gz OLUKISRQGWFECU-AWEZNQCLSA-N 1 0 396.451 1.107 40 0 GDABRO COc1ccc(OC)c(CC(=O)N2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)c1 ZINC000019551384 210262009 /nfs/dbraw/zinc/26/20/09/210262009.db2.gz QGGKKVXFOJSFRG-CQSZACIVSA-N 1 0 382.464 1.698 40 0 GDABRO COc1ccc(OC)c(CC(=O)N2CC[C@H](c3ncc4c(n3)CC[NH2+]C4)C2)c1 ZINC000019551313 210261630 /nfs/dbraw/zinc/26/16/30/210261630.db2.gz FISYBAUJRFWYNC-AWEZNQCLSA-N 1 0 382.464 1.698 40 0 GDABRO CC(C)c1cc(C(=O)N2CCCC[C@H]2C[NH+](C)C)nn1[C@H]1CCS(=O)(=O)C1 ZINC000019452643 210251040 /nfs/dbraw/zinc/25/10/40/210251040.db2.gz HHFXZIRXRVXYJT-HOTGVXAUSA-N 1 0 396.557 1.922 40 0 GDABRO O=C(c1ccc2c(c1)OCCO2)N1CCC(c2ncc3c(n2)CC[NH2+]C3)CC1 ZINC000019345495 210241106 /nfs/dbraw/zinc/24/11/06/210241106.db2.gz XNUGYABXUUTZJJ-UHFFFAOYSA-N 1 0 380.448 1.913 40 0 GDABRO N=C1NC(=[NH2+])N[C@H](c2ccc(Cl)cc2)N1c1ccc(S(N)(=O)=O)cc1 ZINC000004824902 530537236 /nfs/dbraw/zinc/53/72/36/530537236.db2.gz PQCVHDDRCNRMGD-ZDUSSCGKSA-N 1 0 378.845 1.136 40 0 GDABRO C[C@@H](C(=O)NC1CC[NH+](C)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113967301 530892019 /nfs/dbraw/zinc/89/20/19/530892019.db2.gz VQYYRUAAQINALP-NSHDSACASA-N 1 0 375.441 1.330 40 0 GDABRO CCS(=O)(=O)C1(CN2CCN(C(=O)OC(C)(C)C)CC2)CC[NH2+]CC1 ZINC000217931305 531027028 /nfs/dbraw/zinc/02/70/28/531027028.db2.gz YWGRCWIJKGOEPU-UHFFFAOYSA-N 1 0 375.535 1.096 40 0 GDABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](S(C)(=O)=O)[C@H]1c1ccc(Br)cc1 ZINC000242548679 531055452 /nfs/dbraw/zinc/05/54/52/531055452.db2.gz LTFPHXCXOHEUNL-YRGRVCCFSA-N 1 0 376.272 1.468 40 0 GDABRO CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCC[N@@H+]2CCC[C@H](C)C2)s1 ZINC000260846731 531093072 /nfs/dbraw/zinc/09/30/72/531093072.db2.gz YLGFCXHVUIBZSE-LBPRGKRZSA-N 1 0 389.547 1.533 40 0 GDABRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+]Cc3cccnc3)CC2)cc1 ZINC000035314105 209632730 /nfs/dbraw/zinc/63/27/30/209632730.db2.gz KJEGJZVGSIRIFW-UHFFFAOYSA-N 1 0 388.493 1.013 40 0 GDABRO NC(=[NH2+])SCC(=O)N(Cc1ccccc1)[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000261526557 212030677 /nfs/dbraw/zinc/03/06/77/212030677.db2.gz AWLALLKOPMZOND-INIZCTEOSA-N 1 0 396.472 1.974 40 0 GDABRO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1C[N@H+](Cc1cnn(C)c1)CC2 ZINC000257320898 212023883 /nfs/dbraw/zinc/02/38/83/212023883.db2.gz VZDFJWHUDJBDNM-YPAWHYETSA-N 1 0 395.507 1.720 40 0 GDABRO CC(C)(C)c1cc(C(=O)N2CCC[C@](O)(C[NH+]3CCCC3)CC2)[nH]c(=O)n1 ZINC000257316591 212023520 /nfs/dbraw/zinc/02/35/20/212023520.db2.gz VGEYACRRDYLQBV-HXUWFJFHSA-N 1 0 376.501 1.933 40 0 GDABRO Cc1ncc(-c2cncc(CC3CC[NH+](CC4(O)CCOCC4)CC3)n2)n1C ZINC000257281940 212015750 /nfs/dbraw/zinc/01/57/50/212015750.db2.gz OROXYDPFJSQGIY-UHFFFAOYSA-N 1 0 385.512 1.982 40 0 GDABRO [NH3+]CCOc1ccc(C(=O)N2C[C@H](O)[C@H](Cc3cn4cccc4cn3)C2)cc1 ZINC000257255189 212012610 /nfs/dbraw/zinc/01/26/10/212012610.db2.gz KGMVURHYBFKZKF-UZLBHIALSA-N 1 0 380.448 1.347 40 0 GDABRO COc1ccc([C@H]2C[N@H+](C)[C@@H]3CCN(C(=O)Cn4nc(C)ccc4=O)C[C@@H]32)cc1 ZINC000257245833 212010976 /nfs/dbraw/zinc/01/09/76/212010976.db2.gz IRGKUFRXFKWPBL-VAMGGRTRSA-N 1 0 396.491 1.507 40 0 GDABRO C[NH+](C)CCCNc1nc(NC(=O)c2cccc(N)c2)cc(-c2ccncc2)n1 ZINC000329065951 209160278 /nfs/dbraw/zinc/16/02/78/209160278.db2.gz XVSYAQLTXAYCPT-UHFFFAOYSA-N 1 0 391.479 1.581 40 0 GDABRO O=C(c1cnn2cccnc12)N1CCC[C@@]2(C[C@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096075588 211299374 /nfs/dbraw/zinc/29/93/74/211299374.db2.gz WPXNLNCLNINSJM-OXQOHEQNSA-N 1 0 385.468 1.073 40 0 GDABRO CCN1CC[C@]2(C[N@H+](CCOC)CC23CCN(Cc2nccs2)CC3)C1=O ZINC000096036422 211295227 /nfs/dbraw/zinc/29/52/27/211295227.db2.gz UQIUQHJRQMOEAL-FQEVSTJZSA-N 1 0 392.569 1.926 40 0 GDABRO CC(=O)N1CCc2nc([C@H]3CCN(C(=O)C[C@@H]4CCCC[N@H+]4C)C3)ncc2C1 ZINC000072397281 211111581 /nfs/dbraw/zinc/11/15/81/211111581.db2.gz UUJXCAHVNAFXEI-WMZOPIPTSA-N 1 0 385.512 1.572 40 0 GDABRO CCc1nccn1-c1cccc([C@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000072379156 211108440 /nfs/dbraw/zinc/10/84/40/211108440.db2.gz FWZKYYZODSWTNH-KRWDZBQOSA-N 1 0 383.496 1.868 40 0 GDABRO C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)C1 ZINC000019751300 210293206 /nfs/dbraw/zinc/29/32/06/210293206.db2.gz FTAJTDVUJCAXDU-QGZVFWFLSA-N 1 0 386.427 1.450 40 0 GDABRO CC1CCC(CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)([NH+]2CCCCC2)CC1 ZINC000019655252 210277866 /nfs/dbraw/zinc/27/78/66/210277866.db2.gz RRJWYHFDUCPTNZ-QPIRBTGLSA-N 1 0 399.601 1.656 40 0 GDABRO CN(C[C@H]1OCCc2ccccc21)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1C1CCCC1 ZINC000019586035 210271689 /nfs/dbraw/zinc/27/16/89/210271689.db2.gz BQSGOSKDQZGTIC-WOJBJXKFSA-N 1 0 385.508 1.892 40 0 GDABRO CCn1c2cc(C)oc2c2cnn(CC(=O)NC[C@@H]3CCC[N@@H+]3CC)c(=O)c21 ZINC000012183682 221162680 /nfs/dbraw/zinc/16/26/80/221162680.db2.gz RAQUGVILCQJYME-AWEZNQCLSA-N 1 0 385.468 1.873 40 0 GDABRO O=C(NCC1CC1)[C@]12C[N@H+](Cc3ccccn3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251180 136185815 /nfs/dbraw/zinc/18/58/15/136185815.db2.gz JRRSHKBCQLOEQT-DENIHFKCSA-N 1 0 392.507 1.869 40 0 GDABRO Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@](O)(CN3CCOCC3)C2)cc1 ZINC000585270361 570239139 /nfs/dbraw/zinc/23/91/39/570239139.db2.gz VMDMCXJSXZMHFA-NRFANRHFSA-N 1 0 386.496 1.268 40 0 GDABRO CCOC(=O)N1CCC([N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585282379 570250156 /nfs/dbraw/zinc/25/01/56/570250156.db2.gz IPAGMUGSNOHXQO-FPOVZHCZSA-N 1 0 392.496 1.792 40 0 GDABRO O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]CCc2ccccc2)C1 ZINC000585283031 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CC(C)C[NH+]1CCC2(CC1)O[C@H](C(=O)NC[C@H]1CCCO1)Cn1ccnc12 ZINC000096243788 211325453 /nfs/dbraw/zinc/32/54/53/211325453.db2.gz LDUHOMZGTFFKEH-SJORKVTESA-N 1 0 376.501 1.524 40 0 GDABRO COCC[N@@H+]1CC[C@H](c2nnc3ccc(C(=O)NCCc4ccncc4)cn32)C1 ZINC000096156140 211313075 /nfs/dbraw/zinc/31/30/75/211313075.db2.gz ZTOXXKXZKHWRRO-KRWDZBQOSA-N 1 0 394.479 1.533 40 0 GDABRO CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096050422 211296373 /nfs/dbraw/zinc/29/63/73/211296373.db2.gz KNUTZRSRSISSTF-HXUWFJFHSA-N 1 0 385.443 1.399 40 0 GDABRO C[N@@H+]1CC[C@H](c2nn(CCNC(=O)COc3ccc(F)cc3)c3nccnc23)C1 ZINC000072391672 211110901 /nfs/dbraw/zinc/11/09/01/211110901.db2.gz KPMMHZYAHXGZOC-AWEZNQCLSA-N 1 0 398.442 1.580 40 0 GDABRO CCCc1nn(CC(=O)NCCC[NH+](C)C)c(=O)c2cc3ccsc3n21 ZINC000072335265 211093292 /nfs/dbraw/zinc/09/32/92/211093292.db2.gz YSZRLFUSIOXKJF-UHFFFAOYSA-N 1 0 375.498 1.731 40 0 GDABRO C[NH+](C)C1(CNC(=O)[C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)CCCC1 ZINC000019748015 210291995 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Cc1cc(C)cc(C(=O)N2CCN(c3cc(N4CCOCC4)cn[nH+]3)CC2)c1 ZINC000224320270 136206762 /nfs/dbraw/zinc/20/67/62/136206762.db2.gz MNPRTYINQYMKBQ-UHFFFAOYSA-N 1 0 381.480 1.892 40 0 GDABRO O=C(C[C@@H]1O[C@H](C[NH2+]Cc2cccc(Cl)c2)[C@@H](O)[C@H]1O)Nc1ccccc1 ZINC000012603816 560213318 /nfs/dbraw/zinc/21/33/18/560213318.db2.gz ZIZAUQUEVYDUBK-KVPLUYHFSA-N 1 0 390.867 1.948 40 0 biogenic,in-vitro GDABRO COCCNC(=O)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(-c2ccc(OC)cc2)nn1 ZINC000008297686 565090996 /nfs/dbraw/zinc/09/09/96/565090996.db2.gz FQMLBUGOQJMVDH-SCTDSRPQSA-N 1 0 399.495 1.427 40 0 biogenic,in-vitro GDABRO CC(=O)N1CCC([N@@H+]2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)CC1 ZINC000585281729 570248052 /nfs/dbraw/zinc/24/80/52/570248052.db2.gz QKTIWRDESMFDPV-IBGZPJMESA-N 1 0 382.888 1.793 40 0 GDABRO NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)C[NH+]2CCCCC2)CCO1 ZINC000585282561 570250378 /nfs/dbraw/zinc/25/03/78/570250378.db2.gz GXXYKYBCVCUAOP-HXUWFJFHSA-N 1 0 393.459 1.163 40 0 GDABRO CC(=O)N1CCC([N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)CC1 ZINC000585284193 570253353 /nfs/dbraw/zinc/25/33/53/570253353.db2.gz VPEQCPWNJDTEMN-PMACEKPBSA-N 1 0 396.915 1.836 40 0 GDABRO Cc1cccc(N2CCC(O)(C[N@@H+]3CCO[C@](C)(C(=O)N(C)C)C3)CC2)c1 ZINC000585285540 570254803 /nfs/dbraw/zinc/25/48/03/570254803.db2.gz ZMJCCOLUNDUNAH-FQEVSTJZSA-N 1 0 375.513 1.505 40 0 GDABRO O=C(Cc1ccccc1)N1CC[C@](O)(C[NH2+]CCc2ccc(F)cc2)[C@@H](O)C1 ZINC000585286446 570255525 /nfs/dbraw/zinc/25/55/25/570255525.db2.gz ZVZPKTQPXIDNIT-UNMCSNQZSA-N 1 0 386.467 1.525 40 0 GDABRO CCOc1ccc(C[NH2+]C[C@]2(O)CN(C(=O)Cc3ccccc3)CC[C@H]2O)cc1 ZINC000585286477 570255700 /nfs/dbraw/zinc/25/57/00/570255700.db2.gz REGKBIWCOHPINU-GGAORHGYSA-N 1 0 398.503 1.742 40 0 GDABRO O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCOc2ccccc2)C1 ZINC000585290909 570259387 /nfs/dbraw/zinc/25/93/87/570259387.db2.gz HEKZYDXYHZLOCC-IRLDBZIGSA-N 1 0 384.476 1.222 40 0 GDABRO Cn1ccnc1COc1ccc(C[NH2+]C[C@@]2(O)CCN(c3ncccn3)C2)cc1 ZINC000257322421 570487343 /nfs/dbraw/zinc/48/73/43/570487343.db2.gz WFXABQDGPJGCDG-NRFANRHFSA-N 1 0 394.479 1.520 40 0 GDABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCN(Cc3ccc(OCCF)cc3)C2)CC1 ZINC000257277175 570488597 /nfs/dbraw/zinc/48/85/97/570488597.db2.gz NWTHTAXBZFQFCV-OAQYLSRUSA-N 1 0 393.503 1.572 40 0 GDABRO COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N1CCN(C)CC1 ZINC000224133457 570500191 /nfs/dbraw/zinc/50/01/91/570500191.db2.gz WVIFDFJKJIASBU-UHFFFAOYSA-N 1 0 395.525 1.186 40 0 GDABRO C[C@H]1C[C@H](C)C[NH+](CCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1 ZINC000225088420 570547937 /nfs/dbraw/zinc/54/79/37/570547937.db2.gz VTRPQUCVZIMZKB-GJZGRUSLSA-N 1 0 393.509 1.596 40 0 GDABRO C[C@@H]1C[NH+](C2CCN(Cc3cnc(N4CCOCC4)nc3)CC2)C[C@@H](C)O1 ZINC000036741486 570569211 /nfs/dbraw/zinc/56/92/11/570569211.db2.gz VHEUYKBDTVEUCD-IAGOWNOFSA-N 1 0 375.517 1.387 40 0 GDABRO Cc1ccc2cc(CN(CCO)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2c1C ZINC000004132293 570617376 /nfs/dbraw/zinc/61/73/76/570617376.db2.gz DFACWXYXHIOPBW-UHFFFAOYSA-N 1 0 390.553 1.765 40 0 GDABRO COCCNC(=S)N(CC[NH+](C)C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000004133484 570618057 /nfs/dbraw/zinc/61/80/57/570618057.db2.gz ZUYDLYFKLRGBBB-UHFFFAOYSA-N 1 0 376.526 1.721 40 0 GDABRO O=S(=O)(c1ccc(F)cc1)N1Cc2ccnn2C[C@@H](C[NH+]2CCCC2)C1 ZINC000247325215 570715107 /nfs/dbraw/zinc/71/51/07/570715107.db2.gz NEKAVNPGOBXPTJ-HNNXBMFYSA-N 1 0 378.473 1.939 40 0 GDABRO O=C(NCC[C@H]1C[N@H+](CC2CCOCC2)Cc2ccnn21)c1cscn1 ZINC000247505521 570715485 /nfs/dbraw/zinc/71/54/85/570715485.db2.gz RGUJLRPHEBCUFD-HNNXBMFYSA-N 1 0 375.498 1.943 40 0 GDABRO O=S(=O)(c1ccccc1)N1CCC2(CO[C@H](C[N@H+]3CCC[C@H](O)C3)C2)CC1 ZINC000585104263 570932889 /nfs/dbraw/zinc/93/28/89/570932889.db2.gz OWLXNXXDBHVGMK-ROUUACIJSA-N 1 0 394.537 1.703 40 0 GDABRO CCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000585106029 570935781 /nfs/dbraw/zinc/93/57/81/570935781.db2.gz GBBVHZMPSAOSMN-MSOLQXFVSA-N 1 0 391.537 1.606 40 0 GDABRO CCn1cc(C[N@@H+]2C[C@@H](C(=O)NCC3CCOCC3)C[C@H]3OCC[C@H]32)cn1 ZINC000585108714 570940644 /nfs/dbraw/zinc/94/06/44/570940644.db2.gz HEULEKRXGPWHHN-IPMKNSEASA-N 1 0 376.501 1.425 40 0 GDABRO CC[NH+]1CCN(c2nc([C@H](C)n3ncc4ccccc4c3=O)cc(=O)[nH]2)CC1 ZINC000019717523 571039899 /nfs/dbraw/zinc/03/98/99/571039899.db2.gz LLVHBDYNSLQJGH-AWEZNQCLSA-N 1 0 380.452 1.643 40 0 GDABRO COc1ccc(C(=O)NCCn2nc([C@@H]3CC[NH2+]C3)c3nccnc32)c(OC)c1 ZINC000019551982 210262043 /nfs/dbraw/zinc/26/20/43/210262043.db2.gz OZLDUYGEROUCTL-CYBMUJFWSA-N 1 0 396.451 1.350 40 0 GDABRO CCN1C[C@H](C(=O)N2CC[C@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)CC1=O ZINC000019526854 210256608 /nfs/dbraw/zinc/25/66/08/210256608.db2.gz DUZDSMPUWPHXOV-JKSUJKDBSA-N 1 0 398.511 1.177 40 0 GDABRO CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)C[N@H+]2CCC[C@@H](C)C2)C3)C1 ZINC000019496508 210253787 /nfs/dbraw/zinc/25/37/87/210253787.db2.gz SVTGZRKCDQSMKQ-SJLPKXTDSA-N 1 0 399.539 1.819 40 0 GDABRO C[C@H]1Cc2cc(C(=O)N3CC[C@H](c4nn(CC[NH3+])c5nccnc45)C3)ccc2O1 ZINC000019497894 210251786 /nfs/dbraw/zinc/25/17/86/210251786.db2.gz AMBQADZMYVFCLC-ZFWWWQNUSA-N 1 0 392.463 1.738 40 0 GDABRO O=c1cc([C@@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)nc(N2CCOCC2)[nH]1 ZINC000019292690 210239738 /nfs/dbraw/zinc/23/97/38/210239738.db2.gz DQQWJZOALBWVKF-CYBMUJFWSA-N 1 0 376.407 1.874 40 0 GDABRO Cc1ccc(C)c([C@H](O)CN2CCN(S(=O)(=O)N3CCCCC3)CC2)c1 ZINC000019132129 210228201 /nfs/dbraw/zinc/22/82/01/210228201.db2.gz ZJSRVVGXBMNAEZ-LJQANCHMSA-N 1 0 381.542 1.685 40 0 GDABRO COc1ccc(C)cc1CC(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21 ZINC000019133134 210227848 /nfs/dbraw/zinc/22/78/48/210227848.db2.gz BFPPTGTVOAGYTL-HNNXBMFYSA-N 1 0 394.479 1.579 40 0 GDABRO C[NH+]1CCN(CCCNC(=O)c2cccc(I)c2)CC1 ZINC000042298522 530628547 /nfs/dbraw/zinc/62/85/47/530628547.db2.gz DGIFVYBMMGANNG-UHFFFAOYSA-N 1 0 387.265 1.659 40 0 GDABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)CC ZINC000218202808 531027826 /nfs/dbraw/zinc/02/78/26/531027826.db2.gz NXLHIPYJIKYSSQ-IPYPFGDCSA-N 1 0 390.299 1.858 40 0 GDABRO Cc1ccc(Cl)cc1S(=O)(=O)N(CC[NH3+])[C@]1(C)CCS(=O)(=O)C1 ZINC000575426735 532013944 /nfs/dbraw/zinc/01/39/44/532013944.db2.gz ZCGCTRRAQDNUOU-CQSZACIVSA-N 1 0 380.919 1.175 40 0 GDABRO Cn1c2ncn(CC[NH2+][C@@H](c3ccccc3)c3cccnc3)c2c(=O)n(C)c1=O ZINC000001617135 209333913 /nfs/dbraw/zinc/33/39/13/209333913.db2.gz ALGBFNKBVNVSRQ-KRWDZBQOSA-N 1 0 390.447 1.208 40 0 GDABRO NC(=O)[C@@H]1CC(=O)N(c2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000072228542 212058902 /nfs/dbraw/zinc/05/89/02/212058902.db2.gz JOFLLBVZXYGCBN-GOSISDBHSA-N 1 0 378.476 1.847 40 0 GDABRO O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@]1(CC[N@H+](Cc3ccncc3)C1)C2 ZINC000306136786 212050486 /nfs/dbraw/zinc/05/04/86/212050486.db2.gz QDJAWMDWVIACGO-JOCHJYFZSA-N 1 0 389.459 1.297 40 0 GDABRO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2C[N@@H+](Cc4ccco4)C[C@@H]32)cc1 ZINC000306132679 212049953 /nfs/dbraw/zinc/04/99/53/212049953.db2.gz LPDLTNYVQUOLPW-FUHWJXTLSA-N 1 0 378.432 1.584 40 0 GDABRO COCCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2cccc(C)n2)CC1 ZINC000306126460 212045515 /nfs/dbraw/zinc/04/55/15/212045515.db2.gz DWMZAUUWSCXMTK-UHFFFAOYSA-N 1 0 398.511 1.586 40 0 GDABRO C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CN(C(=O)CCN3C(=O)NC(C)(C)C3=O)CC[C@H]21 ZINC000257288339 212018001 /nfs/dbraw/zinc/01/80/01/212018001.db2.gz PTUOTELWSXZGHD-KZNAEPCWSA-N 1 0 398.507 1.653 40 0 GDABRO COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cccnc3)[C@H]([NH+]3CCCC3)[C@H]2O)c1 ZINC000257258571 212013345 /nfs/dbraw/zinc/01/33/45/212013345.db2.gz KUPICTUEURXEBB-CGXNFDGLSA-N 1 0 397.475 1.865 40 0 GDABRO O=C(C[NH+]1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O)N1CCCCC1 ZINC000257239053 212009078 /nfs/dbraw/zinc/00/90/78/212009078.db2.gz HNSXEBALUGQAAP-QUCCMNQESA-N 1 0 385.508 1.703 40 0 GDABRO CNC(=O)c1sc2nc([C@@H]3CCCN3C(=O)C[NH+]3CCCC3)ccc2c1N ZINC000257228081 212006423 /nfs/dbraw/zinc/00/64/23/212006423.db2.gz FSFRGQURSPQMJO-AWEZNQCLSA-N 1 0 387.509 1.997 40 0 GDABRO COc1ccc(N(CCCC(=O)NCCC[NH+]2CCCC2)S(C)(=O)=O)cc1 ZINC000225227445 211888101 /nfs/dbraw/zinc/88/81/01/211888101.db2.gz VCDIJZKTFWSICE-UHFFFAOYSA-N 1 0 397.541 1.844 40 0 GDABRO C[C@@H]1CCC[N@H+](CCCNC(=O)CN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000225057747 211880068 /nfs/dbraw/zinc/88/00/68/211880068.db2.gz MFZGHPCMFBAPNH-QGZVFWFLSA-N 1 0 381.542 1.686 40 0 GDABRO CCn1nc(C)cc1C(=O)N1CCC[C@@]2(C[C@@H](C[NH+]3CCN(C)CC3)CO2)C1 ZINC000096228443 211321645 /nfs/dbraw/zinc/32/16/45/211321645.db2.gz ZMAHLKYGWCRYJN-GHTZIAJQSA-N 1 0 389.544 1.470 40 0 GDABRO COC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@@H]1c1ccco1 ZINC000019818101 210299786 /nfs/dbraw/zinc/29/97/86/210299786.db2.gz AJXMSBXQTUJINQ-ZWKOTPCHSA-N 1 0 396.447 1.414 40 0 GDABRO CC(=O)NC1(CC(=O)N2CCC[C@@H]2c2nnc3n2CC[NH2+]CC3)CCCCC1 ZINC000019710682 210286184 /nfs/dbraw/zinc/28/61/84/210286184.db2.gz MYWVYJVVNOPZGN-MRXNPFEDSA-N 1 0 388.516 1.316 40 0 GDABRO O=C(COc1ccccc1F)N1CC[C@@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000019748003 210291468 /nfs/dbraw/zinc/29/14/68/210291468.db2.gz AYQAQODVUJRMLW-MRXNPFEDSA-N 1 0 377.460 1.655 40 0 GDABRO Cc1cccc(CS(=O)(=O)N2CCC[C@@H]2c2nnc3n2CC[NH2+]CC3)c1 ZINC000019710803 210286379 /nfs/dbraw/zinc/28/63/79/210286379.db2.gz PEFTVZGAFVQPJJ-MRXNPFEDSA-N 1 0 375.498 1.399 40 0 GDABRO Cc1cc(S(=O)(=O)N2CCc3nnc(C4CC[NH2+]CC4)n3CC2)ccc1F ZINC000019708951 210283496 /nfs/dbraw/zinc/28/34/96/210283496.db2.gz BIHLFIOGQRVTIR-UHFFFAOYSA-N 1 0 393.488 1.440 40 0 GDABRO Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H]1c1nnc2n1CC[N@@H+](C)CC2 ZINC000019706346 210283264 /nfs/dbraw/zinc/28/32/64/210283264.db2.gz ZASLGVOLHYZUJX-HNNXBMFYSA-N 1 0 393.488 1.739 40 0 GDABRO Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCC[N@@H+]2CCC(=O)N2CCOCC2)n1 ZINC000019690931 210282247 /nfs/dbraw/zinc/28/22/47/210282247.db2.gz JSEYLMXXSVNAJD-IBGZPJMESA-N 1 0 396.495 1.815 40 0 GDABRO CCc1ncc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccc(CNC(C)=O)cc3)C2)cn1 ZINC000019698698 210281729 /nfs/dbraw/zinc/28/17/29/210281729.db2.gz YADNXXULAYNKMC-MOPGFXCFSA-N 1 0 381.480 1.376 40 0 GDABRO Cc1nc(N2CCOCC2)nc2c1COC[C@]21CC[N@H+](Cc2cccnc2)C1 ZINC000096244566 136185735 /nfs/dbraw/zinc/18/57/35/136185735.db2.gz SENHXQLBTADGND-OAQYLSRUSA-N 1 0 381.480 1.691 40 0 GDABRO O=C(Nc1cccc(F)c1)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224322658 136206838 /nfs/dbraw/zinc/20/68/38/136206838.db2.gz ZDBNXKYMSJLRGV-UHFFFAOYSA-N 1 0 386.431 1.806 40 0 GDABRO O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(CN(Cc4ccc(F)cc4)C3)[N@@H+]2C1 ZINC000514290062 560030885 /nfs/dbraw/zinc/03/08/85/560030885.db2.gz SDXVPZMDIUTWJO-LEWJYISDSA-N 1 0 382.483 1.726 40 0 biogenic,in-vitro GDABRO C[N@H+](CCc1ccccc1)C[C@@H]1OC[C@H](NS(=O)(=O)c2ccsc2)[C@H]1O ZINC000514289068 560033231 /nfs/dbraw/zinc/03/32/31/560033231.db2.gz QNAPCKUVJSYNCT-OKZBNKHCSA-N 1 0 396.534 1.329 40 0 biogenic,in-vitro GDABRO COc1ccc(C(=O)N[C@H]2CO[C@@H](C[N@H+](C)CCc3ccccc3)[C@@H]2O)cc1 ZINC000514288798 560033913 /nfs/dbraw/zinc/03/39/13/560033913.db2.gz DGTSYNMUISJCLE-PCCBWWKXSA-N 1 0 384.476 1.728 40 0 biogenic,in-vitro GDABRO CN1CCN(Cc2nc(C3(O)CC[NH+](C4CCOCC4)CC3)cs2)CC1 ZINC000225472017 560043183 /nfs/dbraw/zinc/04/31/83/560043183.db2.gz XVXAPZUCIHOOAO-UHFFFAOYSA-N 1 0 380.558 1.353 40 0 biogenic,in-vitro GDABRO CC(C)[N@@H+]1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)N1CCc3ccccc31)N2C ZINC000035442398 560079329 /nfs/dbraw/zinc/07/93/29/560079329.db2.gz AZZPNXFOIDZDOQ-DSKINZAPSA-N 1 0 384.524 1.637 40 0 biogenic,in-vitro GDABRO COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[NH+]2CCCC2)cc1 ZINC000012602379 560213188 /nfs/dbraw/zinc/21/31/88/560213188.db2.gz LFAAIHKCVTVTGN-OKZBNKHCSA-N 1 0 393.553 1.780 40 0 biogenic,in-vitro GDABRO COCC(=O)N1CC[N@@H+](C2CCCC2)C[C@@](O)(COc2cccc(F)c2)C1 ZINC000585282484 570250070 /nfs/dbraw/zinc/25/00/70/570250070.db2.gz KYRPNPBUZDHQCM-FQEVSTJZSA-N 1 0 380.460 1.669 40 0 GDABRO CCOC(=O)N1CCC([N@@H+]2CC[C@H](O)[C@@](O)(COc3cccc(C)c3)C2)CC1 ZINC000585282704 570250986 /nfs/dbraw/zinc/25/09/86/570250986.db2.gz NAICVYOATJHUMD-FPOVZHCZSA-N 1 0 392.496 1.792 40 0 GDABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]CCc2ccccn2)[C@@H](O)C1 ZINC000585283216 570251461 /nfs/dbraw/zinc/25/14/61/570251461.db2.gz DHHVWXQWOYJAHF-ICSRJNTNSA-N 1 0 389.883 1.505 40 0 GDABRO COCC(=O)N1CC[N@@H+](C2CCCC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585284284 570253253 /nfs/dbraw/zinc/25/32/53/570253253.db2.gz WOOYHOMWZWSVOK-FQEVSTJZSA-N 1 0 398.450 1.808 40 0 GDABRO COc1ccccc1C[NH2+]C[C@@]1(O)CN(C(=O)CCc2ccccc2)CC[C@@H]1O ZINC000585284981 570254174 /nfs/dbraw/zinc/25/41/74/570254174.db2.gz MSOIBORIAIBSND-JTHBVZDNSA-N 1 0 398.503 1.742 40 0 GDABRO OCC[C@H]1CN2CCC[C@@H]2C[N@@H+]1CC1(O)CCN(c2ccccc2F)CC1 ZINC000585285317 570254921 /nfs/dbraw/zinc/25/49/21/570254921.db2.gz XKIOOVIACYMMGX-MSOLQXFVSA-N 1 0 377.504 1.688 40 0 GDABRO CCOC(=O)N1CCC(O)(C[N@@H+]2CCCC[C@@H]3CN(C(C)=O)CC[C@@H]32)CC1 ZINC000585287543 570258609 /nfs/dbraw/zinc/25/86/09/570258609.db2.gz YTDCNLWAEHWXAC-MSOLQXFVSA-N 1 0 381.517 1.693 40 0 GDABRO Cc1cc(N2CC[C@@](O)(C[NH2+]Cc3cccc(CN4CCOCC4)c3)C2)ncn1 ZINC000257250895 570487818 /nfs/dbraw/zinc/48/78/18/570487818.db2.gz JOMGYUBVIAARHN-JOCHJYFZSA-N 1 0 397.523 1.348 40 0 GDABRO COc1cc(CN2CCC[C@]2(C)C(=O)NCCO)ccc1OCC[NH+](C)C ZINC000257246582 570488242 /nfs/dbraw/zinc/48/82/42/570488242.db2.gz IUTIYTOFHLGICM-HXUWFJFHSA-N 1 0 379.501 1.099 40 0 GDABRO C[N@H+](Cc1ccc(OCCCO)cc1)C[C@@]1(O)CCCN(c2ncccn2)C1 ZINC000257286936 570488859 /nfs/dbraw/zinc/48/88/59/570488859.db2.gz PNSFYTIORLZFQB-NRFANRHFSA-N 1 0 386.496 1.701 40 0 GDABRO Cc1cc(C)c2[nH]c(=O)c(CN(CCO)C(=S)NCCC[NH+](C)C)cc2c1 ZINC000004132708 570617749 /nfs/dbraw/zinc/61/77/49/570617749.db2.gz YKYZFXSJXWPRMJ-UHFFFAOYSA-N 1 0 390.553 1.765 40 0 GDABRO COC[C@H]1CN(S(=O)(=O)C2CC2)CC12CC[NH+](Cc1cccnc1)CC2 ZINC000247816071 570715987 /nfs/dbraw/zinc/71/59/87/570715987.db2.gz BEIZEMYCOTXFTN-QGZVFWFLSA-N 1 0 379.526 1.734 40 0 GDABRO COC[C@@H]1CN(S(=O)(=O)C2CC2)CC12CC[NH+](Cc1cccnc1)CC2 ZINC000247816069 570716169 /nfs/dbraw/zinc/71/61/69/570716169.db2.gz BEIZEMYCOTXFTN-KRWDZBQOSA-N 1 0 379.526 1.734 40 0 GDABRO Cc1cc(C[N@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)C4CC(O)C4)[C@H]3C2)n(C)n1 ZINC000585109819 570938632 /nfs/dbraw/zinc/93/86/32/570938632.db2.gz WZLDBBSEFGLGHV-BDDYBESOSA-N 1 0 380.492 1.886 40 0 GDABRO COc1cccc(C[N@@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)c1OC ZINC000019568070 210265891 /nfs/dbraw/zinc/26/58/91/210265891.db2.gz BOKWCOZTGJCJFB-UHFFFAOYSA-N 1 0 384.480 1.988 40 0 GDABRO COc1ccc(OCC(=O)N2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1 ZINC000019556705 210260469 /nfs/dbraw/zinc/26/04/69/210260469.db2.gz DOGXLQJZURVMGG-CQSZACIVSA-N 1 0 396.451 1.189 40 0 GDABRO CCOCc1ccc(C(=O)N2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1 ZINC000019531200 210260098 /nfs/dbraw/zinc/26/00/98/210260098.db2.gz ULEZHXHFFCEZCS-QGZVFWFLSA-N 1 0 394.479 1.951 40 0 GDABRO C[N@@H+]1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)C[C@@H]2CC(C)(C)OC2=O)C3)C1 ZINC000019460949 210250679 /nfs/dbraw/zinc/25/06/79/210250679.db2.gz WFJXFSUGYKFXCX-HUUCEWRRSA-N 1 0 386.496 1.902 40 0 GDABRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCCC3)C2)cc1 ZINC000193443392 231028494 /nfs/dbraw/zinc/02/84/94/231028494.db2.gz 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212050935 /nfs/dbraw/zinc/05/09/35/212050935.db2.gz OYAPDZFROAXFET-IBGZPJMESA-N 1 0 388.493 1.757 40 0 GDABRO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2C[N@@H+](Cc4ccccn4)C[C@H]32)cc1 ZINC000306136707 212050735 /nfs/dbraw/zinc/05/07/35/212050735.db2.gz QAVGTZUUWDIAJZ-HKUYNNGSSA-N 1 0 389.459 1.386 40 0 GDABRO O=S(=O)(c1cn[nH]c1)N1CCC[C@@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257342233 212027575 /nfs/dbraw/zinc/02/75/75/212027575.db2.gz ZNRUJYUKNBQZQZ-AWEZNQCLSA-N 1 0 378.445 1.047 40 0 GDABRO CCOCC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1 ZINC000257333289 212025266 /nfs/dbraw/zinc/02/52/66/212025266.db2.gz YAYYMBTZUSCURH-KCZVDYSFSA-N 1 0 390.524 1.713 40 0 GDABRO C[NH+](C)CCCNc1nc(NC(=O)c2ccc(N)cc2)cc(-c2ccccn2)n1 ZINC000329048492 209159032 /nfs/dbraw/zinc/15/90/32/209159032.db2.gz ULFGTJUOPCBMTA-UHFFFAOYSA-N 1 0 391.479 1.581 40 0 GDABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3ccc(C)nc3)CC2)CC1 ZINC000257212715 212003391 /nfs/dbraw/zinc/00/33/91/212003391.db2.gz 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COc1ccc(S(=O)(=O)N2Cc3ccnn3C[C@@H](CC[NH+](C)C)C2)cc1 ZINC000248156600 211981691 /nfs/dbraw/zinc/98/16/91/211981691.db2.gz ZJRPUEYAIDADRD-HNNXBMFYSA-N 1 0 378.498 1.664 40 0 GDABRO C[NH+](C)CCCNC(=O)c1nn(-c2ccccc2)c2c1CS(=O)(=O)CC2 ZINC000041070513 211392445 /nfs/dbraw/zinc/39/24/45/211392445.db2.gz VWYQSQQRNTZDFV-UHFFFAOYSA-N 1 0 376.482 1.025 40 0 GDABRO COCC[N@H+](C)C[C@@H]1CO[C@@]2(C1)CCCN(C(=O)CCc1cccnc1)C2 ZINC000096228495 211321833 /nfs/dbraw/zinc/32/18/33/211321833.db2.gz FEFKLYICLADAHV-TZIWHRDSSA-N 1 0 375.513 1.990 40 0 GDABRO O=C(c1cnn2cccnc12)N1CCC[C@@]2(C[C@@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096075590 211299022 /nfs/dbraw/zinc/29/90/22/211299022.db2.gz WPXNLNCLNINSJM-OXJNMPFZSA-N 1 0 385.468 1.073 40 0 GDABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(S(C)(=O)=O)CC3 ZINC000096143896 211307605 /nfs/dbraw/zinc/30/76/05/211307605.db2.gz HOAKAJOJSJHVMT-QFBILLFUSA-N 1 0 383.558 1.383 40 0 GDABRO COC[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)CC[N@H+](CCc2ccccc2)C1 ZINC000072354520 211099134 /nfs/dbraw/zinc/09/91/34/211099134.db2.gz OSWFSTNRMVKNNW-GOSISDBHSA-N 1 0 384.480 1.043 40 0 GDABRO C[NH+](C)CCCN1CN=C2N[C@@H](c3cccnc3)n3c4ccccc4nc3N2C1 ZINC000020638647 210353408 /nfs/dbraw/zinc/35/34/08/210353408.db2.gz AGOPFAPPASPJIM-LJQANCHMSA-N 1 0 390.495 1.926 40 0 GDABRO COc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3nnc4n3CCNC4)C1)OCCO2 ZINC000019711016 210286048 /nfs/dbraw/zinc/28/60/48/210286048.db2.gz XDINZWMTLLYQPR-CQSZACIVSA-N 1 0 385.468 1.541 40 0 GDABRO C[NH+](C)CC(=O)N1CCC(c2ccc(C(=O)NCc3ccccc3)c(N)n2)CC1 ZINC000019754041 210293318 /nfs/dbraw/zinc/29/33/18/210293318.db2.gz CSZQYMBJDDSBJR-UHFFFAOYSA-N 1 0 395.507 1.861 40 0 GDABRO O=C(Cc1ccccc1F)Nc1cnn(CC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000019749485 210293333 /nfs/dbraw/zinc/29/33/33/210293333.db2.gz RDUIRSUVOYNAAX-GOSISDBHSA-N 1 0 399.470 1.900 40 0 GDABRO CC(=O)N[C@H]1Cc2ccc(S(=O)(=O)NCCC[NH+]3CCCCCC3)cc2C1 ZINC000019749470 210292914 /nfs/dbraw/zinc/29/29/14/210292914.db2.gz YNEMSMSRLLOJED-IBGZPJMESA-N 1 0 393.553 1.834 40 0 GDABRO Cc1cc(NC(=O)Cn2cc(C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)ccc2=O)no1 ZINC000019749209 210292546 /nfs/dbraw/zinc/29/25/46/210292546.db2.gz GRKWOAPSPFQDTC-MRXNPFEDSA-N 1 0 399.451 1.094 40 0 GDABRO Cc1ccc(S(=O)(=O)N2CCC(c3nnc4n3CC[N@@H+](C)CC4)CC2)cc1 ZINC000019709434 210284477 /nfs/dbraw/zinc/28/44/77/210284477.db2.gz NTRCCLMYOGNPHN-UHFFFAOYSA-N 1 0 389.525 1.643 40 0 GDABRO CC1CC[NH+](CC2(NC(=O)CN(C)[C@H]3CCS(=O)(=O)C3)CCCCC2)CC1 ZINC000019655268 210277773 /nfs/dbraw/zinc/27/77/73/210277773.db2.gz ZWESWQIIOAXDOH-SFHVURJKSA-N 1 0 399.601 1.656 40 0 GDABRO Cc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cn[nH+]3)CC2)cc1C ZINC000224313743 136206705 /nfs/dbraw/zinc/20/67/05/136206705.db2.gz ZRZOWJGECIDSLS-UHFFFAOYSA-N 1 0 375.498 1.670 40 0 GDABRO O=C(c1c(F)cccc1F)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224318316 136206742 /nfs/dbraw/zinc/20/67/42/136206742.db2.gz DEQBMPXNCXMNPC-UHFFFAOYSA-N 1 0 389.406 1.554 40 0 GDABRO COCC[NH+](CCOC)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)Nc2ccccc2)O1 ZINC000030879005 560090081 /nfs/dbraw/zinc/09/00/81/560090081.db2.gz MGSOUGKHNIMKCN-FHWLQOOXSA-N 1 0 380.485 1.519 40 0 biogenic,in-vitro GDABRO COC(=O)[C@@H]1Cc2ncn(C(C)C)c2CN1S(=O)(=O)Cc1ccccc1 ZINC000015676506 560095616 /nfs/dbraw/zinc/09/56/16/560095616.db2.gz HYTQLSTXVMRXJK-INIZCTEOSA-N 1 0 377.466 1.894 40 0 biogenic,in-vitro GDABRO Nc1cccc(-c2cn(C[C@H]3C[C@H]4CC[N@@H+]3C[C@@H]4C(=O)N3CCOCC3)nn2)c1 ZINC000008254315 560208047 /nfs/dbraw/zinc/20/80/47/560208047.db2.gz XYFGCNBBVHVKDS-LZQZEXGQSA-N 1 0 396.495 1.097 40 0 biogenic,in-vitro GDABRO COc1cccc(C(=O)N2C[C@@H]3COCCN3C3(C[NH+](CCC(C)C)C3)C2)c1 ZINC000604382639 570353825 /nfs/dbraw/zinc/35/38/25/570353825.db2.gz WMYFRDOXBPAHBV-LJQANCHMSA-N 1 0 387.524 1.952 40 0 biogenic,in-vitro GDABRO COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCC[NH+](C)C ZINC000224076992 570497212 /nfs/dbraw/zinc/49/72/12/570497212.db2.gz IIJXUWLDGQLCLG-UHFFFAOYSA-N 1 0 397.541 1.480 40 0 GDABRO O=C(NCCC[NH+]1CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000007923183 570520197 /nfs/dbraw/zinc/52/01/97/570520197.db2.gz NMBDIKOXOVBMHI-UHFFFAOYSA-N 1 0 395.525 1.313 40 0 GDABRO CS(=O)(=O)N1CC=C[C@H]1C(=O)NC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000012201761 570624896 /nfs/dbraw/zinc/62/48/96/570624896.db2.gz ZZAFMKRINOJAIS-KRWDZBQOSA-N 1 0 381.473 1.106 40 0 GDABRO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)COc2ccccc2)CC1 ZINC000585106068 570935977 /nfs/dbraw/zinc/93/59/77/570935977.db2.gz IVNLTTCODKDOET-MOPGFXCFSA-N 1 0 385.508 1.760 40 0 GDABRO COc1ccc(CC(=O)NCCn2nc([C@H]3CC[NH2+]C3)c3nccnc32)cc1 ZINC000019554399 210260999 /nfs/dbraw/zinc/26/09/99/210260999.db2.gz QTVDUFFWSDHFAW-HNNXBMFYSA-N 1 0 380.452 1.271 40 0 GDABRO CC[NH+]1CCN(c2nc([C@H]3CC(=O)N(Cc4ccccc4)C3)cc(=O)[nH]2)CC1 ZINC000019528236 210258046 /nfs/dbraw/zinc/25/80/46/210258046.db2.gz AHBCLHFDPKWQEA-KRWDZBQOSA-N 1 0 381.480 1.840 40 0 GDABRO CCn1nc(C)c(C[N@@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)c1C ZINC000019523838 210255917 /nfs/dbraw/zinc/25/59/17/210255917.db2.gz GYDKOHNKCKKQMG-UHFFFAOYSA-N 1 0 386.500 1.453 40 0 GDABRO CCOc1ccccc1C(=O)N1CC[C@@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019520029 210255492 /nfs/dbraw/zinc/25/54/92/210255492.db2.gz UTADBDUXVYHETK-CQSZACIVSA-N 1 0 380.452 1.813 40 0 GDABRO O=C(CCn1c(=O)oc2ccccc21)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019376633 210245551 /nfs/dbraw/zinc/24/55/51/210245551.db2.gz USVCEPGXXPGPBB-QGZVFWFLSA-N 1 0 393.447 1.784 40 0 GDABRO O=C(CCn1c(=O)oc2ccccc21)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019376634 210245627 /nfs/dbraw/zinc/24/56/27/210245627.db2.gz USVCEPGXXPGPBB-KRWDZBQOSA-N 1 0 393.447 1.784 40 0 GDABRO C[C@@H](Oc1cccc(F)c1)C(=O)N1CC[C@@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019077562 210223800 /nfs/dbraw/zinc/22/38/00/210223800.db2.gz TYELZKUGZVVYQU-ZIAGYGMSSA-N 1 0 398.442 1.708 40 0 GDABRO C[C@H](C(=O)N1CC[C@@H](c2nn(CC[NH+](C)C)c3ncccc23)C1)N1CCCC1=O ZINC000019077592 210223688 /nfs/dbraw/zinc/22/36/88/210223688.db2.gz GRCVEONNVOVGTJ-HZPDHXFCSA-N 1 0 398.511 1.320 40 0 GDABRO CCOc1ccc(N([C@H](C)C(=O)NCCC[NH+]2CCCC2)S(C)(=O)=O)cc1 ZINC000010450087 209860024 /nfs/dbraw/zinc/86/00/24/209860024.db2.gz GWWWYCUXQGBBCJ-MRXNPFEDSA-N 1 0 397.541 1.842 40 0 GDABRO O=C(NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1)c1ccco1 ZINC000012422833 209190998 /nfs/dbraw/zinc/19/09/98/209190998.db2.gz VSIBLRKVKZCWHC-UHFFFAOYSA-N 1 0 391.493 1.200 40 0 GDABRO COC(=O)c1ccc(/C=C2\SC(=O)N(CC(=O)NCC[NH+](C)C)C2=O)cc1 ZINC000054360971 212059051 /nfs/dbraw/zinc/05/90/51/212059051.db2.gz AJOHTEPAPRDQJB-UVTDQMKNSA-N 1 0 391.449 1.187 40 0 GDABRO O=C(c1ccco1)N1CCc2nc3n(c(=O)c2C1)CC[C@]31CC[N@H+](CC2CC2)C1 ZINC000306137564 212052790 /nfs/dbraw/zinc/05/27/90/212052790.db2.gz QZXSFYMQSCADBU-QFIPXVFZSA-N 1 0 394.475 1.792 40 0 GDABRO COc1ccc(C[N@@H+]2CC[C@H](c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)cc1 ZINC000257275146 212016694 /nfs/dbraw/zinc/01/66/94/212016694.db2.gz NOBQEUCOLARLKS-HNNXBMFYSA-N 1 0 380.448 1.630 40 0 GDABRO C[NH+](C)CCCNc1nc(NC(=O)c2ccc(N)cc2)cc(-c2ccncc2)n1 ZINC000329020850 209158400 /nfs/dbraw/zinc/15/84/00/209158400.db2.gz ODZFQQCQLNFGOG-UHFFFAOYSA-N 1 0 391.479 1.581 40 0 GDABRO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CC[N@@H+](C1CCOCC1)C2 ZINC000257247002 212010680 /nfs/dbraw/zinc/01/06/80/212010680.db2.gz IWXLHVADCZMNAN-YPAWHYETSA-N 1 0 385.508 1.966 40 0 GDABRO COCC(=O)N1CC[C@@H](c2c3cccnc3sc2C(=O)NCC[NH+](C)C)C1 ZINC000257242991 212008522 /nfs/dbraw/zinc/00/85/22/212008522.db2.gz IFCOVRATVZHXAA-CYBMUJFWSA-N 1 0 390.509 1.550 40 0 GDABRO C[NH+](C)CCNc1nc(NC(=O)c2ccc(N)cc2)cc(-c2ccccn2)n1 ZINC000329008992 209155819 /nfs/dbraw/zinc/15/58/19/209155819.db2.gz LUDFHBQVCJIZFW-UHFFFAOYSA-N 1 0 377.452 1.190 40 0 GDABRO CN1CC[C@]2(CN(c3ncccn3)CC23CC[NH+](Cc2cccnc2)CC3)C1=O ZINC000097952867 211372989 /nfs/dbraw/zinc/37/29/89/211372989.db2.gz HZIQRVFHMHQFOP-QFIPXVFZSA-N 1 0 392.507 1.823 40 0 GDABRO CC(=O)N1CCN(c2ccc3ccc(C(=O)N4CC[C@H]([NH+](C)C)C4)cn32)CC1 ZINC000096155979 211313793 /nfs/dbraw/zinc/31/37/93/211313793.db2.gz ICZYMFQQDSPYJG-IBGZPJMESA-N 1 0 383.496 1.384 40 0 GDABRO CN(C)C(=O)N1CC[C@@H](c2nnc3ccc(C(=O)NCC[NH+]4CCCC4)cn32)C1 ZINC000096156242 211312879 /nfs/dbraw/zinc/31/28/79/211312879.db2.gz LVPXRHYDSAENAF-OAHLLOKOSA-N 1 0 399.499 1.026 40 0 GDABRO Cn1cc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CCCC2)Cn2ccnc23)cn1 ZINC000096243686 211324301 /nfs/dbraw/zinc/32/43/01/211324301.db2.gz VAFRFROQVSXFQQ-KRWDZBQOSA-N 1 0 384.484 1.129 40 0 GDABRO CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@H+](Cc1ccc(C)s1)C2 ZINC000096230557 211321908 /nfs/dbraw/zinc/32/19/08/211321908.db2.gz TXQBZPKGFBEWOI-LJQANCHMSA-N 1 0 387.509 1.630 40 0 GDABRO CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1CN(C(=O)COC)CCC2 ZINC000096056095 211297975 /nfs/dbraw/zinc/29/79/75/211297975.db2.gz FISCWRQAJSCWKK-UTKZUKDTSA-N 1 0 389.496 1.640 40 0 GDABRO CC(C)CNC(=O)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccccn3)CC2)O1 ZINC000096036780 211294269 /nfs/dbraw/zinc/29/42/69/211294269.db2.gz FDVFEBHBUFUUAM-GOSISDBHSA-N 1 0 383.496 1.940 40 0 GDABRO C[N@@H+]1CCn2c(nnc2[C@H]2CCCN2C(=O)COc2ccc(F)cc2F)C1 ZINC000072373929 211102125 /nfs/dbraw/zinc/10/21/25/211102125.db2.gz FNFKVNLPSSLRNH-CQSZACIVSA-N 1 0 377.395 1.744 40 0 GDABRO Cc1nn(CC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)c(=O)c2cc3occc3n21 ZINC000072346389 211094566 /nfs/dbraw/zinc/09/45/66/211094566.db2.gz HEWKCTYGRPLBMV-CQSZACIVSA-N 1 0 385.468 1.789 40 0 GDABRO CCOc1ccc(C(=O)N2CCN(c3cn[nH+]c(N4CCOCC4)c3)CC2)cc1 ZINC000224328332 136206813 /nfs/dbraw/zinc/20/68/13/136206813.db2.gz SCSWSKCOWGGJGJ-UHFFFAOYSA-N 1 0 397.479 1.674 40 0 GDABRO O=C(c1ccc(F)cc1F)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224330083 136206895 /nfs/dbraw/zinc/20/68/95/136206895.db2.gz FXBVHHIDJGOWNP-UHFFFAOYSA-N 1 0 389.406 1.554 40 0 GDABRO COCCNC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)CN(C)C(=O)C1 ZINC000096113437 560061377 /nfs/dbraw/zinc/06/13/77/560061377.db2.gz CKCVTZRTZWMKCH-SJLPKXTDSA-N 1 0 379.476 1.695 40 0 biogenic,in-vitro GDABRO O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]Cc2ccc(F)cc2)C1 ZINC000585284394 570253290 /nfs/dbraw/zinc/25/32/90/570253290.db2.gz KTHMTAVOEYHIFG-RBBKRZOGSA-N 1 0 386.467 1.872 40 0 GDABRO O=C(Cc1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]CCc2cccc(F)c2)C1 ZINC000585285697 570255058 /nfs/dbraw/zinc/25/50/58/570255058.db2.gz SECOTKCPQAXCBZ-RBBKRZOGSA-N 1 0 386.467 1.525 40 0 GDABRO COCC(=O)N1CC[N@@H+](C2CCCC2)C[C@@](O)(COc2cccc(F)c2F)C1 ZINC000585287808 570258872 /nfs/dbraw/zinc/25/88/72/570258872.db2.gz SFTQQFAIRWABTN-FQEVSTJZSA-N 1 0 398.450 1.808 40 0 GDABRO CCOC(=O)C1=C(O)NC(N2CCN(C)CC2)=[NH+][C@@H]1c1cccc(Cl)c1 ZINC000020801674 570281574 /nfs/dbraw/zinc/28/15/74/570281574.db2.gz FLIOQZPDDXMGML-HUUCEWRRSA-N 1 0 378.860 1.294 40 0 GDABRO CCS(=O)(=O)[C@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@]1(C[NH3+])NC(=O)OC(C)(C)C ZINC000218145536 570326304 /nfs/dbraw/zinc/32/63/04/570326304.db2.gz BKVJLJWQXUGJDA-RVKKMQEKSA-N 1 0 398.481 1.538 40 0 GDABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2ccccn2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382648 570353871 /nfs/dbraw/zinc/35/38/71/570353871.db2.gz WYKAQZIDVXCQOC-XRXFAXGQSA-N 1 0 391.475 1.624 40 0 biogenic,in-vitro GDABRO Cc1cccc2c1[C@@H](NC1=CC(C(=O)N(C)CCO)=CN3C[C@H](C)[NH+]=C13)CCO2 ZINC000521205775 570439908 /nfs/dbraw/zinc/43/99/08/570439908.db2.gz RMKJHJRLZXGKEN-RDJZCZTQSA-N 1 0 396.491 1.743 40 0 GDABRO CCS(=O)(=O)N1C[C@@H](C(=O)NCC[NH+]2CCCCC2)Oc2ccccc21 ZINC000026112945 570450197 /nfs/dbraw/zinc/45/01/97/570450197.db2.gz QMNZRLKAOITYEB-KRWDZBQOSA-N 1 0 381.498 1.206 40 0 GDABRO CNc1cc(N2CC[C@](O)(C[N@H+](C)Cc3ccc(OCCF)cc3)C2)ncn1 ZINC000257204241 570487124 /nfs/dbraw/zinc/48/71/24/570487124.db2.gz ATRSITYNALHSEQ-FQEVSTJZSA-N 1 0 389.475 1.940 40 0 GDABRO CC[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 ZINC000035311629 570551263 /nfs/dbraw/zinc/55/12/63/570551263.db2.gz JYHLBOXYECLCHK-UHFFFAOYSA-N 1 0 395.525 1.248 40 0 GDABRO COc1ccc(NC(=O)[C@H]2C[C@@H]([C@H](C)O)[NH2+][C@]23C(=O)Nc2ccccc23)cc1 ZINC000035877651 570558764 /nfs/dbraw/zinc/55/87/64/570558764.db2.gz JXRAZCDBRRPSJV-VMUQWNDESA-N 1 0 381.432 1.840 40 0 GDABRO Cc1cc2cc(CN(CCO)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2cc1C ZINC000004132959 570618258 /nfs/dbraw/zinc/61/82/58/570618258.db2.gz KZFUBNAROGKGMG-UHFFFAOYSA-N 1 0 390.553 1.765 40 0 GDABRO COc1cccc(C2(O)CCN(CCNC(=O)C[NH+]3CCCCC3)CC2)c1 ZINC000012326296 570643347 /nfs/dbraw/zinc/64/33/47/570643347.db2.gz WIXDUOOOABRTQD-UHFFFAOYSA-N 1 0 375.513 1.581 40 0 GDABRO C[NH+](C)CCC(=O)N1Cc2cncn2[C@@H](C(=O)NCCc2cccs2)C1 ZINC000585096101 570922797 /nfs/dbraw/zinc/92/27/97/570922797.db2.gz RJLJISNGJYIWBU-MRXNPFEDSA-N 1 0 375.498 1.139 40 0 GDABRO O=S(=O)(c1ccccn1)N1CCC2(CO[C@H](C[N@H+]3CCC[C@H]3CO)C2)CC1 ZINC000585104850 570934038 /nfs/dbraw/zinc/93/40/38/570934038.db2.gz UJXOWROJDWRUDN-IRXDYDNUSA-N 1 0 395.525 1.098 40 0 GDABRO O=C(c1cc(C2CC2)on1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC3CC3)C[C@@H]12 ZINC000585106046 570935998 /nfs/dbraw/zinc/93/59/98/570935998.db2.gz HKYNRJKCPVHYKL-CVEARBPZSA-N 1 0 384.480 1.615 40 0 GDABRO [NH3+]CCn1nc([C@H]2CCN(C(=O)[C@@H]3OCCc4ccccc43)C2)c2nccnc21 ZINC000019375437 210246183 /nfs/dbraw/zinc/24/61/83/210246183.db2.gz KRVHRECAGNVMNX-HNAYVOBHSA-N 1 0 392.463 1.415 40 0 GDABRO O=C(COc1ccc(F)cc1)NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21 ZINC000019346765 210243724 /nfs/dbraw/zinc/24/37/24/210243724.db2.gz ZRMISRSFKZDTBG-CQSZACIVSA-N 1 0 383.427 1.843 40 0 GDABRO O=c1ccc(-c2cccs2)nn1CC1(O)CC[NH+](C[C@H]2CCOC2)CC1 ZINC000019344514 210241192 /nfs/dbraw/zinc/24/11/92/210241192.db2.gz ZUIZHSMZBWSXBV-OAHLLOKOSA-N 1 0 375.494 1.835 40 0 GDABRO Cc1ccc(O[C@@H](C)C(=O)NCCn2nc([C@H]3CC[NH2+]C3)c3nccnc32)cc1 ZINC000019210951 210231508 /nfs/dbraw/zinc/23/15/08/210231508.db2.gz KECWDJWNAKONLK-HOTGVXAUSA-N 1 0 394.479 1.795 40 0 GDABRO Cc1ccc(C(=O)N2CCC(O)CC2)c(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000019134521 210226786 /nfs/dbraw/zinc/22/67/86/210226786.db2.gz UUFKVIPRLHPEBR-UHFFFAOYSA-N 1 0 398.463 1.542 40 0 GDABRO C[C@H](Oc1ccccc1F)C(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21 ZINC000019080310 210224398 /nfs/dbraw/zinc/22/43/98/210224398.db2.gz VIAFFPDTWNOOKI-UONOGXRCSA-N 1 0 398.442 1.626 40 0 GDABRO C[C@@H](Oc1ccc(F)cc1)C(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21 ZINC000019080283 210223884 /nfs/dbraw/zinc/22/38/84/210223884.db2.gz LYMPZBNZUJAQME-ZIAGYGMSSA-N 1 0 398.442 1.626 40 0 GDABRO CC(=O)N1CC[C@H](c2nn(CCNC(=O)C[NH+]3CCCCC3)c3ncccc23)C1 ZINC000019016546 210222324 /nfs/dbraw/zinc/22/23/24/210222324.db2.gz SKZBEGNXZSDQRD-KRWDZBQOSA-N 1 0 398.511 1.369 40 0 GDABRO C[NH+](C)CCCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000010111406 530551773 /nfs/dbraw/zinc/55/17/73/530551773.db2.gz WBLNFSKLFJEMAW-UHFFFAOYSA-N 1 0 382.313 1.827 40 0 GDABRO C[NH+](C)CCCNC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000010111387 530552086 /nfs/dbraw/zinc/55/20/86/530552086.db2.gz VTCNNMYAHPFLHQ-UHFFFAOYSA-N 1 0 392.319 1.283 40 0 GDABRO Cn1cc(C[N@@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(CC2CC2)C3=O)cn1 ZINC000306141605 212054465 /nfs/dbraw/zinc/05/44/65/212054465.db2.gz WBZWHEHJNBDGNE-PZJWPPBQSA-N 1 0 381.480 1.422 40 0 GDABRO O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@@]1(CC[N@H+](Cc3cccs3)C1)C2 ZINC000306133402 212049887 /nfs/dbraw/zinc/04/98/87/212049887.db2.gz MKIKCTHKYFHYSB-NRFANRHFSA-N 1 0 394.500 1.963 40 0 GDABRO C[NH+](C)CCN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)NC3CC3)CCO2)C1=O ZINC000306128443 212047043 /nfs/dbraw/zinc/04/70/43/212047043.db2.gz HAJWPXMPADZNPG-NQIIRXRSSA-N 1 0 386.496 1.117 40 0 GDABRO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccncc3)C[C@H]1C2 ZINC000306127585 212046917 /nfs/dbraw/zinc/04/69/17/212046917.db2.gz GCXMDUXXGYQLEY-MOPGFXCFSA-N 1 0 388.475 1.907 40 0 GDABRO Cn1cc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC000306132108 212048898 /nfs/dbraw/zinc/04/88/98/212048898.db2.gz KYOUZWLZCVUCEA-HUUCEWRRSA-N 1 0 395.442 1.707 40 0 GDABRO O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@]1(CC[N@H+](Cc3cccs3)C1)C2 ZINC000306133403 212048571 /nfs/dbraw/zinc/04/85/71/212048571.db2.gz MKIKCTHKYFHYSB-OAQYLSRUSA-N 1 0 394.500 1.963 40 0 GDABRO Cc1ccc(C[N@H+]2CC[C@@]3(CCn4c3nnc(-c3nccn3C)c4=O)C2)s1 ZINC000306127096 212045740 /nfs/dbraw/zinc/04/57/40/212045740.db2.gz FOJAFRPYZJWYAK-LJQANCHMSA-N 1 0 382.493 1.956 40 0 GDABRO O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1)c1ccn[nH]1 ZINC000257337263 212027751 /nfs/dbraw/zinc/02/77/51/212027751.db2.gz YSBCWNGQXDHDOB-JAXLGGSGSA-N 1 0 398.507 1.713 40 0 GDABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3ccccc3F)CC2)CC1 ZINC000257325777 212025620 /nfs/dbraw/zinc/02/56/20/212025620.db2.gz WUKGGVWFJJLCBL-NRFANRHFSA-N 1 0 391.487 1.783 40 0 GDABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@]3(Cc4c(nc(N)nc4N)O3)CC2)cc1 ZINC000257330173 212025641 /nfs/dbraw/zinc/02/56/41/212025641.db2.gz XNEVCNNDSOKWAL-HXUWFJFHSA-N 1 0 382.468 1.959 40 0 GDABRO Cc1nonc1CC(=O)N1CCC[C@](C)(C(=O)NCC2CC[NH+](C)CC2)C1 ZINC000257251273 212010636 /nfs/dbraw/zinc/01/06/36/212010636.db2.gz JQBPETPMJMEUFN-IBGZPJMESA-N 1 0 377.489 1.007 40 0 GDABRO COCC(=O)N1CCc2c(nc3cc(C4CC[NH+](CC5CC5)CC4)[n-]n3c2=O)C1 ZINC000100232736 211383584 /nfs/dbraw/zinc/38/35/84/211383584.db2.gz JVWWLFVQTNTGIC-UHFFFAOYSA-N 1 0 399.495 1.555 40 0 GDABRO 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ZINC000257229103 212007166 /nfs/dbraw/zinc/00/71/66/212007166.db2.gz FWRRZBWKBBBPJV-QFIPXVFZSA-N 1 0 395.507 1.834 40 0 GDABRO O=C(NCC[NH+]1CCCC1)C1=NO[C@]2(CCN(C(=O)Nc3ccccc3)C2)C1 ZINC000096225587 211319867 /nfs/dbraw/zinc/31/98/67/211319867.db2.gz ZHKCAGINQHNRRD-HXUWFJFHSA-N 1 0 385.468 1.651 40 0 GDABRO O=C([C@@H]1Cn2ccnc2C2(CC[NH+](CC3CCOCC3)CC2)O1)N1CCCC1 ZINC000096036851 211297384 /nfs/dbraw/zinc/29/73/84/211297384.db2.gz GUQQLTHKBCDCRZ-SFHVURJKSA-N 1 0 388.512 1.622 40 0 GDABRO CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccccn3)CC2)O1 ZINC000096036779 211294503 /nfs/dbraw/zinc/29/45/03/211294503.db2.gz FDVFEBHBUFUUAM-SFHVURJKSA-N 1 0 383.496 1.940 40 0 GDABRO C[N@@H+]1CC[C@@]2(C(=O)N3CCCC3)CCN(S(=O)(=O)c3ccccc3)CC[C@@H]12 ZINC000096145305 211308838 /nfs/dbraw/zinc/30/88/38/211308838.db2.gz ADXFVCIWAOQOHY-UYAOXDASSA-N 1 0 391.537 1.784 40 0 GDABRO C[NH+](C)CCN1[C@]2(CCN(Cc3ccncc3)C2)c2ccccc2S1(=O)=O ZINC000096143085 211308309 /nfs/dbraw/zinc/30/83/09/211308309.db2.gz 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ZINC000585285326 570254859 /nfs/dbraw/zinc/25/48/59/570254859.db2.gz XKIOOVIACYMMGX-ROUUACIJSA-N 1 0 377.504 1.688 40 0 GDABRO O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCc2ccc(F)cc2)C1 ZINC000585290448 570258246 /nfs/dbraw/zinc/25/82/46/570258246.db2.gz BIFTXSPVGHEWOW-IRLDBZIGSA-N 1 0 386.467 1.525 40 0 GDABRO CC(=O)N1CCC(N2CC3(C2)C[N@H+](Cc2ccccc2)C[C@@H]2COCCN23)CC1 ZINC000604381117 570352275 /nfs/dbraw/zinc/35/22/75/570352275.db2.gz DJQLXCUXDZWPOY-JOCHJYFZSA-N 1 0 398.551 1.268 40 0 biogenic,in-vitro GDABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2cccnc2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382625 570353641 /nfs/dbraw/zinc/35/36/41/570353641.db2.gz VVRZDHNBODOUJF-XRXFAXGQSA-N 1 0 391.475 1.624 40 0 biogenic,in-vitro GDABRO CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000224173821 570502233 /nfs/dbraw/zinc/50/22/33/570502233.db2.gz ABYBRTNRSXMXHE-UHFFFAOYSA-N 1 0 379.457 1.942 40 0 GDABRO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000224799638 570531352 /nfs/dbraw/zinc/53/13/52/570531352.db2.gz UTHHIOUHGMGVMF-LJQANCHMSA-N 1 0 393.553 1.960 40 0 GDABRO COC(=O)c1cc(NC(=S)NC[C@H]2CCC[N@H+](C)C2)cc(C(=O)OC)c1 ZINC000009876457 570562211 /nfs/dbraw/zinc/56/22/11/570562211.db2.gz BFULCAWKIYMWKH-GFCCVEGCSA-N 1 0 379.482 1.888 40 0 GDABRO CN(c1ccc(OCC(=O)NCCC[NH+]2CCCCC2)cc1)S(C)(=O)=O ZINC000225718280 570607825 /nfs/dbraw/zinc/60/78/25/570607825.db2.gz IBCXXNIVESTMEU-UHFFFAOYSA-N 1 0 383.514 1.453 40 0 GDABRO C[N@@H+]1CCc2nc3n(c(=O)c2C1)CCC31CCN(C(=O)c2ccnc(F)c2)CC1 ZINC000585105983 570935444 /nfs/dbraw/zinc/93/54/44/570935444.db2.gz YTDHMDZWOVMJLD-UHFFFAOYSA-N 1 0 397.454 1.343 40 0 GDABRO COc1ccc(CC(=O)NCC[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1 ZINC000524729052 570979528 /nfs/dbraw/zinc/97/95/28/570979528.db2.gz ARJMZVDACNTMIR-ZWKOTPCHSA-N 1 0 381.476 1.635 40 0 GDABRO C[N@H+](CCc1ccccc1)[C@H]1[C@@H](CNC(=O)c2cccs2)O[C@@H](CO)[C@H]1O ZINC000020465754 575367870 /nfs/dbraw/zinc/36/78/70/575367870.db2.gz AOXXBYFGFDVCPS-KCITZHQASA-N 1 0 390.505 1.142 40 0 biogenic,in-vitro GDABRO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCCC1)c1cocn1 ZINC000257324400 222775961 /nfs/dbraw/zinc/77/59/61/222775961.db2.gz WONBCAPVKRFLIJ-BGTYHANMSA-N 1 0 375.400 1.589 40 0 GDABRO O=C(CCC[NH+]1CCC2(CC(=O)N(N3CCOCC3)C2=O)CC1)c1ccccc1 ZINC000001641806 212251550 /nfs/dbraw/zinc/25/15/50/212251550.db2.gz QWQCBFNAWBDUED-UHFFFAOYSA-N 1 0 399.491 1.738 40 0 GDABRO C[NH+]1CCN(CCNc2cc(-c3ccncc3)nc(NC3CCCC3)n2)CC1 ZINC000329061763 212095297 /nfs/dbraw/zinc/09/52/97/212095297.db2.gz WTPUDMQYROJQNL-UHFFFAOYSA-N 1 0 381.528 1.396 40 0 GDABRO COc1ccc(C)cc1CC(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21 ZINC000019133130 221399364 /nfs/dbraw/zinc/39/93/64/221399364.db2.gz BFPPTGTVOAGYTL-OAHLLOKOSA-N 1 0 394.479 1.579 40 0 GDABRO CC(=O)N1CCc2nc(C3CCN(C(=O)C[NH+]4CCCCCC4)CC3)ncc2C1 ZINC000019018812 221395576 /nfs/dbraw/zinc/39/55/76/221395576.db2.gz SJJZAMRYJYMSEM-UHFFFAOYSA-N 1 0 399.539 1.963 40 0 GDABRO CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)[C@H](C)[NH+]1CCCCC1)C2 ZINC000019079313 221395715 /nfs/dbraw/zinc/39/57/15/221395715.db2.gz IZEKVUOHARMYHE-HNAYVOBHSA-N 1 0 385.512 1.919 40 0 GDABRO COc1cccc(OC)c1C(=O)N1CC[C@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019566858 221428631 /nfs/dbraw/zinc/42/86/31/221428631.db2.gz BSGCSHIXTVRGAH-ZDUSSCGKSA-N 1 0 396.451 1.432 40 0 GDABRO COc1ccc(CC(=O)N2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1C ZINC000019571015 221429176 /nfs/dbraw/zinc/42/91/76/221429176.db2.gz JQPTUFWJEZITNX-MRXNPFEDSA-N 1 0 394.479 1.661 40 0 GDABRO COc1ccccc1OCC(=O)N1CC[C@@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019571357 221429511 /nfs/dbraw/zinc/42/95/11/221429511.db2.gz RFKSRWAYXJSTJQ-CQSZACIVSA-N 1 0 396.451 1.189 40 0 GDABRO Cn1ncc2c1ncn(CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCCC1)c2=O ZINC000019662759 221438991 /nfs/dbraw/zinc/43/89/91/221438991.db2.gz NHOUTABLLURUQD-GOSISDBHSA-N 1 0 394.479 1.473 40 0 GDABRO CCc1nn(CC(=O)N2CC[NH+](C(C)C)CC2)c(=O)c2cc3sccc3n21 ZINC000072334625 222229716 /nfs/dbraw/zinc/22/97/16/222229716.db2.gz ZRNNHLILLIEITR-UHFFFAOYSA-N 1 0 387.509 1.826 40 0 GDABRO C[N@@H+]1CCn2c(nnc2[C@@H]2CCCN2C(=O)COc2ccc(F)cc2F)C1 ZINC000072373928 222243146 /nfs/dbraw/zinc/24/31/46/222243146.db2.gz FNFKVNLPSSLRNH-AWEZNQCLSA-N 1 0 377.395 1.744 40 0 GDABRO COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nnc3n2CC[N@@H+](C)C3)cc1 ZINC000072374023 222243414 /nfs/dbraw/zinc/24/34/14/222243414.db2.gz FNBZPLSXVYRYAK-MRXNPFEDSA-N 1 0 391.497 1.648 40 0 GDABRO Cc1ccc2c(c1)CN(C(=O)Cn1cccnc1=O)CC1(CC[NH+](C)CC1)O2 ZINC000072394156 222250227 /nfs/dbraw/zinc/25/02/27/222250227.db2.gz HJLSMOVXKZOWHI-UHFFFAOYSA-N 1 0 382.464 1.437 40 0 GDABRO CCOC(=O)[C@@]12C[N@H+](CCN(C)C)C[C@@H]1CN(C(=O)c1ccoc1)CCC2 ZINC000096055943 222374747 /nfs/dbraw/zinc/37/47/47/222374747.db2.gz VHYPPLRPYHJMKV-XLIONFOSSA-N 1 0 377.485 1.559 40 0 GDABRO CCOC(=O)[C@@]12C[N@H+](CCN(C)C)C[C@@H]1CN(Cc1nccs1)CCC2 ZINC000096055936 222375188 /nfs/dbraw/zinc/37/51/88/222375188.db2.gz FJHWPFBBWIORNF-LPHOPBHVSA-N 1 0 380.558 1.782 40 0 GDABRO Cn1cc(C[NH2+]C[C@H]2COCc3nc4cc(S(C)(=O)=O)ccc4n32)cn1 ZINC000096112780 222381795 /nfs/dbraw/zinc/38/17/95/222381795.db2.gz JAAIIDZGOLGRCR-ZDUSSCGKSA-N 1 0 375.454 1.034 40 0 biogenic,in-vitro GDABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000408708753 529076141 /nfs/dbraw/zinc/07/61/41/529076141.db2.gz MCZUFVMVLHLKEK-OAHLLOKOSA-N 1 0 398.463 1.749 40 0 GDABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000408707424 529076184 /nfs/dbraw/zinc/07/61/84/529076184.db2.gz AOZPDNBKNOUENA-MRXNPFEDSA-N 1 0 386.496 1.898 40 0 GDABRO COC(=O)c1cccc(CN2C[C@H]3C[C@@H](O)CN3C3(C[NH+](CC(C)C)C3)C2)c1 ZINC000514288842 560033814 /nfs/dbraw/zinc/03/38/14/560033814.db2.gz FWKWSCJNGWULRZ-WOJBJXKFSA-N 1 0 387.524 1.434 40 0 biogenic,in-vitro GDABRO CN1CCN(Cc2nc(C3(O)CCN(C4CC[NH+](C)CC4)CC3)cs2)CC1 ZINC000225471944 560043253 /nfs/dbraw/zinc/04/32/53/560043253.db2.gz ITGGDHXPHYIBGK-UHFFFAOYSA-N 1 0 393.601 1.268 40 0 biogenic,in-vitro GDABRO O=C(Cc1ccsc1)N1CC[C@@]2(CC(C(=O)NCC[NH+]3CCCC3)=NO2)C1 ZINC000096225589 570220091 /nfs/dbraw/zinc/22/00/91/570220091.db2.gz KDMQNEUEXDZNOL-LJQANCHMSA-N 1 0 390.509 1.250 40 0 GDABRO Cc1cnc(CNC(=O)C2=NO[C@@]3(CC[N@H+](CCc4ccccc4)C3)C2)cn1 ZINC000096225961 570220545 /nfs/dbraw/zinc/22/05/45/570220545.db2.gz WWSRKJGOURGTKZ-NRFANRHFSA-N 1 0 379.464 1.865 40 0 GDABRO COCC[N@@H+]1CC2(CCN(C(=O)c3ccc(C)cc3)CC2)[C@]2(CCNC2=O)C1 ZINC000096262722 570226433 /nfs/dbraw/zinc/22/64/33/570226433.db2.gz SQLBVZZFXIOECD-JOCHJYFZSA-N 1 0 385.508 1.686 40 0 GDABRO COc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(OCCO)c(OC)c2)cc1 ZINC000585262536 570230372 /nfs/dbraw/zinc/23/03/72/570230372.db2.gz OWLVNAKTHGGEHQ-KRWDZBQOSA-N 1 0 391.464 1.947 40 0 GDABRO O[C@@]1(C[NH2+]Cc2cccc(CN3CCOCC3)c2)CCCN(c2ncccn2)C1 ZINC000585274307 570243562 /nfs/dbraw/zinc/24/35/62/570243562.db2.gz VCXAIAUSGCEDEB-JOCHJYFZSA-N 1 0 397.523 1.430 40 0 GDABRO Cc1cccc(N2CCC(O)(C[N@H+]3CCN(C)C[C@@H](C(=O)N(C)C)C3)CC2)c1 ZINC000585282529 570250403 /nfs/dbraw/zinc/25/04/03/570250403.db2.gz FVFYEUZDRFRWPV-LJQANCHMSA-N 1 0 388.556 1.278 40 0 GDABRO CC(=O)N1CCC([N@@H+]2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585284088 570252306 /nfs/dbraw/zinc/25/23/06/570252306.db2.gz UWDZWXSUEVNLLJ-IBGZPJMESA-N 1 0 384.423 1.418 40 0 GDABRO Cc1nc(/C=C/C(=O)N2CCC3(CC2)C[C@H]([NH+](C)C)[C@@](C)(O)CO3)cs1 ZINC000585291020 570259425 /nfs/dbraw/zinc/25/94/25/570259425.db2.gz ZJXQHKOQYSIYQV-MMUANNJHSA-N 1 0 379.526 1.927 40 0 GDABRO O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000585290936 570259440 /nfs/dbraw/zinc/25/94/40/570259440.db2.gz HOGQZVXYLYGQCH-CTNGQTDRSA-N 1 0 388.895 1.997 40 0 GDABRO COc1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c(OC)c1OC ZINC000022074691 570304828 /nfs/dbraw/zinc/30/48/28/570304828.db2.gz DMQMXUAWTVVAEH-UHFFFAOYSA-N 1 0 380.466 1.692 40 0 GDABRO C[C@@H]1CCC[N@H+](CCCNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)C1 ZINC000223249931 570452784 /nfs/dbraw/zinc/45/27/84/570452784.db2.gz LMSCXSQIRAKSKO-MRXNPFEDSA-N 1 0 399.532 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OKGFRWJWNOPJTG-IBGZPJMESA-N 1 0 388.493 1.360 40 0 GDABRO CN(C)C(=O)N[C@@H]1CCN(C(=O)N(C)C)C[C@]12CC[N@H+](Cc1ccco1)C2 ZINC000306135402 570942107 /nfs/dbraw/zinc/94/21/07/570942107.db2.gz OPXDWXWQPLFZAV-VQIMIIECSA-N 1 0 377.489 1.499 40 0 GDABRO Cc1ccc(O[C@@H](C)C(=O)N2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1 ZINC000019210776 570960542 /nfs/dbraw/zinc/96/05/42/570960542.db2.gz NYKBSPMOSUTIIA-JKSUJKDBSA-N 1 0 394.479 1.877 40 0 GDABRO O=c1cc([C@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)nc(N2CCOCC2)[nH]1 ZINC000019292691 570972765 /nfs/dbraw/zinc/97/27/65/570972765.db2.gz DQQWJZOALBWVKF-ZDUSSCGKSA-N 1 0 376.407 1.874 40 0 GDABRO [NH3+]CCn1nc([C@@H]2CCN(C(=O)CCc3ccccc3F)C2)c2nccnc21 ZINC000019348593 570978522 /nfs/dbraw/zinc/97/85/22/570978522.db2.gz LMDLTXPAIPZTPH-OAHLLOKOSA-N 1 0 382.443 1.873 40 0 GDABRO CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)C[N@H+]2CCC[C@@H](C)C2)C3)CC1 ZINC000019496514 570989376 /nfs/dbraw/zinc/98/93/76/570989376.db2.gz OFJMHLGIQGPCRB-MRXNPFEDSA-N 1 0 399.539 1.819 40 0 GDABRO CC(=O)N1CCc2nc([C@@H]3CCCN(C(=O)C[NH+]4CCC(C)CC4)C3)ncc2C1 ZINC000019496867 570990008 /nfs/dbraw/zinc/99/00/08/570990008.db2.gz STZMDJDYWCWRGP-GOSISDBHSA-N 1 0 399.539 1.819 40 0 GDABRO Cc1nn(CCC(=O)N2CCc3nc([C@H]4CC[N@@H+](C)C4)ncc3C2)c(C)c1C ZINC000019557133 571004062 /nfs/dbraw/zinc/00/40/62/571004062.db2.gz ZRYAVOJHLKHVFP-KRWDZBQOSA-N 1 0 382.512 1.992 40 0 GDABRO COc1ccc(C[N@@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)cc1OC ZINC000019561168 571005427 /nfs/dbraw/zinc/00/54/27/571005427.db2.gz JBJHRIXMQHAACT-UHFFFAOYSA-N 1 0 384.480 1.988 40 0 GDABRO Cc1ccc(F)c(S(=O)(=O)N2CCC[C@@H](c3nnc4n3CC[NH2+]CC4)C2)c1 ZINC000019709359 571034205 /nfs/dbraw/zinc/03/42/05/571034205.db2.gz SWXFADCRSMFNJS-CQSZACIVSA-N 1 0 393.488 1.440 40 0 GDABRO COc1ccccc1S(=O)(=O)N1CCC(c2nnc3n2CC[NH2+]CC3)CC1 ZINC000019709511 571034229 /nfs/dbraw/zinc/03/42/29/571034229.db2.gz JLKMPMMDWIKNNX-UHFFFAOYSA-N 1 0 391.497 1.001 40 0 GDABRO O=C1C2=C(C(=O)N1c1ccccc1)[C@H](c1ccccc1)[NH+]=C(N1CCOCC1)N2 ZINC000020555772 230905406 /nfs/dbraw/zinc/90/54/06/230905406.db2.gz VZEFGLCMCHQMBW-SFHVURJKSA-N 1 0 388.427 1.847 40 0 GDABRO Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCC[NH+](C)C)c1 ZINC000408710369 231102784 /nfs/dbraw/zinc/10/27/84/231102784.db2.gz ZMVCDCVIAPLUMC-UHFFFAOYSA-N 1 0 382.464 1.541 40 0 GDABRO [NH3+][C@@]1(CO)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218182800 531027813 /nfs/dbraw/zinc/02/78/13/531027813.db2.gz OROBLVCQQPGSEC-IKGGRYGDSA-N 1 0 381.837 1.698 40 0 GDABRO O=S(=O)(c1cn[nH]c1)N1CCC[C@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257342234 531092546 /nfs/dbraw/zinc/09/25/46/531092546.db2.gz ZNRUJYUKNBQZQZ-CQSZACIVSA-N 1 0 378.445 1.047 40 0 GDABRO Cn1cncc1C(=O)NC[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCC1 ZINC000257266845 222766475 /nfs/dbraw/zinc/76/64/75/222766475.db2.gz MEUGJPJUVXUTBT-LDTOTXGLSA-N 1 0 384.480 1.443 40 0 GDABRO O=S(=O)(NCC[NH2+][C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000575425882 532013781 /nfs/dbraw/zinc/01/37/81/532013781.db2.gz ZWBPLYWHJVQAON-SECBINFHSA-N 1 0 387.310 1.048 40 0 GDABRO Cc1ccc(Cl)cc1S(=O)(=O)N(CC[NH3+])[C@@]1(C)CCS(=O)(=O)C1 ZINC000575426734 532013959 /nfs/dbraw/zinc/01/39/59/532013959.db2.gz ZCGCTRRAQDNUOU-AWEZNQCLSA-N 1 0 380.919 1.175 40 0 GDABRO COc1ccc(CC(=O)N[C@H]2C[C@@H](c3nc(-c4cnccn4)no3)N(C)C2)cc1 ZINC000012529700 291110514 /nfs/dbraw/zinc/11/05/14/291110514.db2.gz AXLNSMOHVPBXFG-YOEHRIQHSA-N 1 0 394.435 1.639 40 0 biogenic,in-vitro GDABRO C[NH+](C)CCCNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000010111386 221097682 /nfs/dbraw/zinc/09/76/82/221097682.db2.gz MTIDVMLOFTYFMA-UHFFFAOYSA-N 1 0 392.319 1.283 40 0 GDABRO CC1CC[NH+](CCCNC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)CC1 ZINC000013668334 221279679 /nfs/dbraw/zinc/27/96/79/221279679.db2.gz GVGWMLNCMWZMFV-UHFFFAOYSA-N 1 0 396.557 1.538 40 0 GDABRO CC(=O)N1CCc2nc(C3CCN(C(=O)[C@H](C)[NH+]4CCCC4)CC3)ncc2C1 ZINC000019078083 221395342 /nfs/dbraw/zinc/39/53/42/221395342.db2.gz LLPVHFXSQXWNSY-HNNXBMFYSA-N 1 0 385.512 1.572 40 0 GDABRO CC(=O)N1CC[C@H](c2nn(CCNC(=O)[C@H](C)[NH+]3CCCC3)c3ncccc23)C1 ZINC000019080327 221396259 /nfs/dbraw/zinc/39/62/59/221396259.db2.gz YGLSUKFIQRIKKM-RDJZCZTQSA-N 1 0 398.511 1.368 40 0 GDABRO COc1cccc(C(=O)NCCn2nc([C@@H]3CC[NH2+]C3)c3nccnc32)c1OC ZINC000019567420 221427821 /nfs/dbraw/zinc/42/78/21/221427821.db2.gz RDENYHNRLUSTDC-CYBMUJFWSA-N 1 0 396.451 1.350 40 0 GDABRO C[NH+](C)C1(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)CCCC1 ZINC000072391761 136169235 /nfs/dbraw/zinc/16/92/35/136169235.db2.gz NCPZYXQMTTYPSK-MRXNPFEDSA-N 1 0 381.498 1.204 40 0 GDABRO O=C(/C=C/c1ccccc1)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224329354 136206843 /nfs/dbraw/zinc/20/68/43/136206843.db2.gz AUTDWMZLSFYLFV-VOTSOKGWSA-N 1 0 379.464 1.675 40 0 GDABRO Cc1cc(C)cc(C(=O)N2CCN(c3cn[nH+]c(N4CCOCC4)c3)CC2)c1 ZINC000224329677 136206936 /nfs/dbraw/zinc/20/69/36/136206936.db2.gz HNCYAWOGSVOOMH-UHFFFAOYSA-N 1 0 381.480 1.892 40 0 GDABRO C[C@H]1C[NH+](CCCNC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)C[C@H](C)O1 ZINC000040086623 221902569 /nfs/dbraw/zinc/90/25/69/221902569.db2.gz ZLJAULWAYVPINS-CMKODMSKSA-N 1 0 387.524 1.693 40 0 GDABRO O=C(c1cccnc1)N1CC[N@H+](Cc2ccccc2)C[C@@](O)(Cn2cccn2)C1 ZINC000072354466 222237517 /nfs/dbraw/zinc/23/75/17/222237517.db2.gz COTVYKVIXGLTQU-QFIPXVFZSA-N 1 0 391.475 1.667 40 0 GDABRO COc1ccccc1S(=O)(=O)N1CCc2nnc([C@H]3CCC[NH2+]C3)n2CC1 ZINC000072370907 222241385 /nfs/dbraw/zinc/24/13/85/222241385.db2.gz AZNNJAQNTSOCMY-AWEZNQCLSA-N 1 0 391.497 1.001 40 0 GDABRO COc1ccccc1CC(=O)NCCn1nc([C@@H]2CC[N@H+](C)C2)c2nccnc21 ZINC000072391649 222249183 /nfs/dbraw/zinc/24/91/83/222249183.db2.gz RQJQLLUEQVRJFW-MRXNPFEDSA-N 1 0 394.479 1.613 40 0 GDABRO Cc1nc(CN2CCN(C)C3(CC[NH+](Cc4cnn(C)c4)CC3)C2=O)cs1 ZINC000096050105 222374475 /nfs/dbraw/zinc/37/44/75/222374475.db2.gz JBDNFUUSGKPCIF-UHFFFAOYSA-N 1 0 388.541 1.494 40 0 GDABRO CCn1nc(C)cc1C(=O)N1CCC[C@@]2(C[C@H](C[NH+]3CCN(C)CC3)CO2)C1 ZINC000096228441 222399978 /nfs/dbraw/zinc/39/99/78/222399978.db2.gz ZMAHLKYGWCRYJN-WIYYLYMNSA-N 1 0 389.544 1.470 40 0 GDABRO O[C@@H]1C[C@@](C[NH2+]C2CCOCC2)(COc2ccc(C(F)(F)F)cn2)C[C@@H]1O ZINC000107430400 222512023 /nfs/dbraw/zinc/51/20/23/222512023.db2.gz MEXZCEURWYFREE-SCAQPMJSSA-N 1 0 390.402 1.750 40 0 biogenic,in-vitro GDABRO O=S(=O)(NC[C@H]1OC[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@@H]1O)c1ccccc1 ZINC000077264612 560046390 /nfs/dbraw/zinc/04/63/90/560046390.db2.gz PKDFWPHMNCBGGF-OAGGEKHMSA-N 1 0 390.452 1.261 40 0 biogenic,in-vitro GDABRO O=C(NC1CC1)[C@H]1O[C@H](CC[NH+]2CCN(Cc3ccccc3)CC2)CC[C@@H]1O ZINC000030878687 560090047 /nfs/dbraw/zinc/09/00/47/560090047.db2.gz JAZDYTPFLXRZDQ-ACRUOGEOSA-N 1 0 387.524 1.381 40 0 biogenic,in-vitro GDABRO CCn1nc(C)cc1C(=O)N1CCC[C@@]2(C[C@@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096228415 570221453 /nfs/dbraw/zinc/22/14/53/570221453.db2.gz DIIRRCXYPSXDGG-FXAWDEMLSA-N 1 0 376.501 1.555 40 0 GDABRO O=C(CCc1ccccc1)N1CC[C@](O)(C[NH2+]CCN2CCCCC2)[C@@H](O)C1 ZINC000585284392 570253295 /nfs/dbraw/zinc/25/32/95/570253295.db2.gz KSDWUYOSNLFUNS-UNMCSNQZSA-N 1 0 389.540 1.019 40 0 GDABRO O=C(Cc1ccccc1)N1CC[C@](O)(C[NH2+]CCCc2ccccc2)[C@@H](O)C1 ZINC000585285065 570254216 /nfs/dbraw/zinc/25/42/16/570254216.db2.gz NSDCYDPFKKXIRV-GMAHTHKFSA-N 1 0 382.504 1.776 40 0 GDABRO Cc1nn(C)c(C)c1/C=C/C(=O)N[C@@H]1CCCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000585289456 570257495 /nfs/dbraw/zinc/25/74/95/570257495.db2.gz GWHKVVBJLWKGCG-AQVLNSJUSA-N 1 0 376.501 1.171 40 0 GDABRO COc1cccc(N(CCCC(=O)NC2CC[NH+](C)CC2)S(C)(=O)=O)c1 ZINC000113968036 570338364 /nfs/dbraw/zinc/33/83/64/570338364.db2.gz YKDGHJQLCCMAQF-UHFFFAOYSA-N 1 0 383.514 1.452 40 0 GDABRO COCCn1nnnc1[C@@H](c1ccccn1)N1CC[NH+](C2CCCCC2)CC1 ZINC000022584613 570348288 /nfs/dbraw/zinc/34/82/88/570348288.db2.gz ANQWMAVDTMVXLW-LJQANCHMSA-N 1 0 385.516 1.754 40 0 GDABRO CCCOc1ccc(N(CC(=O)NC2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000219151193 570348583 /nfs/dbraw/zinc/34/85/83/570348583.db2.gz AWBPJLRGMYVCFO-UHFFFAOYSA-N 1 0 383.514 1.452 40 0 GDABRO O[C@@H]1C[C@H]2C[N@H+](CCc3ccccc3)CC3(CN(Cc4cccnc4)C3)N2C1 ZINC000514288786 570492915 /nfs/dbraw/zinc/49/29/15/570492915.db2.gz DZJPLLWGMBUKRU-FCHUYYIVSA-N 1 0 378.520 1.630 40 0 biogenic,in-vitro GDABRO COc1ccc(S[C@@H](C)C(=O)NCCCN2CC[NH+](C)CC2)cc1OC ZINC000038753573 570581732 /nfs/dbraw/zinc/58/17/32/570581732.db2.gz IZNWBJINUBTUDO-HNNXBMFYSA-N 1 0 381.542 1.938 40 0 GDABRO O=C(C[NH+]1CCCCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000007339508 570677419 /nfs/dbraw/zinc/67/74/19/570677419.db2.gz IMMQSJSDPDBVAY-UHFFFAOYSA-N 1 0 383.489 1.535 40 0 GDABRO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659013361 570745987 /nfs/dbraw/zinc/74/59/87/570745987.db2.gz AUGHVOBBYYHRSG-CHWSQXEVSA-N 1 0 389.449 1.018 40 0 GDABRO COc1cccc2[nH]c(C(=O)N3CCC[C@@](O)(C[NH+]4CCOCC4)CC3)cc21 ZINC000257222189 570763083 /nfs/dbraw/zinc/76/30/83/570763083.db2.gz DSHVISDZCWKDOC-NRFANRHFSA-N 1 0 387.480 1.866 40 0 GDABRO C[N@H+](CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC000257277100 570774358 /nfs/dbraw/zinc/77/43/58/570774358.db2.gz NWJQRUZBMWSACL-NCOADZHNSA-N 1 0 384.448 1.524 40 0 GDABRO CN(C)S(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)c1ccccc1 ZINC000010111238 570781806 /nfs/dbraw/zinc/78/18/06/570781806.db2.gz TVFLMISVRJJCRJ-UHFFFAOYSA-N 1 0 396.557 1.682 40 0 GDABRO Cc1cccc2c1[C@H](NC1=CC(C(=O)N(C)CCO)=CN3C[C@H](C)[NH+]=C13)CCO2 ZINC000263584388 570794326 /nfs/dbraw/zinc/79/43/26/570794326.db2.gz RMKJHJRLZXGKEN-DOTOQJQBSA-N 1 0 396.491 1.743 40 0 GDABRO O=C(Cc1ccc(O)cc1)N1CCC2(CO[C@H](C[NH+]3CCC(O)CC3)C2)CC1 ZINC000585104924 570934146 /nfs/dbraw/zinc/93/41/46/570934146.db2.gz XGPNREAFHHCGPH-FQEVSTJZSA-N 1 0 388.508 1.789 40 0 GDABRO CN1Cc2nnc(C(=O)NC3CCC3)n2C[C@@]12CC[N@H+](Cc1ccsc1)C2 ZINC000306126394 570936746 /nfs/dbraw/zinc/93/67/46/570936746.db2.gz DUMCFBBHJSKWDF-IBGZPJMESA-N 1 0 386.525 1.712 40 0 GDABRO O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@@]1(CC[N@H+](Cc3ccccn3)C1)C2 ZINC000306129991 570938400 /nfs/dbraw/zinc/93/84/00/570938400.db2.gz ITIDZJGWINBXOF-QFIPXVFZSA-N 1 0 389.459 1.297 40 0 GDABRO O=c1c(=O)n(C2CCCC2)nc2n1C[C@]1(CC[N@H+](Cc3cccs3)C1)OC2 ZINC000306135700 570941916 /nfs/dbraw/zinc/94/19/16/570941916.db2.gz OYAPDZFROAXFET-LJQANCHMSA-N 1 0 388.493 1.757 40 0 GDABRO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CC[N@H+](Cc3ccoc3)C2)cs1 ZINC000306139353 570944159 /nfs/dbraw/zinc/94/41/59/570944159.db2.gz SVBSNUIEAULZLK-IBGZPJMESA-N 1 0 399.476 1.359 40 0 GDABRO C=Cn1ncc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)c1C ZINC000019554360 571002555 /nfs/dbraw/zinc/00/25/55/571002555.db2.gz SVAWYHZVUHTGOL-MRXNPFEDSA-N 1 0 384.484 1.592 40 0 GDABRO NC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H](COc3ccc(F)cc3)C2)CC1 ZINC000019659229 571024940 /nfs/dbraw/zinc/02/49/40/571024940.db2.gz KHSMCWXMXRENTP-HNNXBMFYSA-N 1 0 377.460 1.640 40 0 GDABRO NC(=O)C1(N2CCOCC2)CC[NH+](Cc2ccccc2N2CCCCC2)CC1 ZINC000019658690 571025060 /nfs/dbraw/zinc/02/50/60/571025060.db2.gz ILZJEFCMSIFKFM-UHFFFAOYSA-N 1 0 386.540 1.829 40 0 GDABRO Cn1c2cc(NC(=O)c3ccncc3)c(N3CC[NH+](C)CC3)cc2n(C)c1=O ZINC000408536716 231053685 /nfs/dbraw/zinc/05/36/85/231053685.db2.gz XOBWGHRPGHHTSU-UHFFFAOYSA-N 1 0 380.452 1.276 40 0 GDABRO C[NH+]1CCN(CCCNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000030856116 530600744 /nfs/dbraw/zinc/60/07/44/530600744.db2.gz KGTHAGINFZKRTC-UHFFFAOYSA-N 1 0 388.921 1.079 40 0 GDABRO Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H]([NH2+]Cc3cccs3)[C@@H]2O)cc1 ZINC000077264828 530806869 /nfs/dbraw/zinc/80/68/69/530806869.db2.gz NOYLDTMLYBLBAU-ZACQAIPSSA-N 1 0 382.507 1.253 40 0 biogenic,in-vitro GDABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)CC ZINC000252515829 531091371 /nfs/dbraw/zinc/09/13/71/531091371.db2.gz NXLHIPYJIKYSSQ-GZBFAFLISA-N 1 0 390.299 1.858 40 0 GDABRO NS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000012238174 221172169 /nfs/dbraw/zinc/17/21/69/221172169.db2.gz XEGHQUWIERYEIP-QGZVFWFLSA-N 1 0 379.526 1.744 40 0 GDABRO COc1ccccc1C[N@@H+]1CC[C@@H](c2nn(CCNC(C)=O)c3nccnc23)C1 ZINC000019021591 221394584 /nfs/dbraw/zinc/39/45/84/221394584.db2.gz ISGJSVWXGXCFLJ-QGZVFWFLSA-N 1 0 394.479 1.961 40 0 GDABRO C[C@@H](C(=O)N1CC[C@H](c2nn(CC[NH+](C)C)c3ncccc23)C1)N1CCCC1=O ZINC000019077599 221395187 /nfs/dbraw/zinc/39/51/87/221395187.db2.gz GRCVEONNVOVGTJ-HOTGVXAUSA-N 1 0 398.511 1.320 40 0 GDABRO C[C@@H](Oc1ccccc1F)C(=O)N1CC[C@@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019077576 221395525 /nfs/dbraw/zinc/39/55/25/221395525.db2.gz PIFYLJHVVXLFKF-ZIAGYGMSSA-N 1 0 398.442 1.708 40 0 GDABRO Cc1ccc([C@@H](O)CN2CCN(S(=O)(=O)N3CCCCC3)CC2)c(C)c1 ZINC000019132501 221397423 /nfs/dbraw/zinc/39/74/23/221397423.db2.gz CWZHHKHZDNHWBA-IBGZPJMESA-N 1 0 381.542 1.685 40 0 GDABRO Cc1ccc(C)c(C(=O)N2CCN(c3cn[nH+]c(N4CCOCC4)c3)CC2)c1 ZINC000224329515 136206887 /nfs/dbraw/zinc/20/68/87/136206887.db2.gz SADSPGRDYZXRCD-UHFFFAOYSA-N 1 0 381.480 1.892 40 0 GDABRO Cc1cccc(NC(=O)N2CCN(c3cn[nH+]c(N4CCOCC4)c3)CC2)c1 ZINC000224330830 136206955 /nfs/dbraw/zinc/20/69/55/136206955.db2.gz CZTMVOUKXWMULE-UHFFFAOYSA-N 1 0 382.468 1.976 40 0 GDABRO Cc1nn(CC(=O)NCCC[N@H+]2CCC[C@H](C)C2)c(=O)c2cc3occc3n21 ZINC000072346388 222233001 /nfs/dbraw/zinc/23/30/01/222233001.db2.gz HEWKCTYGRPLBMV-AWEZNQCLSA-N 1 0 385.468 1.789 40 0 GDABRO CC(=O)N[C@@H]1Cc2ccc(S(=O)(=O)NCC[NH+]3CCC(C)CC3)cc2C1 ZINC000072345775 222233171 /nfs/dbraw/zinc/23/31/71/222233171.db2.gz DEWKNLGTFOFIKQ-GOSISDBHSA-N 1 0 379.526 1.300 40 0 GDABRO CNc1ncccc1C[N@@H+]1CCC[C@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 ZINC000072380634 222244543 /nfs/dbraw/zinc/24/45/43/222244543.db2.gz RDCXKDSTRQDHGX-HNNXBMFYSA-N 1 0 384.484 1.698 40 0 GDABRO COc1cccc(CC(=O)NCCn2nc([C@H]3CC[N@H+](C)C3)c3nccnc32)c1 ZINC000072391646 222248798 /nfs/dbraw/zinc/24/87/98/222248798.db2.gz SCQMNLQFUQGMFN-INIZCTEOSA-N 1 0 394.479 1.613 40 0 GDABRO C[NH+](C)CCN1[C@@]2(CCN(Cc3nccs3)C2)c2ccccc2S1(=O)=O ZINC000096143086 222387016 /nfs/dbraw/zinc/38/70/16/222387016.db2.gz WKCXVCQSPHSDST-GOSISDBHSA-N 1 0 392.550 1.810 40 0 GDABRO CC(=O)N1CCN(c2ccc3ccc(C(=O)N4CCC([NH+](C)C)CC4)cn32)CC1 ZINC000096267369 222406427 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DSUZWDQUHKSPJD-MSOLQXFVSA-N 1 0 391.537 1.688 40 0 GDABRO Cn1cc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccccc4)C[C@@H]3C2)cn1 ZINC000306128620 570938103 /nfs/dbraw/zinc/93/81/03/570938103.db2.gz HGFQTYSPSDPNDI-HZPDHXFCSA-N 1 0 377.452 1.568 40 0 GDABRO C[NH+](C)C[C@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)Cc1ccccc1)CC3 ZINC000585110053 570939058 /nfs/dbraw/zinc/93/90/58/570939058.db2.gz BMYZIYBBPQZPIW-QGZVFWFLSA-N 1 0 380.492 1.810 40 0 GDABRO COc1ncccc1C[N@@H+]1CC[C@]2(C1)CCn1ncnc1[C@@H]2NC(=O)C1CC1 ZINC000306136042 570942708 /nfs/dbraw/zinc/94/27/08/570942708.db2.gz PHGVPQZLLLBVCW-OXJNMPFZSA-N 1 0 382.468 1.545 40 0 GDABRO Cc1noc(CC(=O)N2CCOC[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)n1 ZINC000585113572 570944022 /nfs/dbraw/zinc/94/40/22/570944022.db2.gz XLUXSTDOLOYKPX-GOSISDBHSA-N 1 0 376.482 1.733 40 0 GDABRO O=C(NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21)[C@@H]1OCCc2ccccc21 ZINC000019375488 570981828 /nfs/dbraw/zinc/98/18/28/570981828.db2.gz NBGZROYNTHJZEF-OXJNMPFZSA-N 1 0 391.475 1.938 40 0 GDABRO CC[C@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C[NH+](C)C)CC2 ZINC000019499855 570991963 /nfs/dbraw/zinc/99/19/63/570991963.db2.gz SGGKOQOFEVWJPC-BBRMVZONSA-N 1 0 389.500 1.338 40 0 GDABRO CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C[NH+](C)C)CC2 ZINC000019499853 570992180 /nfs/dbraw/zinc/99/21/80/570992180.db2.gz SGGKOQOFEVWJPC-XJKSGUPXSA-N 1 0 389.500 1.338 40 0 GDABRO COCc1ccc(C(=O)N2CC[C@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1 ZINC000019594386 571020375 /nfs/dbraw/zinc/02/03/75/571020375.db2.gz QKPAEHWOBBNMFN-INIZCTEOSA-N 1 0 380.452 1.561 40 0 GDABRO CC(=O)N1CCN(c2cc(C)[nH+]c([C@H]3CCCN3CC(=O)N3CCCC3)c2)CC1 ZINC000019698132 571030616 /nfs/dbraw/zinc/03/06/16/571030616.db2.gz RJYHHZFUGVNFHG-OAQYLSRUSA-N 1 0 399.539 1.818 40 0 GDABRO C[N@H+]1CCc2nnc([C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)n2CC1 ZINC000019710739 571034779 /nfs/dbraw/zinc/03/47/79/571034779.db2.gz AZVLXSVMYSRRPL-OAHLLOKOSA-N 1 0 379.461 1.431 40 0 GDABRO COc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCC[NH+](C)C ZINC000408709934 231103002 /nfs/dbraw/zinc/10/30/02/231103002.db2.gz IWYCHOLHRDTYHJ-UHFFFAOYSA-N 1 0 398.463 1.242 40 0 GDABRO O[C@@H]1[C@@H](COc2ccc(C(F)(F)F)cn2)C[C@@H]([NH2+]C2CCOCC2)[C@@H]1O ZINC000225510810 222681454 /nfs/dbraw/zinc/68/14/54/222681454.db2.gz BDLRHXBTISMIAE-NMFKLSHFSA-N 1 0 376.375 1.358 40 0 biogenic,in-vitro GDABRO C[NH+]1CCN(CCNc2cc(-c3ccccn3)nc(NC3CCCC3)n2)CC1 ZINC000328998668 212092308 /nfs/dbraw/zinc/09/23/08/212092308.db2.gz JUHNBNDGPAYZIV-UHFFFAOYSA-N 1 0 381.528 1.396 40 0 GDABRO C[C@H](C(=O)NCC[NH+](C)C)N1CC[C@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000012086365 221148806 /nfs/dbraw/zinc/14/88/06/221148806.db2.gz XYIKCOMDRBXDRK-VFNWGFHPSA-N 1 0 387.480 1.469 40 0 GDABRO CC(=O)N1CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(C(C)(C)C)on2)CC1 ZINC000015673240 221338473 /nfs/dbraw/zinc/33/84/73/221338473.db2.gz SSWGUIOHDQPJAV-IRXDYDNUSA-N 1 0 390.528 1.821 40 0 biogenic,in-vitro GDABRO CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(c3ncccn3)CC1)C2=O ZINC000019700669 221441534 /nfs/dbraw/zinc/44/15/34/221441534.db2.gz DLMREQIFPKXMIA-UHFFFAOYSA-N 1 0 386.500 1.489 40 0 GDABRO CS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000193050415 533390229 /nfs/dbraw/zinc/39/02/29/533390229.db2.gz KHKGMDGNLJOJMN-SFHVURJKSA-N 1 0 379.526 1.570 40 0 GDABRO COc1cccc(C(=O)N2CCN(c3cn[nH+]c(N4CCOCC4)c3)CC2)c1 ZINC000224328261 136206815 /nfs/dbraw/zinc/20/68/15/136206815.db2.gz JKESXNLBHJYRBF-UHFFFAOYSA-N 1 0 383.452 1.284 40 0 GDABRO COC[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)CC[N@H+](CCc2ccccc2)C1 ZINC000072354519 222238146 /nfs/dbraw/zinc/23/81/46/222238146.db2.gz OSWFSTNRMVKNNW-SFHVURJKSA-N 1 0 384.480 1.043 40 0 GDABRO COc1ccc(CCC(=O)N2CC[NH2+]C[C@H](Cc3cc(N(C)C)ncn3)C2)cc1 ZINC000072355154 222240008 /nfs/dbraw/zinc/24/00/08/222240008.db2.gz NDCHFQIKXSQHQB-SFHVURJKSA-N 1 0 397.523 1.775 40 0 GDABRO Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)[nH+]1 ZINC000072374902 222242038 /nfs/dbraw/zinc/24/20/38/222242038.db2.gz TYDNDRROVQCCFH-AWEZNQCLSA-N 1 0 376.486 1.909 40 0 GDABRO COc1ccccc1CC(=O)NCCn1nc([C@H]2CC[N@H+](C)C2)c2nccnc21 ZINC000072391648 222248554 /nfs/dbraw/zinc/24/85/54/222248554.db2.gz RQJQLLUEQVRJFW-INIZCTEOSA-N 1 0 394.479 1.613 40 0 GDABRO CC(=O)N1CCc2nc([C@H]3CCN(C(=O)C[C@H]4CCCC[N@H+]4C)C3)ncc2C1 ZINC000072397282 222253340 /nfs/dbraw/zinc/25/33/40/222253340.db2.gz UUJXCAHVNAFXEI-FUHWJXTLSA-N 1 0 385.512 1.572 40 0 GDABRO CCOC(=O)[C@@]12CN(S(C)(=O)=O)C[C@@H]1C[N@H+](Cc1ccc(F)cc1)CCC2 ZINC000096055995 222374769 /nfs/dbraw/zinc/37/47/69/222374769.db2.gz SRKSQULOEMPANW-LPHOPBHVSA-N 1 0 398.500 1.862 40 0 GDABRO CCOC(=O)[C@@]12C[N@H+](CCN(C)C)C[C@@H]1CN(C(=O)c1ccncc1)CCC2 ZINC000096055945 222374866 /nfs/dbraw/zinc/37/48/66/222374866.db2.gz JFARKWLKOKOTAC-NQIIRXRSSA-N 1 0 388.512 1.361 40 0 GDABRO CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1cnn(C)c1)CCC2 ZINC000096056055 222377184 /nfs/dbraw/zinc/37/71/84/222377184.db2.gz GFAXCXBCQJWXDW-PXNSSMCTSA-N 1 0 384.484 1.492 40 0 GDABRO C[NH+](C)CC(=O)N1CCN(c2ccc3ccc(C(=O)N4CCCCC4)cn32)CC1 ZINC000096156016 222393108 /nfs/dbraw/zinc/39/31/08/222393108.db2.gz NMMHIVZIVFFMLT-UHFFFAOYSA-N 1 0 397.523 1.776 40 0 GDABRO C[N@H+](CCc1ccccc1)C[C@@H]1OC[C@H](NS(=O)(=O)c2ccccc2)[C@H]1O ZINC000514288759 560034290 /nfs/dbraw/zinc/03/42/90/560034290.db2.gz CHMLQAGBKQDWGB-SLFFLAALSA-N 1 0 390.505 1.268 40 0 biogenic,in-vitro GDABRO COC(=O)N1c2ccccc2[C@]23[C@@H]4[N@@H+]5C[C@H]2C(=O)[C@@]2(O)C[C@]4(CCC5)CC[C@]123 ZINC000004104814 560197057 /nfs/dbraw/zinc/19/70/57/560197057.db2.gz YROYAGSZNDUMIF-KYEDJVRWSA-N 1 0 380.444 1.842 40 0 biogenic,in-vitro GDABRO C[NH+](C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000020110514 570240572 /nfs/dbraw/zinc/24/05/72/570240572.db2.gz SSXCXGODNRZZIU-GOSISDBHSA-N 1 0 381.542 1.339 40 0 GDABRO CC(=O)N1CCC([N@@H+]2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585280886 570249249 /nfs/dbraw/zinc/24/92/49/570249249.db2.gz BODQSMBOJUXYGT-LJQANCHMSA-N 1 0 384.423 1.418 40 0 GDABRO COc1ccccc1C[NH2+]C[C@@]1(O)CCN(C(=O)Cc2ccccc2)C[C@@H]1O ZINC000585285846 570255308 /nfs/dbraw/zinc/25/53/08/570255308.db2.gz ULXKWSACDZVHAX-UNMCSNQZSA-N 1 0 384.476 1.352 40 0 GDABRO COc1ccc(C[NH2+]C[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)cc1 ZINC000585286210 570255767 /nfs/dbraw/zinc/25/57/67/570255767.db2.gz XPKFKVSRYIHLPS-UNMCSNQZSA-N 1 0 384.476 1.352 40 0 GDABRO COc1ccc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](C[NH2+]C4CCC4)[C@@H](O)[C@H]3O2)cc1 ZINC000604381837 570352516 /nfs/dbraw/zinc/35/25/16/570352516.db2.gz RCIWRUALSJPJAF-VXXGZENSSA-N 1 0 390.480 1.129 40 0 biogenic,in-vitro GDABRO O[C@@H]1C[C@H]2C[N@H+](CCc3ccccc3)CC3(CN(Cc4ccccn4)C3)N2C1 ZINC000514289542 570492974 /nfs/dbraw/zinc/49/29/74/570492974.db2.gz NVDOZGNQRGMGPA-FCHUYYIVSA-N 1 0 378.520 1.630 40 0 biogenic,in-vitro GDABRO O=C(NCc1ccco1)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008253981 570525710 /nfs/dbraw/zinc/52/57/10/570525710.db2.gz GMTRVSDHNAICPO-NUJGCVRESA-N 1 0 392.463 1.960 40 0 biogenic,in-vitro GDABRO Cc1cccc2cc(CN(CCO)C(=S)NCCC[NH+](C)C)c(=O)[nH]c12 ZINC000004131778 570617504 /nfs/dbraw/zinc/61/75/04/570617504.db2.gz CPAWHNWEPINUEJ-UHFFFAOYSA-N 1 0 376.526 1.457 40 0 GDABRO CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000044402570 570632786 /nfs/dbraw/zinc/63/27/86/570632786.db2.gz FYADEFFLZRBWPN-LJQANCHMSA-N 1 0 393.553 1.960 40 0 GDABRO COCCN1C(=O)CC[C@@H](C(=O)N2CCN(C)CC2)[C@@H]1c1cccc(OC)c1 ZINC000257237573 570766870 /nfs/dbraw/zinc/76/68/70/570766870.db2.gz HHCLVLNVMRDEBJ-QUCCMNQESA-N 1 0 389.496 1.395 40 0 GDABRO CCn1cc(NC(=O)CN2CC[NH2+]C[C@H]2c2cccc(C(=O)NC)c2)c(C)n1 ZINC000257240247 570767951 /nfs/dbraw/zinc/76/79/51/570767951.db2.gz HSSIKSYECKOXGZ-SFHVURJKSA-N 1 0 384.484 1.156 40 0 GDABRO Cc1ccc2nccc(N3CCC[C@@](O)(CN(C)C(=O)CCCC[NH3+])C3)c2n1 ZINC000257262949 570772001 /nfs/dbraw/zinc/77/20/01/570772001.db2.gz LNTHDZUKNBVITP-OAQYLSRUSA-N 1 0 385.512 1.857 40 0 GDABRO NC(=O)c1ccc2c(ccn2[C@@H]2CN(C(=O)c3ccc(C[NH3+])cc3)C[C@H]2O)c1 ZINC000257261249 570772150 /nfs/dbraw/zinc/77/21/50/570772150.db2.gz LGIRBTUCQTTZEL-RTBURBONSA-N 1 0 378.432 1.257 40 0 GDABRO COc1ccc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)cc1 ZINC000010540550 570791419 /nfs/dbraw/zinc/79/14/19/570791419.db2.gz QXJYDGUCQVPQEW-UHFFFAOYSA-N 1 0 397.541 1.699 40 0 GDABRO CS(=O)(=O)n1cc2c(n1)CN([C@@H]1CO[C@H](c3cc(F)ccc3F)[C@@H]([NH3+])C1)C2 ZINC000144152632 570891690 /nfs/dbraw/zinc/89/16/90/570891690.db2.gz MKMPWKUAHLTIBJ-YLQAJVPDSA-N 1 0 398.435 1.142 40 0 GDABRO Cc1cc(C[N@H+]2CCC[C@@]3(CCCN3C(=O)CCC(=O)N(C)C)CC2)n(C)n1 ZINC000585100274 570924107 /nfs/dbraw/zinc/92/41/07/570924107.db2.gz JHMIBKWLHSKQKF-OAQYLSRUSA-N 1 0 389.544 1.944 40 0 GDABRO Cc1ccc(OCC(=O)N2CCC3(CO[C@H](C[N@@H+]4CC[C@@H](O)C4)C3)CC2)cc1 ZINC000585103704 570929252 /nfs/dbraw/zinc/92/92/52/570929252.db2.gz IMJMRRACUZVVJM-QUCCMNQESA-N 1 0 388.508 1.838 40 0 GDABRO Cc1ccsc1S(=O)(=O)N1CCC2(C[C@H](CN3CC[NH+](C)CC3)O2)CC1 ZINC000306134200 570941358 /nfs/dbraw/zinc/94/13/58/570941358.db2.gz NFPMDCUJMFYXOG-MRXNPFEDSA-N 1 0 399.582 1.616 40 0 GDABRO O=C(CCn1ncc2c1CCCC2)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019292236 570972373 /nfs/dbraw/zinc/97/23/73/570972373.db2.gz QERQCWCKIRGDSP-QGZVFWFLSA-N 1 0 394.523 1.994 40 0 GDABRO [NH3+]CCn1nc([C@H]2CCN(C(=O)COc3ccccc3F)C2)c2nccnc21 ZINC000019350161 570979127 /nfs/dbraw/zinc/97/91/27/570979127.db2.gz SMHDLSKMJVAIGB-ZDUSSCGKSA-N 1 0 384.415 1.319 40 0 GDABRO COc1ccc2c(c1)c(CN1CC[NH+](C[C@H]3CCCO3)CC1)cn2CC(N)=O ZINC000019369366 570980609 /nfs/dbraw/zinc/98/06/09/570980609.db2.gz PAJUKFVOWIVAKX-GOSISDBHSA-N 1 0 386.496 1.432 40 0 GDABRO CC(C)[N@H+](Cc1ccccc1)CC1(O)CCN(C(=O)c2ccc(=O)n(C)n2)CC1 ZINC000019447615 570984183 /nfs/dbraw/zinc/98/41/83/570984183.db2.gz YYNZYHIKCOGXLU-UHFFFAOYSA-N 1 0 398.507 1.658 40 0 GDABRO COc1cccc(C(=O)N2C[C@@H]3CCCC[N@H+](CCC(N)=O)[C@@H]3C2)c1OC ZINC000019567408 571008444 /nfs/dbraw/zinc/00/84/44/571008444.db2.gz QXCOAVNINGTZBO-GOEBONIOSA-N 1 0 375.469 1.506 40 0 GDABRO Cc1cc(C)n(CCC(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)n1 ZINC000019573862 571011313 /nfs/dbraw/zinc/01/13/13/571011313.db2.gz ZOOAETJMLQDRNC-MRXNPFEDSA-N 1 0 398.511 1.780 40 0 GDABRO C[N@@H+]1CC[C@H](c2nn(CCNC(=O)COC[C@@H]3CCCO3)c3ncccc23)C1 ZINC000019587908 571015585 /nfs/dbraw/zinc/01/55/85/571015585.db2.gz KHSVJBMLCHPSJT-HOTGVXAUSA-N 1 0 387.484 1.162 40 0 GDABRO COc1cc(CCC(=O)N2CCc3nc([C@H]4CCC[N@H+](C)C4)ncc3C2)on1 ZINC000019588575 571016388 /nfs/dbraw/zinc/01/63/88/571016388.db2.gz UHUSXLXWZJKPJO-AWEZNQCLSA-N 1 0 385.468 1.800 40 0 GDABRO Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCC[N@@H+]2CCC(=O)N2CCOCC2)n1 ZINC000019690933 571029105 /nfs/dbraw/zinc/02/91/05/571029105.db2.gz JSEYLMXXSVNAJD-LJQANCHMSA-N 1 0 396.495 1.815 40 0 GDABRO C[NH+]1CCC(c2nnc3n2CCN(S(=O)(=O)c2ccccc2Cl)C3)CC1 ZINC000019711245 571035206 /nfs/dbraw/zinc/03/52/06/571035206.db2.gz UMIIIFLXRRVVKH-UHFFFAOYSA-N 1 0 395.916 1.945 40 0 GDABRO COc1ccc(N([C@@H](C)C(=O)NCCC[NH+](C)C)S(C)(=O)=O)cc1Cl ZINC000010369050 530552539 /nfs/dbraw/zinc/55/25/39/530552539.db2.gz HSUPWLRESXPPTE-LBPRGKRZSA-N 1 0 391.921 1.571 40 0 GDABRO C[NH+]1CCN(CCCNC(=O)c2ccc(I)cc2)CC1 ZINC000022934907 530573277 /nfs/dbraw/zinc/57/32/77/530573277.db2.gz MMPIKVLOERDPSB-UHFFFAOYSA-N 1 0 387.265 1.659 40 0 GDABRO CCOC(=O)c1ccc(N(C[C@H]([NH3+])O)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001749365 212255661 /nfs/dbraw/zinc/25/56/61/212255661.db2.gz PQTQMXZSBYIKJR-QGZVFWFLSA-N 1 0 378.450 1.644 40 0 GDABRO CC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C(=O)C[NH+]2CCCCCC2)C3)C1 ZINC000019016642 221393479 /nfs/dbraw/zinc/39/34/79/221393479.db2.gz CTEAEKYTRLBNRI-KRWDZBQOSA-N 1 0 385.512 1.573 40 0 GDABRO CN(CCO)C(=O)c1cc([C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)nc2ccccc21 ZINC000019761501 221452076 /nfs/dbraw/zinc/45/20/76/221452076.db2.gz JIQYSQNAVHSIMM-MRXNPFEDSA-N 1 0 396.491 1.321 40 0 GDABRO O=C(c1cccc(Cl)c1)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224328730 136206857 /nfs/dbraw/zinc/20/68/57/136206857.db2.gz PGJPTZWKLYOQDU-UHFFFAOYSA-N 1 0 387.871 1.929 40 0 GDABRO C[N@@H+]1CCC[C@H](c2nnc3n2CCN(C(=O)CCCc2ccccn2)CC3)C1 ZINC000072370896 222240581 /nfs/dbraw/zinc/24/05/81/222240581.db2.gz NBBCZGIYBSCCHO-KRWDZBQOSA-N 1 0 382.512 1.890 40 0 GDABRO COCC[N@H+](C)C[C@H]1CO[C@@]2(C1)CCCN(C(=O)CCc1cccnc1)C2 ZINC000096228494 222399499 /nfs/dbraw/zinc/39/94/99/222399499.db2.gz FEFKLYICLADAHV-PZJWPPBQSA-N 1 0 375.513 1.990 40 0 GDABRO CN1CC[NH+](C[C@H]2CO[C@]3(C2)CCCN(C(=O)CCc2cccnc2)C3)CC1 ZINC000096228450 222399782 /nfs/dbraw/zinc/39/97/82/222399782.db2.gz QMFGZJVOXSKFQX-UNMCSNQZSA-N 1 0 386.540 1.659 40 0 GDABRO COCCN(C)C(=O)c1c2ccccn2c2ncnc(N3CC[NH+](C)CC3)c12 ZINC000096264419 536771882 /nfs/dbraw/zinc/77/18/82/536771882.db2.gz MPWLLQQSUVZABR-UHFFFAOYSA-N 1 0 382.468 1.353 40 0 GDABRO Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](C4CCCCC4)C3)C2=O)o1 ZINC000225440835 560042720 /nfs/dbraw/zinc/04/27/20/560042720.db2.gz XBEYJPMYIDGJEE-AEFFLSMTSA-N 1 0 387.480 1.279 40 0 biogenic,in-vitro GDABRO CS(=O)(=O)NC[C@H]1OC[C@@H]([NH+](Cc2ccccc2)Cc2ccccc2)[C@@H]1O ZINC000077263625 560046411 /nfs/dbraw/zinc/04/64/11/560046411.db2.gz IVIAJEDMVPFREV-AQNXPRMDSA-N 1 0 390.505 1.366 40 0 biogenic,in-vitro GDABRO O=C(CN1CCNC(=O)C1)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC000019718820 570209864 /nfs/dbraw/zinc/20/98/64/570209864.db2.gz FIZJNSPOPVXFNY-SFHVURJKSA-N 1 0 392.931 1.805 40 0 GDABRO Cc1nc(N)ncc1C(=O)N1CCC([C@H]2CCCC[N@H+]2CC(=O)N(C)C)CC1 ZINC000019746442 570213919 /nfs/dbraw/zinc/21/39/19/570213919.db2.gz IHMQGNGHICWNGQ-QGZVFWFLSA-N 1 0 388.516 1.162 40 0 GDABRO COCC[N@H+](C)C[C@@H]1CO[C@@]2(C1)CCCN(C(=O)c1cnn3cccnc13)C2 ZINC000096228501 570221364 /nfs/dbraw/zinc/22/13/64/570221364.db2.gz HZECPUCVZXEAHG-OXQOHEQNSA-N 1 0 387.484 1.319 40 0 GDABRO CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000020244481 570249498 /nfs/dbraw/zinc/24/94/98/570249498.db2.gz VCTPOWOLFAUMHU-UHFFFAOYSA-N 1 0 396.557 1.925 40 0 GDABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]Cc2ccncc2)[C@@H](O)C1 ZINC000585283601 570251864 /nfs/dbraw/zinc/25/18/64/570251864.db2.gz FIYQRGJBBKBWKN-HKUYNNGSSA-N 1 0 375.856 1.463 40 0 GDABRO CC(=O)N1CC[N@@H+](C2CCOCC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585284271 570253364 /nfs/dbraw/zinc/25/33/64/570253364.db2.gz WNLRFPCTGVFJAQ-FQEVSTJZSA-N 1 0 380.460 1.587 40 0 GDABRO Cc1ccc(N2CCC(O)(C[N@@H+]3CCO[C@@](C)(C(=O)N(C)C)C3)CC2)cc1 ZINC000585285465 570254762 /nfs/dbraw/zinc/25/47/62/570254762.db2.gz YNIGSRGBJBGQHV-HXUWFJFHSA-N 1 0 375.513 1.505 40 0 GDABRO CC(=O)N1CCC([N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3C)C2)CC1 ZINC000585287873 570258900 /nfs/dbraw/zinc/25/89/00/570258900.db2.gz UFMRSOAUFRSKTI-VXKWHMMOSA-N 1 0 390.524 1.799 40 0 GDABRO O=C(CCc1ccccc1)N1CC[C@](O)(C[NH+]2CCC(CCO)CC2)[C@@H](O)C1 ZINC000585290744 570259459 /nfs/dbraw/zinc/25/94/59/570259459.db2.gz WNCBCCAGGYEQMD-UNMCSNQZSA-N 1 0 390.524 1.038 40 0 GDABRO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCCc2ccccc2)C1 ZINC000585291240 570259872 /nfs/dbraw/zinc/25/98/72/570259872.db2.gz MBNDHXDGRWXBAN-UXHICEINSA-N 1 0 390.505 1.005 40 0 GDABRO COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000100138581 570269802 /nfs/dbraw/zinc/26/98/02/570269802.db2.gz DZBVSUKLDIXIHJ-NWCOCXCSSA-N 1 0 377.400 1.640 40 0 GDABRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@@H](C)C[NH+](C)C)C2)cc1 ZINC000022258796 570311583 /nfs/dbraw/zinc/31/15/83/570311583.db2.gz FXTCKUYSNBTVMY-SJORKVTESA-N 1 0 381.542 1.710 40 0 GDABRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+]Cc3cccs3)CC2)cc1 ZINC000057699017 570370103 /nfs/dbraw/zinc/37/01/03/570370103.db2.gz SOBUHILDJCOIAV-UHFFFAOYSA-N 1 0 393.534 1.679 40 0 GDABRO COc1cc(CN2CCC[C@@]2(C)C(=O)NCCO)ccc1OCC[NH+](C)C ZINC000257246581 570488024 /nfs/dbraw/zinc/48/80/24/570488024.db2.gz IUTIYTOFHLGICM-FQEVSTJZSA-N 1 0 379.501 1.099 40 0 GDABRO C[NH+](C)CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000030755936 570495238 /nfs/dbraw/zinc/49/52/38/570495238.db2.gz BQSMMMSDACEEFX-LJQANCHMSA-N 1 0 395.569 1.729 40 0 GDABRO CNC(=O)[C@@H]1COC2(CN(C(=O)c3cc(C)c(C)s3)C2)CN1CC1CC1 ZINC000251991285 570726545 /nfs/dbraw/zinc/72/65/45/570726545.db2.gz JCALFAZUVVXCDP-HNNXBMFYSA-N 1 0 377.510 1.416 40 0 GDABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]CCNC(=O)c3nonc3N)o2)cc1 ZINC000007520193 570759930 /nfs/dbraw/zinc/75/99/30/570759930.db2.gz WYRFCGJSUKVZQA-UHFFFAOYSA-N 1 0 399.407 1.608 40 0 GDABRO CN(CC1(O)CCN(c2cccc3nccn32)CC1)C(=O)c1ccc(C[NH3+])cc1 ZINC000257219817 570762628 /nfs/dbraw/zinc/76/26/28/570762628.db2.gz DIGQTRKTLYEOSH-UHFFFAOYSA-N 1 0 393.491 1.897 40 0 GDABRO [NH3+]CCOc1ccc(C(=O)N2C[C@@H](O)[C@@H](Cc3ccnc4cccnc34)C2)cc1 ZINC000257239274 570767569 /nfs/dbraw/zinc/76/75/69/570767569.db2.gz HOQMALSMPIDJCX-FXAWDEMLSA-N 1 0 392.459 1.643 40 0 GDABRO Cc1nonc1CC(=O)N1CCC[C@@](C)(C(=O)NCC2CC[NH+](C)CC2)C1 ZINC000257251274 570770088 /nfs/dbraw/zinc/77/00/88/570770088.db2.gz JQBPETPMJMEUFN-LJQANCHMSA-N 1 0 377.489 1.007 40 0 GDABRO CC(=O)Nc1ccc(NC(=O)CN2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)cc1 ZINC000257274465 570773874 /nfs/dbraw/zinc/77/38/74/570773874.db2.gz NLDWDTCGWKWDSI-IRXDYDNUSA-N 1 0 396.438 1.360 40 0 GDABRO C[NH2+]CCOc1cccc(C(=O)N[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)c1 ZINC000257281119 570774928 /nfs/dbraw/zinc/77/49/28/570774928.db2.gz ONSBSDWAEDSCCU-VAMGGRTRSA-N 1 0 385.464 1.771 40 0 GDABRO Cc1cc(N2CCC(O)(CN(C)C(=O)CCCC[NH3+])CC2)c2cnccc2n1 ZINC000257280974 570775129 /nfs/dbraw/zinc/77/51/29/570775129.db2.gz ONDRBNQPPNCDJX-UHFFFAOYSA-N 1 0 385.512 1.857 40 0 GDABRO COCCN1C(=O)CC[C@@H](C(=O)N(C)CC[NH+](C)C)[C@@H]1c1ccccc1F ZINC000257297606 570777461 /nfs/dbraw/zinc/77/74/61/570777461.db2.gz RIAVNROOXDVRDB-APWZRJJASA-N 1 0 379.476 1.772 40 0 GDABRO CC(C)Cc1cc(C(=O)N2CCC[C@](O)(C[NH+]3CCCC3)CC2)[nH]c(=O)n1 ZINC000257310517 570779999 /nfs/dbraw/zinc/77/99/99/570779999.db2.gz UFJRFKIKNSVQDY-HXUWFJFHSA-N 1 0 376.501 1.834 40 0 GDABRO CN(Cc1ccc(OCC(=O)NCCC[NH+]2CCCC2)cc1)S(C)(=O)=O ZINC000010539137 570791509 /nfs/dbraw/zinc/79/15/09/570791509.db2.gz YVRHJNLCUIWNET-UHFFFAOYSA-N 1 0 383.514 1.059 40 0 GDABRO CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 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CCn1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)c(C)n1 ZINC000019524539 570996355 /nfs/dbraw/zinc/99/63/55/570996355.db2.gz RCKQSNQOKPZROV-INIZCTEOSA-N 1 0 386.500 1.511 40 0 GDABRO CN(C[C@@H]1OCCc2ccccc21)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1C1CCCC1 ZINC000019586033 571015551 /nfs/dbraw/zinc/01/55/51/571015551.db2.gz BQSGOSKDQZGTIC-UXHICEINSA-N 1 0 385.508 1.892 40 0 GDABRO C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)c4ccc5c(c4)OCO5)C3)[nH]c(=O)c2C1 ZINC000019590272 571017460 /nfs/dbraw/zinc/01/74/60/571017460.db2.gz XDYQEBRWGYAEHU-AWEZNQCLSA-N 1 0 396.447 1.919 40 0 GDABRO COc1ccc(S(=O)(=O)N2CC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)cc1 ZINC000019590652 571017900 /nfs/dbraw/zinc/01/79/00/571017900.db2.gz CXMZKLQWELSRPI-CQSZACIVSA-N 1 0 388.493 1.651 40 0 GDABRO NC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC000019659194 571025002 /nfs/dbraw/zinc/02/50/02/571025002.db2.gz VQHHXUMTIXHOHT-HNNXBMFYSA-N 1 0 383.496 1.541 40 0 GDABRO Cn1ncc2c1ncn(CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c2=O ZINC000019662761 571026645 /nfs/dbraw/zinc/02/66/45/571026645.db2.gz NHOUTABLLURUQD-SFHVURJKSA-N 1 0 394.479 1.473 40 0 GDABRO COc1ccc(S(=O)(=O)N2CCn3c(nnc3[C@@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000019711098 571035129 /nfs/dbraw/zinc/03/51/29/571035129.db2.gz JWNZXYBJEGTGCH-CQSZACIVSA-N 1 0 391.497 1.300 40 0 GDABRO COc1cc(C)ccc1OCC(=O)N1CCn2c(nnc2C2CC[NH+](C)CC2)C1 ZINC000019711283 571035302 /nfs/dbraw/zinc/03/53/02/571035302.db2.gz BIHBFKUJKXTJCW-UHFFFAOYSA-N 1 0 399.495 1.826 40 0 GDABRO COc1ccc(N([C@H](C)C(=O)NCCC[NH+]2CCCCC2)S(C)(=O)=O)cc1 ZINC000010278130 221100051 /nfs/dbraw/zinc/10/00/51/221100051.db2.gz NJQPZAJHWAEARS-MRXNPFEDSA-N 1 0 397.541 1.842 40 0 GDABRO CS(=O)(=O)N1CC=C[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000012201756 221167111 /nfs/dbraw/zinc/16/71/11/221167111.db2.gz ZZAFMKRINOJAIS-QGZVFWFLSA-N 1 0 381.473 1.106 40 0 GDABRO CC(=O)N1CCc2nc(C3CCN(C(=O)[C@@H](C)[NH+]4CCCCC4)CC3)ncc2C1 ZINC000019078087 221394572 /nfs/dbraw/zinc/39/45/72/221394572.db2.gz SNAQXBBRXGMPRK-MRXNPFEDSA-N 1 0 399.539 1.962 40 0 GDABRO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CC[C@@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019077547 221395459 /nfs/dbraw/zinc/39/54/59/221395459.db2.gz RPJTZTXJFILSKN-ZIAGYGMSSA-N 1 0 398.442 1.708 40 0 GDABRO CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C(=O)[C@H](C)[NH+]2CCCCC2)C3)C1 ZINC000019079301 221395639 /nfs/dbraw/zinc/39/56/39/221395639.db2.gz XZPKATDZXLGMOH-WMZOPIPTSA-N 1 0 399.539 1.962 40 0 GDABRO Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CC[N@H+](Cc2cccnc2)C1 ZINC000096244567 136185665 /nfs/dbraw/zinc/18/56/65/136185665.db2.gz SENHXQLBTADGND-NRFANRHFSA-N 1 0 381.480 1.691 40 0 GDABRO C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224320130 136206655 /nfs/dbraw/zinc/20/66/55/136206655.db2.gz QXHXXRMHVCFGHI-QGZVFWFLSA-N 1 0 397.479 1.429 40 0 GDABRO C[N@H+]1CCc2nnc(C3CCN(S(=O)(=O)c4ccccc4)CC3)n2CC1 ZINC000072370877 222240897 /nfs/dbraw/zinc/24/08/97/222240897.db2.gz NHJMDPXSTPSHLP-UHFFFAOYSA-N 1 0 375.498 1.334 40 0 GDABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 ZINC000072380635 222245539 /nfs/dbraw/zinc/24/55/39/222245539.db2.gz RDCXKDSTRQDHGX-OAHLLOKOSA-N 1 0 384.484 1.698 40 0 GDABRO COc1cccc(C(=O)NCCn2nc([C@H]3CC[N@H+](C)C3)c3nccnc32)c1 ZINC000072391614 222248076 /nfs/dbraw/zinc/24/80/76/222248076.db2.gz MNXPMZWCDNYAIH-HNNXBMFYSA-N 1 0 380.452 1.684 40 0 GDABRO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCC[NH+](C)C)cc1 ZINC000408710206 534051926 /nfs/dbraw/zinc/05/19/26/534051926.db2.gz RYGPNGMCSPOLPI-UHFFFAOYSA-N 1 0 382.464 1.541 40 0 GDABRO COCCNC(=O)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(-c2cccc(N)c2)nn1 ZINC000008253939 523920882 /nfs/dbraw/zinc/92/08/82/523920882.db2.gz CTLAABIVZFGQBP-QGTPRVQTSA-N 1 0 384.484 1.000 40 0 biogenic,in-vitro GDABRO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCCCC3)C2)C(=O)N1Cc1ccccc1 ZINC000225381854 534836191 /nfs/dbraw/zinc/83/61/91/534836191.db2.gz ZHYIZJHUHXRLAO-MOPGFXCFSA-N 1 0 383.492 1.378 40 0 biogenic,in-vitro GDABRO CN1[C@@H]2CC[N@@H+](C3CCCCC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCCC1 ZINC000035442388 560079434 /nfs/dbraw/zinc/07/94/34/560079434.db2.gz KPQXRHITXVUXLY-NSHGMRRFSA-N 1 0 376.545 1.595 40 0 biogenic,in-vitro GDABRO C[N@H+](Cc1ccccc1)[C@H]1[C@@H](CNC(=O)c2cccc(F)c2)O[C@@H](CO)[C@H]1O ZINC000030879650 560089990 /nfs/dbraw/zinc/08/99/90/560089990.db2.gz IZOWYLZWESNRFI-FUMNGEBKSA-N 1 0 388.439 1.177 40 0 biogenic,in-vitro GDABRO Cc1ccc([C@@]2(O)CCN(C(=O)C3CN(C(=O)C4CC[NH+](C)CC4)C3)C2)cc1 ZINC000019719843 570210894 /nfs/dbraw/zinc/21/08/94/570210894.db2.gz OJIPOEMRXQYKNH-JOCHJYFZSA-N 1 0 385.508 1.215 40 0 GDABRO CCn1nc(C)cc1C(=O)N1CCC[C@@]2(C[C@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096228413 570221294 /nfs/dbraw/zinc/22/12/94/570221294.db2.gz DIIRRCXYPSXDGG-YLJYHZDGSA-N 1 0 376.501 1.555 40 0 GDABRO O[C@H]1CC[N@H+](CC2(O)CCCC2)C[C@]1(O)COc1cc(F)c(F)c(F)c1 ZINC000585283552 570251828 /nfs/dbraw/zinc/25/18/28/570251828.db2.gz RWFZWPOKJWDIOM-YJBOKZPZSA-N 1 0 375.387 1.586 40 0 GDABRO CC[N@H+](Cc1ccncc1)C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O ZINC000585284346 570253342 /nfs/dbraw/zinc/25/33/42/570253342.db2.gz KAFRVSRTKMLSBT-GMAHTHKFSA-N 1 0 397.519 1.861 40 0 GDABRO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]Cc2ccccc2Cl)C1 ZINC000585290355 570258185 /nfs/dbraw/zinc/25/81/85/570258185.db2.gz AMZNFTPSBYJYIN-MSOLQXFVSA-N 1 0 396.896 1.226 40 0 GDABRO O=C(c1ccco1)N1CCC2(C[N@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000097952839 570261529 /nfs/dbraw/zinc/26/15/29/570261529.db2.gz FGZAIWUDGSMJFH-JOCHJYFZSA-N 1 0 394.475 1.919 40 0 GDABRO CN(C)S(=O)(=O)N(CC(=O)NCCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000216425386 570301250 /nfs/dbraw/zinc/30/12/50/570301250.db2.gz ADKQDZGZFMVRNU-UHFFFAOYSA-N 1 0 386.493 1.041 40 0 GDABRO C[C@@H]1CCC[N@H+](CCCNC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)C1 ZINC000225764113 570614640 /nfs/dbraw/zinc/61/46/40/570614640.db2.gz ARJYUXKICVEDEQ-MRXNPFEDSA-N 1 0 397.541 1.699 40 0 GDABRO CC(=O)N[C@]12CN(C(=O)c3c[nH]c(=O)[nH]3)[C@H](c3ccccc3)[C@H]1CC[N@@H+](C)C2 ZINC000257225443 570763604 /nfs/dbraw/zinc/76/36/04/570763604.db2.gz FGFDKHCJDISJAJ-WRWLIDTKSA-N 1 0 383.452 1.139 40 0 GDABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3cccc(F)c3)CC2)CC1 ZINC000257294132 570776973 /nfs/dbraw/zinc/77/69/73/570776973.db2.gz QSQSCFSYRQDTNH-OAQYLSRUSA-N 1 0 391.487 1.783 40 0 GDABRO COCC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1 ZINC000257313432 570780086 /nfs/dbraw/zinc/78/00/86/570780086.db2.gz USJAKRWLHYUYKO-SFHLNBCPSA-N 1 0 376.497 1.323 40 0 GDABRO CC(C)C(=O)N[C@H]1CCN(C(=O)CCC[NH+]2Cc3ccccc3C2)CC[C@@H]1O ZINC000257324082 570781847 /nfs/dbraw/zinc/78/18/47/570781847.db2.gz WNBWFNUUPBXZJN-PMACEKPBSA-N 1 0 387.524 1.907 40 0 GDABRO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCCCC1)c1cocn1 ZINC000257330513 570783046 /nfs/dbraw/zinc/78/30/46/570783046.db2.gz XOSQSPXLGLFQQJ-YSHGAJCASA-N 1 0 389.427 1.979 40 0 GDABRO CN(C)c1cc(CN(C)S(=O)(=O)Cc2ccccc2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760170 570888083 /nfs/dbraw/zinc/88/80/83/570888083.db2.gz GIAINLVIFWQZFI-QGZVFWFLSA-N 1 0 389.525 1.929 40 0 GDABRO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](C[N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000585103765 570929098 /nfs/dbraw/zinc/92/90/98/570929098.db2.gz JAIUJKVTWMACMO-QZTJIDSGSA-N 1 0 394.537 1.621 40 0 GDABRO C[NH+]1CCC2(CC1)COc1ncccc1S(=O)(=O)N(Cc1cccnc1)C2 ZINC000306125196 570936074 /nfs/dbraw/zinc/93/60/74/570936074.db2.gz CIWWNVRWAPKEHP-UHFFFAOYSA-N 1 0 388.493 1.772 40 0 GDABRO O=S1(=O)c2cccnc2O[C@H]2C[N@H+](C3CCC3)C[C@@H]2N1Cc1ccccn1 ZINC000306126857 570937290 /nfs/dbraw/zinc/93/72/90/570937290.db2.gz FHFIOEIDISVHMP-IRXDYDNUSA-N 1 0 386.477 1.665 40 0 GDABRO CN1CC[NH+](CCC(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)CC1 ZINC000585112523 570943335 /nfs/dbraw/zinc/94/33/35/570943335.db2.gz QVAADUKXIWWSAL-HXUWFJFHSA-N 1 0 397.523 1.299 40 0 GDABRO CCOc1ccc(CC(=O)N2CC[C@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1 ZINC000019532786 570999303 /nfs/dbraw/zinc/99/93/03/570999303.db2.gz FHUPWKDSKPJKRF-INIZCTEOSA-N 1 0 394.479 1.742 40 0 GDABRO COc1ccc(C(=O)N2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)c(OC)c1 ZINC000019551858 571001442 /nfs/dbraw/zinc/00/14/42/571001442.db2.gz RMPJMOGZCBFTFR-CYBMUJFWSA-N 1 0 396.451 1.432 40 0 GDABRO COc1cccc(OC)c1C(=O)N1CC[C@@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019566855 571008150 /nfs/dbraw/zinc/00/81/50/571008150.db2.gz BSGCSHIXTVRGAH-CYBMUJFWSA-N 1 0 396.451 1.432 40 0 GDABRO COc1cccc(C(=O)N2CC[C@H](c3nn(CC[NH3+])c4nccnc34)C2)c1OC ZINC000019567256 571008797 /nfs/dbraw/zinc/00/87/97/571008797.db2.gz NJFVNHMRAYCDGK-ZDUSSCGKSA-N 1 0 396.451 1.432 40 0 GDABRO C[N@@H+]1CC[C@@H](c2nn(CCNC(=O)COC[C@@H]3CCCO3)c3ncccc23)C1 ZINC000019587906 571015839 /nfs/dbraw/zinc/01/58/39/571015839.db2.gz KHSVJBMLCHPSJT-CVEARBPZSA-N 1 0 387.484 1.162 40 0 GDABRO C[NH+](C)CCC1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 ZINC000019665677 571027417 /nfs/dbraw/zinc/02/74/17/571027417.db2.gz KBZXPDFAEOEIOQ-OAQYLSRUSA-N 1 0 386.496 1.644 40 0 GDABRO 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O=S(=O)(NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21)c1ccc(F)cc1 ZINC000019335143 570976079 /nfs/dbraw/zinc/97/60/79/570976079.db2.gz UYACUZSSJRHIBX-GFCCVEGCSA-N 1 0 390.444 1.021 40 0 GDABRO CO[C@@H](C)CN(C)C(=O)C[NH+]1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 ZINC000019455879 570987337 /nfs/dbraw/zinc/98/73/37/570987337.db2.gz WUHZYJASTLYNKS-INIZCTEOSA-N 1 0 390.528 1.642 40 0 GDABRO CCn1cc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cn1 ZINC000019525102 570996955 /nfs/dbraw/zinc/99/69/55/570996955.db2.gz JDQHZFRJVOXNQZ-SFHVURJKSA-N 1 0 395.504 1.309 40 0 GDABRO COc1ccc(C[N@@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)c(OC)c1 ZINC000019552490 571001587 /nfs/dbraw/zinc/00/15/87/571001587.db2.gz JSKZUMVOZNQOGQ-UHFFFAOYSA-N 1 0 384.480 1.988 40 0 GDABRO CC1CC[NH+](CC2(NC(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)CCCCC2)CC1 ZINC000019655266 571023329 /nfs/dbraw/zinc/02/33/29/571023329.db2.gz ZWESWQIIOAXDOH-GOSISDBHSA-N 1 0 399.601 1.656 40 0 GDABRO COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc3n2CC[N@@H+](C)CC3)cc1 ZINC000019710737 571034705 /nfs/dbraw/zinc/03/47/05/571034705.db2.gz RQFWZKBCRDXGFO-INIZCTEOSA-N 1 0 391.497 1.300 40 0 GDABRO CC1CC[NH+](CCCNC(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000224700595 222661665 /nfs/dbraw/zinc/66/16/65/222661665.db2.gz OCWXRZVNNVQAKQ-UHFFFAOYSA-N 1 0 381.542 1.686 40 0 GDABRO COc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000225849656 222700062 /nfs/dbraw/zinc/70/00/62/222700062.db2.gz PZIBHBDPRTYWPB-UHFFFAOYSA-N 1 0 383.514 1.308 40 0 GDABRO CCN(CC)S(=O)(=O)c1cncc(Br)c1N1CC[NH2+]CC1 ZINC000072210852 530805670 /nfs/dbraw/zinc/80/56/70/530805670.db2.gz QOVBLUHXNQNEBY-UHFFFAOYSA-N 1 0 377.308 1.284 40 0 GDABRO Cc1c(Cl)cccc1N(CCCC(=O)NCC[NH+](C)C)S(C)(=O)=O ZINC000224978586 531029842 /nfs/dbraw/zinc/02/98/42/531029842.db2.gz QRDAHHCKVZWGRL-UHFFFAOYSA-N 1 0 375.922 1.872 40 0 GDABRO CC(=O)N[C@@H]1CN(C(=O)CCc2cn(C)c3ccccc23)C2(C1)CC[NH2+]CC2 ZINC000257294894 222771491 /nfs/dbraw/zinc/77/14/91/222771491.db2.gz QWEHUBZOKLTMQY-SFHVURJKSA-N 1 0 382.508 1.970 40 0 GDABRO 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ZINC000022258783 570329406 /nfs/dbraw/zinc/32/94/06/570329406.db2.gz FXTCKUYSNBTVMY-DLBZAZTESA-N 1 0 381.542 1.710 40 0 GDABRO O=C(c1ccccc1)N1C[C@@H]2COCCN2C2(C[NH+](CC3CCOCC3)C2)C1 ZINC000604381167 570352249 /nfs/dbraw/zinc/35/22/49/570352249.db2.gz DTLGXJHZILFDIL-HXUWFJFHSA-N 1 0 385.508 1.324 40 0 biogenic,in-vitro GDABRO COc1cc2c(cc1OC)[C@]13CC[N@H+]4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5[C@H]3C4 ZINC000004403676 570373596 /nfs/dbraw/zinc/37/35/96/570373596.db2.gz SNIQKBBBJUCTFG-IMTUZFDOSA-N 1 0 394.471 1.967 40 0 GDABRO COc1ccc(C)cc1N([C@H](C)C(=O)NC1CC[NH+](C)CC1)S(C)(=O)=O ZINC000220350531 570385461 /nfs/dbraw/zinc/38/54/61/570385461.db2.gz LNZBNMUXIKWTJL-CQSZACIVSA-N 1 0 383.514 1.369 40 0 GDABRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3C[NH+]4CCC3CC4)CC2)cc1 ZINC000035315264 570469477 /nfs/dbraw/zinc/46/94/77/570469477.db2.gz KLOIOAJXTOIRLS-LJQANCHMSA-N 1 0 391.537 1.606 40 0 GDABRO COc1ccc2cc(CN(CCO)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2c1 ZINC000004133122 570618275 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1.834 40 0 GDABRO COCCN1C(=O)CC[C@@H](C(=O)N(C)CC[NH+](C)C)[C@@H]1c1ccccc1OC ZINC000257268786 570773035 /nfs/dbraw/zinc/77/30/35/570773035.db2.gz MNFCJPBCFCMTAN-XLIONFOSSA-N 1 0 391.512 1.641 40 0 GDABRO CC(=O)N[C@H]1CC[C@](CNC(=O)C2CC[NH2+]CC2)(c2ccccc2)CC[C@@H]1O ZINC000257289192 570776587 /nfs/dbraw/zinc/77/65/87/570776587.db2.gz PXLGFSZFEDHNIH-ONTIZHBOSA-N 1 0 387.524 1.480 40 0 GDABRO [NH3+][C@@H]1C[C@@H](Oc2ccc(F)c(F)c2)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1 ZINC000257294772 570777470 /nfs/dbraw/zinc/77/74/70/570777470.db2.gz QVQRIBJRVZXYQT-CGXNFDGLSA-N 1 0 389.446 1.995 40 0 GDABRO CN(C[C@@]1(O)CCN(c2ccnc3cccnc32)C1)C(=O)c1ccc(C[NH3+])cc1 ZINC000257322560 570781376 /nfs/dbraw/zinc/78/13/76/570781376.db2.gz WGMKCARNEBRREZ-QFIPXVFZSA-N 1 0 391.475 1.802 40 0 GDABRO CC(=O)Nc1nc(C)c(C(=O)N2CCC[C@@](O)(C[NH+]3CCOCC3)CC2)s1 ZINC000257331301 570783049 /nfs/dbraw/zinc/78/30/49/570783049.db2.gz XSGHOYPGBQOYNZ-SFHVURJKSA-N 1 0 396.513 1.099 40 0 GDABRO O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1)c1ccn[nH]1 ZINC000257337264 570783895 /nfs/dbraw/zinc/78/38/95/570783895.db2.gz YSBCWNGQXDHDOB-KCZVDYSFSA-N 1 0 398.507 1.713 40 0 GDABRO O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCC(O)CC1)c1ccccn1 ZINC000257337062 570783986 /nfs/dbraw/zinc/78/39/86/570783986.db2.gz YRFKHGLCKXTITR-CGXNFDGLSA-N 1 0 397.475 1.218 40 0 GDABRO COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCC[NH+]1CCCC1 ZINC000010450190 570790946 /nfs/dbraw/zinc/79/09/46/570790946.db2.gz JEMTZVAHJKSPHT-UHFFFAOYSA-N 1 0 395.525 1.695 40 0 GDABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)C(C)C)CC1)C2=O ZINC000019701348 570896117 /nfs/dbraw/zinc/89/61/17/570896117.db2.gz ZNXIRRURRPZICL-UHFFFAOYSA-N 1 0 378.517 1.676 40 0 GDABRO C[NH+]1CCC(CN2CC[C@]3(CCCN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)C3)C2=O)CC1 ZINC000585101019 570928554 /nfs/dbraw/zinc/92/85/54/570928554.db2.gz VQNVGXYQESQEOL-OOSNJVJTSA-N 1 0 375.513 1.062 40 0 GDABRO Cc1cccc(C[N@@H+]2CC[C@]3(C2)Cn2c(=O)c(=O)n(CC4CC4)nc2CO3)c1 ZINC000306124060 570935947 /nfs/dbraw/zinc/93/59/47/570935947.db2.gz BENBKNUGZXHFIK-NRFANRHFSA-N 1 0 382.464 1.298 40 0 GDABRO Cn1cnc(S(=O)(=O)N2Cc3ccnn3[C@@H](CC[NH+]3CCCCC3)C2)c1 ZINC000306128130 570938263 /nfs/dbraw/zinc/93/82/63/570938263.db2.gz GQWXJBVSWRCRQD-INIZCTEOSA-N 1 0 378.502 1.238 40 0 GDABRO COCCN1CCO[C@@]2(C[N@H+](CC3CCCCC3)C[C@H]2c2ccnn2C)C1=O ZINC000306131140 570939979 /nfs/dbraw/zinc/93/99/79/570939979.db2.gz JXTSBJDVVXBRSW-GHTZIAJQSA-N 1 0 390.528 1.644 40 0 GDABRO CN1c2nn(CC3CCCCC3)c(=O)c(=O)n2CC12CC[NH+](CC1CC1)CC2 ZINC000306135732 570941978 /nfs/dbraw/zinc/94/19/78/570941978.db2.gz OZGWYOJZRZODAY-UHFFFAOYSA-N 1 0 387.528 1.680 40 0 GDABRO Cc1nc(CN2CC[C@]3(CN(C(=O)C4CC4)C[C@@H]3c3cn(C)cn3)C2=O)cs1 ZINC000306138544 570943674 /nfs/dbraw/zinc/94/36/74/570943674.db2.gz SAEQWHXHZPURPO-OXQOHEQNSA-N 1 0 399.520 1.940 40 0 GDABRO Cc1c(CN2CCO[C@@]3(CCCC[C@H]3NS(=O)(=O)CC(C)C)C2)cnn1C ZINC000306138910 570943934 /nfs/dbraw/zinc/94/39/34/570943934.db2.gz SKOXJJGHIBTXFA-MOPGFXCFSA-N 1 0 398.573 1.818 40 0 GDABRO CCc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(=O)c(=O)n(CC4CC4)nc2CO3)cc1 ZINC000306140288 570944853 /nfs/dbraw/zinc/94/48/53/570944853.db2.gz UOZVIQBRTFZUQS-JOCHJYFZSA-N 1 0 396.491 1.552 40 0 GDABRO Cc1ccc(O[C@@H](C)C(=O)N2CC[C@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1 ZINC000019210782 570960587 /nfs/dbraw/zinc/96/05/87/570960587.db2.gz NYKBSPMOSUTIIA-HOTGVXAUSA-N 1 0 394.479 1.877 40 0 GDABRO O=C(COc1ccc(F)cc1)NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21 ZINC000019335767 570975953 /nfs/dbraw/zinc/97/59/53/570975953.db2.gz QIGIUSLOIWNLBK-ZDUSSCGKSA-N 1 0 384.415 1.238 40 0 GDABRO C[N@@H+]1CCC[C@H](c2ncc3c(n2)CCN(C(=O)C[C@@H]2CC(C)(C)OC2=O)C3)C1 ZINC000019460951 570988772 /nfs/dbraw/zinc/98/87/72/570988772.db2.gz WFJXFSUGYKFXCX-LSDHHAIUSA-N 1 0 386.496 1.902 40 0 GDABRO CCOc1ccccc1C(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21 ZINC000019520155 570994151 /nfs/dbraw/zinc/99/41/51/570994151.db2.gz DZIYNWAMHHEVDT-CQSZACIVSA-N 1 0 380.452 1.732 40 0 GDABRO CCN1CC[NH+](C2CCN(C(=O)CCc3nc(-c4cccnc4)no3)CC2)CC1 ZINC000019528126 570998224 /nfs/dbraw/zinc/99/82/24/570998224.db2.gz FZKRBRJUNWGQJQ-UHFFFAOYSA-N 1 0 398.511 1.693 40 0 GDABRO COc1ccc(CC(=O)N2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1 ZINC000019554050 571002538 /nfs/dbraw/zinc/00/25/38/571002538.db2.gz UVEANWYINSPPRC-OAHLLOKOSA-N 1 0 380.452 1.352 40 0 GDABRO COc1ccc(C)cc1S(=O)(=O)N1CCc2nnc([C@@H]3CCC[NH2+]3)n2CC1 ZINC000019706396 571032432 /nfs/dbraw/zinc/03/24/32/571032432.db2.gz IVYLKPQMDFFFBR-AWEZNQCLSA-N 1 0 391.497 1.267 40 0 GDABRO O=C(NCCC[NH+]1CCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000007071432 530544104 /nfs/dbraw/zinc/54/41/04/530544104.db2.gz VGHGYWHFQFVVDB-UHFFFAOYSA-N 1 0 385.555 1.751 40 0 GDABRO CC1(C)CN(S(=O)(=O)c2ccccc2)C[C@@H]2C[N@@H+](C3CCOCC3)CCN21 ZINC000253395975 212136326 /nfs/dbraw/zinc/13/63/26/212136326.db2.gz CXQDUTZCRLNHMH-SFHVURJKSA-N 1 0 393.553 1.635 40 0 biogenic,in-vitro GDABRO 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1.294 40 0 GDABRO CCOC(=O)C1=C(O)NC(N2CCN(C)CC2)=[NH+][C@H]1c1cccc(Cl)c1 ZINC000020801683 570281773 /nfs/dbraw/zinc/28/17/73/570281773.db2.gz FLIOQZPDDXMGML-GJZGRUSLSA-N 1 0 378.860 1.294 40 0 GDABRO Cc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1C(=O)N1CCOCC1 ZINC000408618403 570365048 /nfs/dbraw/zinc/36/50/48/570365048.db2.gz GDGIPSDDDYAZOZ-UHFFFAOYSA-N 1 0 392.481 1.033 40 0 GDABRO Cc1cc2ccccc2n2c(=O)n(CCNC(=O)[C@@H](C)C[NH+]3CCOCC3)nc12 ZINC000036735084 570568812 /nfs/dbraw/zinc/56/88/12/570568812.db2.gz TYRCWCGBMBEXEN-INIZCTEOSA-N 1 0 397.479 1.042 40 0 GDABRO Cc1cc(S(=O)(=O)NCCCN2CC[NH+](C)CC2)ccc1N1CCCC1=O ZINC000044847377 570635303 /nfs/dbraw/zinc/63/53/03/570635303.db2.gz QMDUVLMTFUIHPG-UHFFFAOYSA-N 1 0 394.541 1.038 40 0 GDABRO O=S(=O)(c1cccc(F)c1)N1Cc2ccnn2C[C@H](C[NH+]2CCCC2)C1 ZINC000247341889 570714991 /nfs/dbraw/zinc/71/49/91/570714991.db2.gz SKNZJDVDJZZYBX-OAHLLOKOSA-N 1 0 378.473 1.939 40 0 GDABRO O=S(=O)(c1cccc(F)c1)N1Cc2ccnn2C[C@@H](C[NH+]2CCCC2)C1 ZINC000247341879 570715144 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UFJRFKIKNSVQDY-FQEVSTJZSA-N 1 0 376.501 1.834 40 0 GDABRO CCn1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)cn1 ZINC000585100745 570925316 /nfs/dbraw/zinc/92/53/16/570925316.db2.gz VEUDGINAYHQKFV-OAQYLSRUSA-N 1 0 387.528 1.873 40 0 GDABRO CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1CN(C(=O)Cc1ccn(C)n1)CCC2 ZINC000585108027 570939627 /nfs/dbraw/zinc/93/96/27/570939627.db2.gz FCMCXKRVRIPFND-JXFKEZNVSA-N 1 0 376.501 1.475 40 0 GDABRO C[N@@H+]1C[C@H](C(=O)NCc2cccs2)OC2(CCN(C(=O)C3CC3)CC2)C1 ZINC000306140106 570944372 /nfs/dbraw/zinc/94/43/72/570944372.db2.gz UJZDFPPUUWVKCY-MRXNPFEDSA-N 1 0 377.510 1.466 40 0 GDABRO Cc1cccc(C)c1OCC(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21 ZINC000019236073 570966357 /nfs/dbraw/zinc/96/63/57/570966357.db2.gz ZUNUHDSJMZCLOI-MRXNPFEDSA-N 1 0 394.479 1.715 40 0 GDABRO C[C@H]1CCCCN1C(=O)C[NH+]1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 ZINC000019496279 570989457 /nfs/dbraw/zinc/98/94/57/570989457.db2.gz BZYMJPMBCKFJRM-KRWDZBQOSA-N 1 0 398.507 1.624 40 0 GDABRO CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)NCCC[NH+]3CCC(C(N)=O)CC3)c2C1 ZINC000019661498 571025897 /nfs/dbraw/zinc/02/58/97/571025897.db2.gz PYQSMFJSWDSPDE-OAHLLOKOSA-N 1 0 389.544 1.878 40 0 GDABRO Cc1cc(C(=O)N[C@H](CC[NH+](C)C)c2ccccc2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019716338 571038362 /nfs/dbraw/zinc/03/83/62/571038362.db2.gz FLCOPBQMEQALHS-MRXNPFEDSA-N 1 0 395.463 1.353 40 0 GDABRO CCOCCC[NH2+]Cc1cc(Br)c(OCC(N)=O)c(OC)c1 ZINC000008253130 530549176 /nfs/dbraw/zinc/54/91/76/530549176.db2.gz FSBAPODFNHCWMK-UHFFFAOYSA-N 1 0 375.263 1.838 40 0 GDABRO COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCC[NH+](C)C)S(C)(=O)=O ZINC000013676367 530559128 /nfs/dbraw/zinc/55/91/28/530559128.db2.gz QBINOHANZWKVNL-LBPRGKRZSA-N 1 0 391.921 1.571 40 0 GDABRO [NH3+]CCNc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1 ZINC000098181683 530822729 /nfs/dbraw/zinc/82/27/29/530822729.db2.gz HCNUSGQZCXEZIN-UHFFFAOYSA-N 1 0 385.153 1.148 40 0 GDABRO COc1ccccc1C(=O)N[C@H]1C[C@@H](c2nc(-c3cnccn3)no2)N(C)C1 ZINC000012529698 291111051 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40 0 GDABRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1 ZINC000061239026 222061099 /nfs/dbraw/zinc/06/10/99/222061099.db2.gz AAJRSCRUWLNFSR-UHFFFAOYSA-N 1 0 393.553 1.998 40 0 GDABRO C[N@H+]1CCc2nnc([C@@H]3CCCN(C(=O)COc4ccccc4F)C3)n2CC1 ZINC000072370924 222241423 /nfs/dbraw/zinc/24/14/23/222241423.db2.gz ZQEWRJHDRRFWMJ-OAHLLOKOSA-N 1 0 387.459 1.690 40 0 GDABRO COc1cccc(N(C)CCC(=O)N2CCC[C@@H]2c2nnc3n2CC[N@@H+](C)C3)c1 ZINC000072373921 222242942 /nfs/dbraw/zinc/24/29/42/222242942.db2.gz DKZAZIDZPOBWOU-GOSISDBHSA-N 1 0 398.511 1.922 40 0 GDABRO COC1CCC(C(=O)NCCn2nc([C@@H]3CC[N@H+](C)C3)c3nccnc32)CC1 ZINC000072391661 222249287 /nfs/dbraw/zinc/24/92/87/222249287.db2.gz MGIICHPNRCRYEB-HWOWSKLDSA-N 1 0 386.500 1.567 40 0 GDABRO CO[C@H]1CCC[C@@H](C(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)C1 ZINC000072398717 222253899 /nfs/dbraw/zinc/25/38/99/222253899.db2.gz XEVRRHKSVUXLER-PMPSAXMXSA-N 1 0 388.512 1.669 40 0 GDABRO C[NH+](C)CCN1c2ccccc2C2(CCN(C(=O)c3cnccn3)CC2)C1=O ZINC000096078906 222377525 /nfs/dbraw/zinc/37/75/25/222377525.db2.gz VOJUHJCUHJEPBX-UHFFFAOYSA-N 1 0 379.464 1.559 40 0 GDABRO COCCN1[C@H]2CC[N@H+](CCOC)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145808 222390043 /nfs/dbraw/zinc/39/00/43/222390043.db2.gz SIKVDTDCDRRAHB-HOTGVXAUSA-N 1 0 384.498 1.196 40 0 GDABRO CCOc1ccc(N(CCCC(=O)NC2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000113960972 222520453 /nfs/dbraw/zinc/52/04/53/222520453.db2.gz XWEDJKICBOWDOV-UHFFFAOYSA-N 1 0 397.541 1.842 40 0 GDABRO O=S(=O)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCOCC1)c1ccccc1 ZINC000095252498 527229089 /nfs/dbraw/zinc/22/90/89/527229089.db2.gz JWQNVHNGQDKCDN-OKZBNKHCSA-N 1 0 379.526 1.008 40 0 biogenic,in-vitro GDABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000408708751 529102080 /nfs/dbraw/zinc/10/20/80/529102080.db2.gz MCZUFVMVLHLKEK-HNNXBMFYSA-N 1 0 398.463 1.749 40 0 GDABRO C[NH+](C)CC(=O)N1CCN(c2ccc3ccc(C(=O)NC4CCCC4)cn32)CC1 ZINC000096267379 570227717 /nfs/dbraw/zinc/22/77/17/570227717.db2.gz OGHMCUNFMMIPBH-UHFFFAOYSA-N 1 0 397.523 1.822 40 0 GDABRO O=C1C2=C(C(=O)N1c1ccccc1)[C@@H](c1ccccc1)[NH+]=C(N1CCOCC1)N2 ZINC000020555775 570277581 /nfs/dbraw/zinc/27/75/81/570277581.db2.gz VZEFGLCMCHQMBW-GOSISDBHSA-N 1 0 388.427 1.847 40 0 GDABRO CCC[N@@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC(=O)N(C)C)[C@H]2CC1 ZINC000107184667 570308703 /nfs/dbraw/zinc/30/87/03/570308703.db2.gz JJZIOCLDRJPPEA-HOTGVXAUSA-N 1 0 395.525 1.401 40 0 GDABRO COC(=O)CCC(=O)N1CC[C@H]2[N@H+](C)CC[C@@]2(C(=O)Nc2cccnc2)CC1 ZINC000107183224 570308761 /nfs/dbraw/zinc/30/87/61/570308761.db2.gz XDSMBYUULCSKGW-OXQOHEQNSA-N 1 0 388.468 1.286 40 0 GDABRO CCCNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCC(F)(F)CC3)[C@@H](O)[C@H]2O1 ZINC000604381852 570352813 /nfs/dbraw/zinc/35/28/13/570352813.db2.gz RNHHFUMOWUGNQN-SZVRAQGESA-N 1 0 376.444 1.356 40 0 biogenic,in-vitro GDABRO Cc1ccc(CN(CC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)S(C)(=O)=O)cc1 ZINC000222969940 570434058 /nfs/dbraw/zinc/43/40/58/570434058.db2.gz KYUFGRHJWJKJLW-GOSISDBHSA-N 1 0 395.569 1.995 40 0 GDABRO O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000225084728 570547868 /nfs/dbraw/zinc/54/78/68/570547868.db2.gz QGPFHKMSPPWJBK-UHFFFAOYSA-N 1 0 379.482 1.494 40 0 GDABRO CS(=O)(=O)N1CCC(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000046375512 570651327 /nfs/dbraw/zinc/65/13/27/570651327.db2.gz TXSFPZVXMMHDNC-UHFFFAOYSA-N 1 0 379.526 1.570 40 0 GDABRO C[C@H]1CCC[N@H+](CCCNC(=O)CN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000260764769 570704316 /nfs/dbraw/zinc/70/43/16/570704316.db2.gz MFZGHPCMFBAPNH-KRWDZBQOSA-N 1 0 381.542 1.686 40 0 GDABRO C[C@H]1CCC[N@H+](CCCNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)C1 ZINC000260810967 570707321 /nfs/dbraw/zinc/70/73/21/570707321.db2.gz LMSCXSQIRAKSKO-INIZCTEOSA-N 1 0 399.532 1.826 40 0 GDABRO CC(=O)Nc1ccc(C(=O)N2CCC[C@](O)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000257308583 570779343 /nfs/dbraw/zinc/77/93/43/570779343.db2.gz TXHCHHABBIKNQN-OAQYLSRUSA-N 1 0 388.512 1.250 40 0 GDABRO CC(C)(C)c1cc(C(=O)N2CCC[C@@](O)(C[NH+]3CCCC3)CC2)[nH]c(=O)n1 ZINC000257316590 570780274 /nfs/dbraw/zinc/78/02/74/570780274.db2.gz VGEYACRRDYLQBV-FQEVSTJZSA-N 1 0 376.501 1.933 40 0 GDABRO O=C(c1cc2cc(Cl)ccc2[nH]1)N1CC[C@@H](O)[C@@H](O)[C@H](N2CCOCC2)C1 ZINC000257330123 570782321 /nfs/dbraw/zinc/78/23/21/570782321.db2.gz XMYLGOHAQOOFAS-KURKYZTESA-N 1 0 393.871 1.090 40 0 GDABRO COc1cc(C)c(S(=O)(=O)N2C[C@@H](NC(C)=O)CC23CC[NH2+]CC3)cc1C ZINC000019704123 570819756 /nfs/dbraw/zinc/81/97/56/570819756.db2.gz DTCCOMJQYCKVCB-INIZCTEOSA-N 1 0 395.525 1.333 40 0 GDABRO O=C(Cc1ccc(O)cc1)N1CCC2(CO[C@@H](C[N@H+]3CCC[C@H]3CO)C2)CC1 ZINC000585103787 570929238 /nfs/dbraw/zinc/92/92/38/570929238.db2.gz JWGVXXMXXSHHKS-AZUAARDMSA-N 1 0 388.508 1.789 40 0 GDABRO COC[C@H]1CC2(C[N@@H+]1Cc1cccnc1)CCN(C(=O)c1ncn(C)n1)CC2 ZINC000585103510 570932236 /nfs/dbraw/zinc/93/22/36/570932236.db2.gz HJZRIOZRHUVBBM-QGZVFWFLSA-N 1 0 384.484 1.353 40 0 GDABRO O=S(=O)(Cc1ccccc1)N1CCC2(CO[C@H](C[N@H+]3CC[C@H](O)C3)C2)CC1 ZINC000585104234 570933227 /nfs/dbraw/zinc/93/32/27/570933227.db2.gz OHKOONIPELNVBU-OALUTQOASA-N 1 0 394.537 1.454 40 0 GDABRO COc1ncccc1C[N@H+]1C[C@H]2Cc3nnc(C(=O)NC4CCC4)n3C[C@@H]2C1 ZINC000306126771 570937263 /nfs/dbraw/zinc/93/72/63/570937263.db2.gz FEZWPURUBGCFOS-CABCVRRESA-N 1 0 382.468 1.268 40 0 GDABRO Cc1cccc(S(=O)(=O)NC[C@@H]2CC[C@]3(COCC[N@@H+](C(C)C)C3)O2)c1 ZINC000306130220 570939356 /nfs/dbraw/zinc/93/93/56/570939356.db2.gz IZKVDZSSLUJNGR-HKUYNNGSSA-N 1 0 382.526 1.932 40 0 GDABRO Cc1ccc(C[N@H+]2CC[C@@]3(C2)Cn2c(nn(C(C)C)c(=O)c2=O)CO3)s1 ZINC000306134235 570941618 /nfs/dbraw/zinc/94/16/18/570941618.db2.gz NGUJBNZGBZICLZ-GOSISDBHSA-N 1 0 376.482 1.531 40 0 GDABRO COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CC[N@H+](Cc3cnn(C)c3)C2)cc1 ZINC000306141841 570945240 /nfs/dbraw/zinc/94/52/40/570945240.db2.gz WHXIDRSINQFUGJ-OAQYLSRUSA-N 1 0 392.463 1.595 40 0 GDABRO COc1c(C)cccc1C[N@@H+]1CC[C@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1 ZINC000019235907 570965965 /nfs/dbraw/zinc/96/59/65/570965965.db2.gz ZFYHEMQHFZDBOR-INIZCTEOSA-N 1 0 384.480 1.913 40 0 GDABRO C[C@H]1Cc2cc(C(=O)NCCn3nc([C@@H]4CC[NH2+]C4)c4nccnc43)ccc2O1 ZINC000019497996 570990523 /nfs/dbraw/zinc/99/05/23/570990523.db2.gz RLNGZLHOWOWPNB-DZGCQCFKSA-N 1 0 392.463 1.657 40 0 GDABRO COCCc1ncc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cn1 ZINC000019593838 571020518 /nfs/dbraw/zinc/02/05/18/571020518.db2.gz GMHWACHYPUZTDH-KRWDZBQOSA-N 1 0 392.463 1.800 40 0 GDABRO CC(=O)NC1(CC(=O)N2CCC[C@H]2c2nnc3n2CC[NH2+]CC3)CCCCC1 ZINC000019710683 571034552 /nfs/dbraw/zinc/03/45/52/571034552.db2.gz MYWVYJVVNOPZGN-INIZCTEOSA-N 1 0 388.516 1.316 40 0 GDABRO CCN(CC)S(=O)(=O)N1CCc2nc(C3CC[NH+](C)CC3)nc(NC)c2C1 ZINC000019711076 571035179 /nfs/dbraw/zinc/03/51/79/571035179.db2.gz ZWUBWLPGSQHZFK-UHFFFAOYSA-N 1 0 396.561 1.272 40 0 GDABRO CC1CC[NH+]([C@H]2[C@@H](CNC(=O)Nc3cccc(Cl)c3)O[C@@H](CO)[C@H]2O)CC1 ZINC000020466012 575368683 /nfs/dbraw/zinc/36/86/83/575368683.db2.gz GKTGOLGCCROIAU-VSZNYVQBSA-N 1 0 397.903 1.683 40 0 biogenic,in-vitro GDABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)Cc1ccccc1F ZINC000222685695 222611452 /nfs/dbraw/zinc/61/14/52/222611452.db2.gz XSQMNXMAFMJAHE-UHFFFAOYSA-N 1 0 399.532 1.970 40 0 GDABRO CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCC[NH+](C)C)cc1 ZINC000408710052 529651145 /nfs/dbraw/zinc/65/11/45/529651145.db2.gz NAWJLZGORADFFH-UHFFFAOYSA-N 1 0 396.491 1.795 40 0 GDABRO CCc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(=O)c(=O)n(CC4CC4)nc2CO3)cc1 ZINC000306140289 222802776 /nfs/dbraw/zinc/80/27/76/222802776.db2.gz UOZVIQBRTFZUQS-QFIPXVFZSA-N 1 0 396.491 1.552 40 0 GDABRO CCOC(=O)c1ccc(N(C[C@H](O)C[NH3+])S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002034985 212262315 /nfs/dbraw/zinc/26/23/15/212262315.db2.gz VNCPWZKYCWZLQY-QGZVFWFLSA-N 1 0 392.477 1.687 40 0 GDABRO CC1CC[NH+](CCCNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)CC1 ZINC000013612828 221277174 /nfs/dbraw/zinc/27/71/74/221277174.db2.gz FCDMBQUSLGALEQ-UHFFFAOYSA-N 1 0 385.505 1.830 40 0 GDABRO [NH3+]CCN1C(=O)CO[C@H](c2ccc(NC(=O)NCc3ccccc3)cc2)[C@H]1CO ZINC000072321361 222226073 /nfs/dbraw/zinc/22/60/73/222226073.db2.gz LLDQQOAPIHLOMO-UYAOXDASSA-N 1 0 398.463 1.228 40 0 biogenic,in-vitro GDABRO COc1ccc(C[N@@H+]2C[C@@H](C(=O)N(C)C)[C@]3(C2)Cc2ccccc2C(=O)N3)cc1 ZINC000072334449 222230457 /nfs/dbraw/zinc/23/04/57/222230457.db2.gz RRCNNXFPLRGCJW-NZQKXSOJSA-N 1 0 393.487 1.940 40 0 GDABRO O=C([C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccncc3)CC2)O1)N1CCCC1 ZINC000096036833 222373550 /nfs/dbraw/zinc/37/35/50/222373550.db2.gz SAKBJTRCGLVJHZ-GOSISDBHSA-N 1 0 381.480 1.791 40 0 GDABRO COc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@H](CN4CCOCC4)O3)C2)cc1 ZINC000096052363 222375718 /nfs/dbraw/zinc/37/57/18/222375718.db2.gz GTCHLPUGLZBBJY-RTWAWAEBSA-N 1 0 376.497 1.777 40 0 GDABRO Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCC[NH+]1CCCCC1 ZINC000408701111 534206030 /nfs/dbraw/zinc/20/60/30/534206030.db2.gz RPZQOLWSJYORFI-UHFFFAOYSA-N 1 0 379.526 1.995 40 0 GDABRO COc1ccc(CN2CC3(C2)CN(Cc2cccnc2)C[C@@H]2C[C@@H](O)C[N@H+]23)cc1 ZINC000514290394 560029328 /nfs/dbraw/zinc/02/93/28/560029328.db2.gz XWGOJJXSPNKFAJ-LEWJYISDSA-N 1 0 394.519 1.596 40 0 biogenic,in-vitro GDABRO CC(C)NC(=O)NC[C@H]1O[C@H](Cc2cc(C[NH+]3CCCCC3)on2)CC[C@@H]1O ZINC000096269007 560054293 /nfs/dbraw/zinc/05/42/93/560054293.db2.gz WPGUCWDYRGJHEY-YTQUADARSA-N 1 0 394.516 1.819 40 0 biogenic,in-vitro GDABRO O=C(Cc1ccccc1F)Nc1cnn(CC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000019749486 570215136 /nfs/dbraw/zinc/21/51/36/570215136.db2.gz RDUIRSUVOYNAAX-SFHVURJKSA-N 1 0 399.470 1.900 40 0 GDABRO O[C@]1(CN2CCOCC2)CC[N@H+](Cc2ccc(OCCn3cccn3)cc2)C1 ZINC000585270576 570239315 /nfs/dbraw/zinc/23/93/15/570239315.db2.gz MOTFUODFJOQAKT-NRFANRHFSA-N 1 0 386.496 1.231 40 0 GDABRO COCC(=O)N1CC[N@@H+](C2CCCC2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585281733 570247897 /nfs/dbraw/zinc/24/78/97/570247897.db2.gz QKZFDRGJHIVUDQ-NRFANRHFSA-N 1 0 376.497 1.838 40 0 GDABRO COCC(=O)N1CC[N@@H+](C2CCC2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585282021 570249610 /nfs/dbraw/zinc/24/96/10/570249610.db2.gz FXLBGXHHOAEQHY-LJQANCHMSA-N 1 0 384.423 1.418 40 0 GDABRO O=C(Cc1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]CCOc2ccccc2)C1 ZINC000585283610 570251955 /nfs/dbraw/zinc/25/19/55/570251955.db2.gz FKBKSTDADABHRQ-RBBKRZOGSA-N 1 0 384.476 1.222 40 0 GDABRO C[N@H+](CCc1ccccc1)C[C@@]1(O)CCN(C(=O)Cc2ccccc2)C[C@@H]1O ZINC000585285126 570254288 /nfs/dbraw/zinc/25/42/88/570254288.db2.gz OCVFDKVABSYPBA-GMAHTHKFSA-N 1 0 382.504 1.728 40 0 GDABRO O=C(Cc1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000585285210 570254347 /nfs/dbraw/zinc/25/43/47/570254347.db2.gz PIPLXGWKIWSJIE-PZJWPPBQSA-N 1 0 388.895 1.997 40 0 GDABRO CCOc1cc(CNCC[NH2+]C[C@H](C)O)ccc1OCC(=O)NC(C)(C)C ZINC000022075878 570321735 /nfs/dbraw/zinc/32/17/35/570321735.db2.gz UDSOZHDTFHGHIA-HNNXBMFYSA-N 1 0 381.517 1.439 40 0 GDABRO COc1ccc(S[C@H](C)C(=O)NCCCN2CC[NH+](C)CC2)cc1OC ZINC000038753575 570581896 /nfs/dbraw/zinc/58/18/96/570581896.db2.gz IZNWBJINUBTUDO-OAHLLOKOSA-N 1 0 381.542 1.938 40 0 GDABRO Cc1ccc(CN(CC(=O)NCCC[NH+]2CCCCC2)S(C)(=O)=O)cc1 ZINC000225574536 570589895 /nfs/dbraw/zinc/58/98/95/570589895.db2.gz FREKXOVDNDFFGV-UHFFFAOYSA-N 1 0 381.542 1.749 40 0 GDABRO COCCN1C(=O)CC[C@@H](C(=O)NCC[NH+]2CCCC2)[C@@H]1c1ccccc1F ZINC000257239337 570767429 /nfs/dbraw/zinc/76/74/29/570767429.db2.gz HOVBNRLPSLLKPE-XLIONFOSSA-N 1 0 391.487 1.964 40 0 GDABRO [NH3+]CCOc1ccc(C(=O)N2C[C@@H](O)[C@@H](Cc3cn4cccc4cn3)C2)cc1 ZINC000257255188 570770888 /nfs/dbraw/zinc/77/08/88/570770888.db2.gz KGMVURHYBFKZKF-OXJNMPFZSA-N 1 0 380.448 1.347 40 0 GDABRO CNC(=O)c1sc2nc([C@H]3CCCCN3C(=O)C[NH+](C)C)ccc2c1N ZINC000257256898 570770988 /nfs/dbraw/zinc/77/09/88/570770988.db2.gz KNIOZNADBIBQGD-CYBMUJFWSA-N 1 0 375.498 1.853 40 0 GDABRO CNc1nc([C@H]2CCN(C(=O)CC3(O)CCCCC3)C2)nc2c1CN(C)CC2 ZINC000257272482 570773369 /nfs/dbraw/zinc/77/33/69/570773369.db2.gz NCOOINUXPWYGHM-HNNXBMFYSA-N 1 0 387.528 1.907 40 0 GDABRO Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N1CCN(C)[C@H](C(=O)N(C)C)C1 ZINC000257287610 570776097 /nfs/dbraw/zinc/77/60/97/570776097.db2.gz PQSJGLFSNPTZNY-KRWDZBQOSA-N 1 0 376.888 1.903 40 0 GDABRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCC(O)CC1 ZINC000257304829 570778498 /nfs/dbraw/zinc/77/84/98/570778498.db2.gz SNHWRSMWFBGALN-YRXWBPOGSA-N 1 0 392.496 1.917 40 0 GDABRO CC(=O)Nc1ccc(C(=O)N2CCC[C@@](O)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000257308582 570779382 /nfs/dbraw/zinc/77/93/82/570779382.db2.gz TXHCHHABBIKNQN-NRFANRHFSA-N 1 0 388.512 1.250 40 0 GDABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@]3(Cc4c(nc(N)nc4N)O3)CC2)cc1 ZINC000257330172 570782388 /nfs/dbraw/zinc/78/23/88/570782388.db2.gz XNEVCNNDSOKWAL-FQEVSTJZSA-N 1 0 382.468 1.959 40 0 GDABRO Cn1cc(C(=O)N2CCC3(CC2)COCCN(CC[NH+](C)C)C3)c(C(F)F)n1 ZINC000585102436 570930615 /nfs/dbraw/zinc/93/06/15/570930615.db2.gz JSFGVQZDPNFHBD-UHFFFAOYSA-N 1 0 399.486 1.474 40 0 GDABRO O=S(=O)(c1ccccc1)N1CCC2(CO[C@@H](C[N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000585105130 570934473 /nfs/dbraw/zinc/93/44/73/570934473.db2.gz YXOANTPAAHEZPW-IAGOWNOFSA-N 1 0 380.510 1.313 40 0 GDABRO O=C(NCCc1ccccn1)c1cn2c(nc1=O)[C@]1(CC2)CC[N@H+](CC2CC2)C1 ZINC000306130476 570939403 /nfs/dbraw/zinc/93/94/03/570939403.db2.gz JHPJVYZUUPAADP-QFIPXVFZSA-N 1 0 393.491 1.368 40 0 GDABRO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cccnc3)C[C@H]1C2 ZINC000306135028 570941323 /nfs/dbraw/zinc/94/13/23/570941323.db2.gz OFHLWHORZMAEDE-MOPGFXCFSA-N 1 0 388.475 1.907 40 0 GDABRO COc1ncccc1C[N@@H+]1CC[C@@]2(C1)CCn1ncnc1[C@H]2NC(=O)C1CC1 ZINC000306136044 570942769 /nfs/dbraw/zinc/94/27/69/570942769.db2.gz PHGVPQZLLLBVCW-UZLBHIALSA-N 1 0 382.468 1.545 40 0 GDABRO Cn1ccc(C(=O)N2CCC3(CC2)CN(C)Cc2nnc(-c4cccs4)n23)n1 ZINC000306139139 570943892 /nfs/dbraw/zinc/94/38/92/570943892.db2.gz SQHZSKAGYFNQAP-UHFFFAOYSA-N 1 0 397.508 1.817 40 0 GDABRO Cc1ccc(C[N@H+]2CC[C@@]3(C2)Cn2c(nn(CC(C)C)c(=O)c2=O)CO3)s1 ZINC000306144073 570946439 /nfs/dbraw/zinc/94/64/39/570946439.db2.gz YVLKWRPTLRNWDT-LJQANCHMSA-N 1 0 390.509 1.606 40 0 GDABRO Cc1ccc(O[C@H](C)C(=O)NCCn2nc([C@H]3CC[NH2+]C3)c3nccnc32)cc1 ZINC000019210948 570960352 /nfs/dbraw/zinc/96/03/52/570960352.db2.gz KECWDJWNAKONLK-CVEARBPZSA-N 1 0 394.479 1.795 40 0 GDABRO COc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2cnc(C)nc2)C3)c(OC)n1 ZINC000019287194 570970092 /nfs/dbraw/zinc/97/00/92/570970092.db2.gz HXLYMGTUMXPUGL-NYTJIUQPSA-N 1 0 385.468 1.712 40 0 GDABRO Cc1nnnn1CCC(=O)N(C)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019288395 570970422 /nfs/dbraw/zinc/97/04/22/570970422.db2.gz UDENXYPUDLRHQW-UHFFFAOYSA-N 1 0 384.484 1.694 40 0 GDABRO O=C(COc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CCO)cc1)N1CCCC1 ZINC000019333714 570975578 /nfs/dbraw/zinc/97/55/78/570975578.db2.gz SMUYPTDICKWKFN-PMACEKPBSA-N 1 0 387.524 1.719 40 0 GDABRO CCn1cc(S(=O)(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)c(C)n1 ZINC000019524655 570996421 /nfs/dbraw/zinc/99/64/21/570996421.db2.gz ZDLNLDAQYIUMGT-MRXNPFEDSA-N 1 0 390.513 1.563 40 0 GDABRO CCN1C[C@@H](C(=O)N2CC[C@@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)CC1=O ZINC000019526851 570997587 /nfs/dbraw/zinc/99/75/87/570997587.db2.gz 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CVOJLGYRACEUTO-LPHOPBHVSA-N 1 0 393.509 1.467 40 0 GDABRO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CC[N@H+](Cc2ccncc2)C1 ZINC000306127462 570937228 /nfs/dbraw/zinc/93/72/28/570937228.db2.gz FZCSPFJKVWWXGY-FQEVSTJZSA-N 1 0 395.488 1.457 40 0 GDABRO O=S1(=O)c2cccnc2O[C@@H]2C[N@H+](C3CCC3)C[C@H]2N1Cc1ccccn1 ZINC000306126856 570937493 /nfs/dbraw/zinc/93/74/93/570937493.db2.gz FHFIOEIDISVHMP-IAGOWNOFSA-N 1 0 386.477 1.665 40 0 GDABRO COc1ncccc1CN1C[C@@H]2CN(Cc3csc(C)n3)S(=O)(=O)[C@H]2C1 ZINC000306138631 570943646 /nfs/dbraw/zinc/94/36/46/570943646.db2.gz SCOSNSAZFZPBOP-ZBFHGGJFSA-N 1 0 394.522 1.501 40 0 GDABRO Cc1ccc(O[C@H](C)C(=O)N2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1 ZINC000019210773 570960408 /nfs/dbraw/zinc/96/04/08/570960408.db2.gz NYKBSPMOSUTIIA-HZPDHXFCSA-N 1 0 394.479 1.877 40 0 GDABRO Cc1ccc(O[C@H](C)C(=O)NCCn2nc([C@@H]3CC[NH2+]C3)c3nccnc32)cc1 ZINC000019210941 570960582 /nfs/dbraw/zinc/96/05/82/570960582.db2.gz KECWDJWNAKONLK-HZPDHXFCSA-N 1 0 394.479 1.795 40 0 GDABRO COc1ccccc1OCC(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21 ZINC000019571459 571010208 /nfs/dbraw/zinc/01/02/08/571010208.db2.gz OLUKISRQGWFECU-CQSZACIVSA-N 1 0 396.451 1.107 40 0 GDABRO Cc1[nH]nc2oc(=O)c(CC(=O)NC3CC[NH+](Cc4cccnc4)CC3)c(C)c12 ZINC000019577210 571012332 /nfs/dbraw/zinc/01/23/32/571012332.db2.gz PRPQSEOMIJTTCY-UHFFFAOYSA-N 1 0 395.463 1.851 40 0 GDABRO C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)c4ccc5c(c4)OCO5)C3)[nH]c(=O)c2C1 ZINC000019590270 571017195 /nfs/dbraw/zinc/01/71/95/571017195.db2.gz XDYQEBRWGYAEHU-CQSZACIVSA-N 1 0 396.447 1.919 40 0 GDABRO CC(=O)N1CCC[C@@H]1c1cc(N2CCN(C(=O)c3cnn(C)c3)CC2)cc(C)[nH+]1 ZINC000019697980 571030643 /nfs/dbraw/zinc/03/06/43/571030643.db2.gz KLAQSIBUPGYSEC-HXUWFJFHSA-N 1 0 396.495 1.769 40 0 GDABRO CCOC(=O)[C@]1(C[NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O ZINC000218191398 531027793 /nfs/dbraw/zinc/02/77/93/531027793.db2.gz LTFPHXCXOHEUNL-MBNYWOFBSA-N 1 0 376.272 1.468 40 0 GDABRO COc1ccccc1CNc1cc(-c2cccnc2)nc(NCC[NH+](C)C)n1 ZINC000328991037 212092490 /nfs/dbraw/zinc/09/24/90/212092490.db2.gz IRUOLEROBVLGRO-UHFFFAOYSA-N 1 0 378.480 1.977 40 0 GDABRO C[NH+](C)CCNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2ccccn2)n1 ZINC000328959846 212091066 /nfs/dbraw/zinc/09/10/66/212091066.db2.gz AVFLOBYLRXBJPO-UHFFFAOYSA-N 1 0 378.436 1.828 40 0 GDABRO CN(C)C(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CN(C)Cc2ccccc2)nn1 ZINC000008297553 221035502 /nfs/dbraw/zinc/03/55/02/221035502.db2.gz WLJAASZPFAHRAS-NRSPTQNISA-N 1 0 396.539 1.709 40 0 biogenic,in-vitro GDABRO C[NH+](C)CCN1CC[C@H]2CN(S(=O)(=O)c3ccccc3)CC[C@H]2CC1=O ZINC000015673014 221338648 /nfs/dbraw/zinc/33/86/48/221338648.db2.gz QMDMQMIVDCATQZ-IRXDYDNUSA-N 1 0 379.526 1.497 40 0 biogenic,in-vitro GDABRO CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)[C@@H](C)[NH+]4CCCCC4)C3)ncc2C1 ZINC000019077736 221395704 /nfs/dbraw/zinc/39/57/04/221395704.db2.gz XUKVXXXFOYUFQY-NVXWUHKLSA-N 1 0 385.512 1.572 40 0 GDABRO COc1ccc([C@@H]2CN(C(=O)C3CCC3)[C@H]3CC[N@H+](CCC(N)=O)C[C@@H]23)cc1 ZINC000072330766 222229413 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