smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(CN(Cc2ccc(C)cc2)C[C@@H]2CCC[NH2+]2)cc1 ZINC000079438578 185171545 /nfs/dbraw/zinc/17/15/45/185171545.db2.gz MXEFANNNRNAKGE-NRFANRHFSA-N 1 0 308.469 4.058 40 0 DIABRO Cc1ccc2oc(C3=CC[N@H+](Cc4ccccc4)CC3)nc2c1 ZINC000138162360 186014561 /nfs/dbraw/zinc/01/45/61/186014561.db2.gz NFJXNIDBWDWGPK-UHFFFAOYSA-N 1 0 304.393 4.426 40 0 DIABRO Cc1nccn1-c1cccc([C@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000072379142 191141450 /nfs/dbraw/zinc/14/14/50/191141450.db2.gz UCFWEJOCIUJCGZ-KRWDZBQOSA-N 1 0 324.472 4.088 40 0 DIABRO COc1ccc2c(c1)N(CCC[NH+](C)C)c1ccccc1S2 ZINC000000000488 180667706 /nfs/dbraw/zinc/66/77/06/180667706.db2.gz BRABPYPSZVCCLR-UHFFFAOYSA-N 1 0 314.454 4.250 40 0 in-man DIABRO c1ccc(COc2ccc(C[C@@H]3CC4CC[NH+]3CC4)cc2)cc1 ZINC000000977960 180838659 /nfs/dbraw/zinc/83/86/59/180838659.db2.gz SQMCJQNDEWEACK-HXUWFJFHSA-N 1 0 307.437 4.292 40 0 DIABRO CCCCC(CCCC)[NH2+]C[C@@H](C)OC(=O)c1ccc(N)cc1 ZINC000001995916 180905082 /nfs/dbraw/zinc/90/50/82/180905082.db2.gz OIJITVKQXJLVLE-OAHLLOKOSA-N 1 0 320.477 4.153 40 0 DIABRO CCC[N@@H+]1C[C@H](CSC)C[C@H]2c3cccc4[nH]cc(c43)C[C@@H]21 ZINC000003831296 181047835 /nfs/dbraw/zinc/04/78/35/181047835.db2.gz YEHCICAEULNIGD-SKDZVZGDSA-N 1 0 314.498 4.271 40 0 in-vitro DIABRO c1ccc2c(c1)CCc1ccccc1N2[C@@H]1C[NH+]2CCC1CC2 ZINC000004214242 181085322 /nfs/dbraw/zinc/08/53/22/181085322.db2.gz JCBQCKFFSPGEDY-OAQYLSRUSA-N 1 0 304.437 4.018 40 0 in-man DIABRO CCn1c2ccccc2c2c1[C@@](C)(CC[NH+](C)C)SCC2 ZINC000004626695 181130640 /nfs/dbraw/zinc/13/06/40/181130640.db2.gz BRPOADLGOFPKKJ-GOSISDBHSA-N 1 0 302.487 4.117 40 0 in-man DIABRO OCC[C@H]1CCCC[N@@H+]1[C@@H](Cc1ccccc1)c1ccccc1 ZINC000004777672 181151179 /nfs/dbraw/zinc/15/11/79/181151179.db2.gz INMDWRODOYMYGJ-RTWAWAEBSA-N 1 0 309.453 4.207 40 0 DIABRO C[NH+]1CCC(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000074921046 191388654 /nfs/dbraw/zinc/38/86/54/191388654.db2.gz FMAVCUBZEKJAGZ-UHFFFAOYSA-N 1 0 324.424 4.149 40 0 DIABRO CCCCC[C@H](C[NH+](C)C)[C@H](O)/C=C/c1ccccc1Cl ZINC000005022737 181191885 /nfs/dbraw/zinc/19/18/85/181191885.db2.gz JWECFDHHHFPOGP-FOTOHKNYSA-N 1 0 309.881 4.472 40 0 DIABRO CC1(C)[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000005492733 181249187 /nfs/dbraw/zinc/24/91/87/181249187.db2.gz MLTMAMPTDYDEJA-ILZDJORESA-N 1 0 311.469 4.076 40 0 DIABRO Clc1ccc2c(c1)[C@@H](c1ccccc1)[NH+]=C(N1CCCC1)N2 ZINC000005775047 181282926 /nfs/dbraw/zinc/28/29/26/181282926.db2.gz MPKXJIMWFXXKCH-QGZVFWFLSA-N 1 0 311.816 4.116 40 0 DIABRO COc1ccc([C@H]2C=C(c3ccc(F)cc3)NC(=[NH2+])S2)cc1 ZINC000005917621 181295820 /nfs/dbraw/zinc/29/58/20/181295820.db2.gz UBRNDOCAUUDKEB-MRXNPFEDSA-N 1 0 314.385 4.188 40 0 DIABRO CCCCCC[NH2+]Cc1cc(Br)ccc1OC ZINC000006427134 181340760 /nfs/dbraw/zinc/34/07/60/181340760.db2.gz FYDZEYRDEFZIFM-UHFFFAOYSA-N 1 0 300.240 4.128 40 0 DIABRO C[C@H]1C[NH+]=C(c2cccc(-c3ccc(-c4ccccc4)o3)c2)N1 ZINC000006495189 181345880 /nfs/dbraw/zinc/34/58/80/181345880.db2.gz WAEHMWVHYABFND-AWEZNQCLSA-N 1 0 302.377 4.352 40 0 DIABRO Cc1ccc([C@@](O)(C[NH2+]C2CCCCC2)c2ccccc2)cc1 ZINC000006522711 181348755 /nfs/dbraw/zinc/34/87/55/181348755.db2.gz JKLAJIMTXFALCO-OAQYLSRUSA-N 1 0 309.453 4.153 40 0 DIABRO COc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)c(OC)c1OC ZINC000006857381 181398766 /nfs/dbraw/zinc/39/87/66/181398766.db2.gz WGRGBSZIUOJRLH-UHFFFAOYSA-N 1 0 309.450 4.017 40 0 DIABRO Cc1csc(-c2cc([C@@H]3CCCC[N@H+]3C(C)C)nc(C)n2)n1 ZINC000257282314 203009521 /nfs/dbraw/zinc/00/95/21/203009521.db2.gz OTGKYQIAXSEPKD-INIZCTEOSA-N 1 0 316.474 4.152 40 0 DIABRO CCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000007262325 181449709 /nfs/dbraw/zinc/44/97/09/181449709.db2.gz XCWGDINHAAVCHK-UHFFFAOYSA-N 1 0 319.832 4.427 40 0 DIABRO Clc1ccc(C[n+]2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000095117833 193424699 /nfs/dbraw/zinc/42/46/99/193424699.db2.gz LUAWPJLWVIUBNL-UHFFFAOYSA-N 1 0 321.787 4.484 40 0 DIABRO CC(C)(C)CC(C)(C)c1ccc(OCCSC(N)=[NH2+])cc1 ZINC000016889914 182062360 /nfs/dbraw/zinc/06/23/60/182062360.db2.gz KNDOAEXOTXSQAK-UHFFFAOYSA-N 1 0 308.491 4.406 40 0 DIABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccccc3F)C2)c2ccccn12 ZINC000019240680 182111520 /nfs/dbraw/zinc/11/15/20/182111520.db2.gz IUDHUCXNBOUHGX-KRWDZBQOSA-N 1 0 323.415 4.161 40 0 DIABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c2ccccn12 ZINC000019240679 182111918 /nfs/dbraw/zinc/11/19/18/182111918.db2.gz IUDHUCXNBOUHGX-QGZVFWFLSA-N 1 0 323.415 4.161 40 0 DIABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccccc2Cl)on1 ZINC000019120588 182105198 /nfs/dbraw/zinc/10/51/98/182105198.db2.gz KJLFOCHORNBISX-SUMWQHHRSA-N 1 0 304.821 4.137 40 0 DIABRO Fc1cccc(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1 ZINC000019293836 182113592 /nfs/dbraw/zinc/11/35/92/182113592.db2.gz LMFJXEGIOGUMAO-INIZCTEOSA-N 1 0 309.388 4.082 40 0 DIABRO Cc1ccc(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)s1 ZINC000019217211 182107926 /nfs/dbraw/zinc/10/79/26/182107926.db2.gz RKJZGRYLOZVOEU-HNNXBMFYSA-N 1 0 311.454 4.312 40 0 DIABRO Cc1ccccc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000019933915 182167313 /nfs/dbraw/zinc/16/73/13/182167313.db2.gz CRBQQJVBVJVQPC-UHFFFAOYSA-N 1 0 322.452 4.479 40 0 DIABRO CC[NH+](CC)Cc1ccc(NC(=O)Cc2ccc(C)cc2)cc1 ZINC000020040066 182183010 /nfs/dbraw/zinc/18/30/10/182183010.db2.gz XNDZQHCDICHCMH-UHFFFAOYSA-N 1 0 310.441 4.018 40 0 DIABRO Cc1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000020045111 182183072 /nfs/dbraw/zinc/18/30/72/182183072.db2.gz OHEWXTSTIYHJFW-INIZCTEOSA-N 1 0 322.452 4.479 40 0 DIABRO C[NH2+]Cc1ccc(-c2ccc(Cl)cc2Br)o1 ZINC000020158478 182193985 /nfs/dbraw/zinc/19/39/85/182193985.db2.gz RMERUOLOJOURHH-UHFFFAOYSA-N 1 0 300.583 4.082 40 0 DIABRO CC[NH+](CC)CCNCc1ccc(-c2cccc(Cl)c2C)o1 ZINC000022076872 182308129 /nfs/dbraw/zinc/30/81/29/182308129.db2.gz WGELCJFKLSEXLK-UHFFFAOYSA-N 1 0 320.864 4.340 40 0 DIABRO C[N@@H+]1[C@@H](c2ccccc2)[C@H]2CCC[C@H]([C@H]2O)[C@@H]1c1ccccc1 ZINC000100745668 193803923 /nfs/dbraw/zinc/80/39/23/193803923.db2.gz VOVYUVZGDORCCG-HGJUEJDCSA-N 1 0 307.437 4.192 40 0 DIABRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1C ZINC000038833577 183010900 /nfs/dbraw/zinc/01/09/00/183010900.db2.gz GMWZMDJDKHMIGC-LJQANCHMSA-N 1 0 322.452 4.154 40 0 DIABRO CCc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000038835250 183011092 /nfs/dbraw/zinc/01/10/92/183011092.db2.gz XYTGMXVEBILDJI-LJQANCHMSA-N 1 0 322.452 4.100 40 0 DIABRO CC(C)c1ncc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)cn1 ZINC000057823104 184055663 /nfs/dbraw/zinc/05/56/63/184055663.db2.gz MHHJGIDWKVRBCF-UHFFFAOYSA-N 1 0 315.848 4.422 40 0 DIABRO Cc1cc(OCc2ccccc2)ncc1[C@H]([NH3+])c1ccccc1 ZINC000072223432 257123185 /nfs/dbraw/zinc/12/31/85/257123185.db2.gz ZTQAODVPWMLSGE-HXUWFJFHSA-N 1 0 304.393 4.017 40 0 DIABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCC2)nc1C ZINC000072218945 257123940 /nfs/dbraw/zinc/12/39/40/257123940.db2.gz WLCPRJDGRUXGOM-SFHVURJKSA-N 1 0 301.478 4.317 40 0 DIABRO Cc1cc([C@H]2CCCC[N@H+]2CC(C)C)cnc1N1CCCC1 ZINC000072218823 257124009 /nfs/dbraw/zinc/12/40/09/257124009.db2.gz DPAKOYXLGLBLHL-GOSISDBHSA-N 1 0 301.478 4.173 40 0 DIABRO COc1ccc(OC)c([C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000072221892 257124408 /nfs/dbraw/zinc/12/44/08/257124408.db2.gz YSFKJVLQBPSICK-LJQANCHMSA-N 1 0 311.425 4.431 40 0 DIABRO Cc1nc(N2CCCC2)ccc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072218943 257124428 /nfs/dbraw/zinc/12/44/28/257124428.db2.gz YTPFBLLRLMEPNK-GOSISDBHSA-N 1 0 301.478 4.173 40 0 DIABRO COc1ccc(OC)c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000072221891 257124595 /nfs/dbraw/zinc/12/45/95/257124595.db2.gz YSFKJVLQBPSICK-IBGZPJMESA-N 1 0 311.425 4.431 40 0 DIABRO Cc1cc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cnc1N(C)C ZINC000072218646 257125255 /nfs/dbraw/zinc/12/52/55/257125255.db2.gz TUWXORDSYQVNFW-IBGZPJMESA-N 1 0 309.457 4.183 40 0 DIABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216708 257125314 /nfs/dbraw/zinc/12/53/14/257125314.db2.gz XDWSHOUFWJHGDI-SFHVURJKSA-N 1 0 301.478 4.399 40 0 DIABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2ccc(NC3CC3)nc2)cc1 ZINC000072213805 257125827 /nfs/dbraw/zinc/12/58/27/257125827.db2.gz FNFGSZGHMKSCRZ-IBGZPJMESA-N 1 0 307.441 4.383 40 0 DIABRO CC(C)CNc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072213303 257126008 /nfs/dbraw/zinc/12/60/08/257126008.db2.gz NDTLPLUHICQJIR-IBGZPJMESA-N 1 0 309.457 4.487 40 0 DIABRO CC(C)CNc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072213304 257126637 /nfs/dbraw/zinc/12/66/37/257126637.db2.gz NDTLPLUHICQJIR-LJQANCHMSA-N 1 0 309.457 4.487 40 0 DIABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[NH2+]1 ZINC000072215020 257126676 /nfs/dbraw/zinc/12/66/76/257126676.db2.gz HSZSPMAGUIHXRY-HNNXBMFYSA-N 1 0 319.449 4.048 40 0 DIABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212083 257126843 /nfs/dbraw/zinc/12/68/43/257126843.db2.gz TYVXZFGEZRCVSG-IBGZPJMESA-N 1 0 310.441 4.454 40 0 DIABRO CC[NH+](CC)Cc1c(C)nc2ccc(N(C)C)cc2c1Cl ZINC000001768034 331467678 /nfs/dbraw/zinc/46/76/78/331467678.db2.gz LVHIXIPKVJNCBF-UHFFFAOYSA-N 1 0 305.853 4.104 40 0 DIABRO Clc1ccc2c(c1)C(=C1CC[NH2+]CC1)c1ncccc1CC2 ZINC000038420468 331675712 /nfs/dbraw/zinc/67/57/12/331675712.db2.gz XGJJLWDKUCVCNM-UHFFFAOYSA-N 1 0 310.828 4.019 40 0 in-vitro DIABRO CCC[C@H]1[C@H](O)[C@@H](C)[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000247940466 341371307 /nfs/dbraw/zinc/37/13/07/341371307.db2.gz GCUZTKRRUTYKPX-KDJJVYBXSA-N 1 0 309.453 4.486 40 0 DIABRO Fc1ccccc1C[N@@H+]1CC[C@H](c2nc3ccccc3s2)C1 ZINC000049168930 560084922 /nfs/dbraw/zinc/08/49/22/560084922.db2.gz LRFXPJPPOXIFPU-AWEZNQCLSA-N 1 0 312.413 4.425 40 0 biogenic,in-vitro DIABRO O[C@H]1CCCc2[nH+]c3ccccc3c(NCc3ccccc3)c21 ZINC000000004267 563211077 /nfs/dbraw/zinc/21/10/77/563211077.db2.gz HERUZAOANPGYSY-SFHVURJKSA-N 1 0 304.393 4.217 40 0 in-man DIABRO CCc1cc(CC)c(C(=O)OCC[NH+]2CCCCC2)c(CC)c1 ZINC000001646544 563289094 /nfs/dbraw/zinc/28/90/94/563289094.db2.gz RHYQHMFEJXACMQ-UHFFFAOYSA-N 1 0 317.473 4.017 40 0 DIABRO C[C@@H](C[NH+](C)C)[C@](O)(c1ccc(Cl)cc1)C1CCCCC1 ZINC000001698635 563291970 /nfs/dbraw/zinc/29/19/70/563291970.db2.gz GYKTWUOGJHJSJV-KBXCAEBGSA-N 1 0 309.881 4.306 40 0 DIABRO CC[NH+](CC)CCOC(=O)[C@@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000001710811 563292404 /nfs/dbraw/zinc/29/24/04/563292404.db2.gz SGFGQSKEXCCYTI-OALUTQOASA-N 1 0 315.457 4.012 40 0 DIABRO C[NH+](C)C(C)(C)CCCNc1ccnc2cc(Cl)ccc21 ZINC000001710682 563292430 /nfs/dbraw/zinc/29/24/30/563292430.db2.gz TXVMRZAZIHDTHA-UHFFFAOYSA-N 1 0 305.853 4.421 40 0 DIABRO O=C(/C=C/c1ccccc1)OCc1ccccc1C[N@H+]1C=CCC1 ZINC000001716168 563293270 /nfs/dbraw/zinc/29/32/70/563293270.db2.gz PVNMMULREXJMLK-OUKQBFOZSA-N 1 0 319.404 4.163 40 0 DIABRO CC(C)[N@H+](C)CCOC(=O)[C@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000001843241 563296313 /nfs/dbraw/zinc/29/63/13/563296313.db2.gz KAYIKQQQTHUULM-RBUKOAKNSA-N 1 0 315.457 4.010 40 0 DIABRO CC[NH+](CC)CC(C)(C)[C@@H](O)c1ccc(OC)c2ccccc21 ZINC000002041971 563298093 /nfs/dbraw/zinc/29/80/93/563298093.db2.gz CFLLSOPLOOHFGY-IBGZPJMESA-N 1 0 315.457 4.250 40 0 DIABRO CC[C@H](OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C)c1ccccc1 ZINC000002694600 563311897 /nfs/dbraw/zinc/31/18/97/563311897.db2.gz PPTAYKHJILTVIZ-ROUUACIJSA-N 1 0 321.505 4.320 40 0 DIABRO CC[C@@H](C)[NH2+]Cc1cccc(OC)c1OCc1ccccc1F ZINC000008326034 563346022 /nfs/dbraw/zinc/34/60/22/563346022.db2.gz OMDSZNXVWYXLRO-CQSZACIVSA-N 1 0 317.404 4.301 40 0 DIABRO C[NH+](C)CCO[C@](C)(c1ccccc1)c1ccc2ccccc2n1 ZINC000008581617 563348055 /nfs/dbraw/zinc/34/80/55/563348055.db2.gz YDJVFOAHQRFWRZ-OAQYLSRUSA-N 1 0 320.436 4.077 40 0 DIABRO c1cnc2cc(C3CC[NH+](C[C@@H]4CC=CCC4)CC3)ncc2c1 ZINC000012224074 563364418 /nfs/dbraw/zinc/36/44/18/563364418.db2.gz AXJGPOJUCDZVER-MRXNPFEDSA-N 1 0 307.441 4.166 40 0 DIABRO C[C@@H]1C[NH+](C[C@@H]2CCCCCCCCCCC2=O)C[C@@H](C)O1 ZINC000031723550 563440497 /nfs/dbraw/zinc/44/04/97/563440497.db2.gz KSYWAODCCAPCLX-KURKYZTESA-N 1 0 309.494 4.196 40 0 DIABRO CC[C@H](C)c1ccccc1OC[C@H](O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000226724049 563480113 /nfs/dbraw/zinc/48/01/13/563480113.db2.gz ZOHVSEXZWRMRLF-XLAORIBOSA-N 1 0 319.489 4.203 40 0 DIABRO CC[NH+](CC)CC/C=C/C(O)(c1ccccc1)c1ccccc1 ZINC000078578086 563514003 /nfs/dbraw/zinc/51/40/03/563514003.db2.gz MQYZDLDTVOUVQP-GZTJUZNOSA-N 1 0 309.453 4.211 40 0 DIABRO CC[C@@H](C)[N@@H+]1CCC[C@@]2(CCC(=O)N2CC2CCCCC2)CC1 ZINC000585100303 563516879 /nfs/dbraw/zinc/51/68/79/563516879.db2.gz JVUXNZYQENGYRY-YLJYHZDGSA-N 1 0 320.521 4.212 40 0 DIABRO Cc1ccc(Oc2ccc(F)cc2OCC[NH+]2CCCC2)cc1 ZINC000585265603 563537187 /nfs/dbraw/zinc/53/71/87/563537187.db2.gz UTEAAFVAMAWPGJ-UHFFFAOYSA-N 1 0 315.388 4.401 40 0 DIABRO CC(C)C[C@H]([NH3+])COc1ccc(F)cc1Oc1ccccc1 ZINC000585263902 563537216 /nfs/dbraw/zinc/53/72/16/563537216.db2.gz DGNCVEFTRQFWDS-HNNXBMFYSA-N 1 0 303.377 4.370 40 0 DIABRO Cc1cnc(Nc2cccc(C3CC[NH+](C(C)C)CC3)n2)s1 ZINC000585262621 563537320 /nfs/dbraw/zinc/53/73/20/563537320.db2.gz JMCHHLJEZOLSGB-UHFFFAOYSA-N 1 0 316.474 4.178 40 0 DIABRO Fc1ccccc1C[n+]1ccc(-c2nc3ccccc3s2)cc1 ZINC000226307572 563605381 /nfs/dbraw/zinc/60/53/81/563605381.db2.gz UDYAMJRKPQHKRM-UHFFFAOYSA-N 1 0 321.400 4.438 40 0 DIABRO Fc1cccc(C[n+]2ccc(-c3nc4ccccc4s3)cc2)c1 ZINC000226307562 563605531 /nfs/dbraw/zinc/60/55/31/563605531.db2.gz RTVFJEJUEABWJX-UHFFFAOYSA-N 1 0 321.400 4.438 40 0 DIABRO COc1ccc(Cl)cc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000007524071 563640596 /nfs/dbraw/zinc/64/05/96/563640596.db2.gz WGECFLJDXKLANV-UHFFFAOYSA-N 1 0 305.849 4.407 40 0 DIABRO COc1cc(C[NH2+]C2CC2)ccc1OCc1cccc(Cl)c1 ZINC000008471872 563642098 /nfs/dbraw/zinc/64/20/98/563642098.db2.gz WUJUZWRDXVBPQT-UHFFFAOYSA-N 1 0 317.816 4.180 40 0 DIABRO CCOc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000008324675 563642264 /nfs/dbraw/zinc/64/22/64/563642264.db2.gz MRFNPVAUYAYRRA-UHFFFAOYSA-N 1 0 315.457 4.152 40 0 DIABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C)c3)CC2)cc1 ZINC000009063090 563644914 /nfs/dbraw/zinc/64/49/14/563644914.db2.gz FJZBRSAIDGCJLR-UHFFFAOYSA-N 1 0 322.452 4.154 40 0 DIABRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118918555 563676090 /nfs/dbraw/zinc/67/60/90/563676090.db2.gz ZSTQCIVAAMTXKR-LWYCANNGSA-N 1 0 319.533 4.320 40 0 DIABRO c1ccc(-c2nnc([C@H]3CC[N@@H+](CC4CCCCC4)C3)o2)cc1 ZINC000049169304 563700999 /nfs/dbraw/zinc/70/09/99/563700999.db2.gz CNKAFHICRPYXHR-KRWDZBQOSA-N 1 0 311.429 4.106 40 0 biogenic,in-vitro DIABRO NC1=[NH+]N(c2ccc(Cl)cc2Cl)[C@H](c2ccccc2)C1 ZINC000222546740 563725741 /nfs/dbraw/zinc/72/57/41/563725741.db2.gz YCCQIUYSFILRTF-AWEZNQCLSA-N 1 0 306.196 4.217 40 0 DIABRO NC1=[NH+]N(c2ccc(Cl)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000222546673 563725827 /nfs/dbraw/zinc/72/58/27/563725827.db2.gz YCCQIUYSFILRTF-CQSZACIVSA-N 1 0 306.196 4.217 40 0 DIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(C)cc1Cl ZINC000225001799 563746210 /nfs/dbraw/zinc/74/62/10/563746210.db2.gz JPUNCLGNENVRLV-HNNXBMFYSA-N 1 0 322.880 4.033 40 0 DIABRO Fc1ccccc1CN1CCCC[C@@H]1c1ncn2ccsc12 ZINC000257229222 563790441 /nfs/dbraw/zinc/79/04/41/563790441.db2.gz FXGIDOOJXUTDHF-OAHLLOKOSA-N 1 0 315.417 4.262 40 0 DIABRO Cc1cnc(-c2cc([C@@H]3CCCC[N@H+]3C(C)C)nc(C)n2)s1 ZINC000257324831 563792660 /nfs/dbraw/zinc/79/26/60/563792660.db2.gz WQJRXMMTIRLSQQ-INIZCTEOSA-N 1 0 316.474 4.152 40 0 DIABRO CC[C@H](C)Nc1cc(N2CCc3ccccc3C2)nc(C(C)C)[nH+]1 ZINC000328967228 563832599 /nfs/dbraw/zinc/83/25/99/563832599.db2.gz CRKHIRVOFVRMBR-HNNXBMFYSA-N 1 0 324.472 4.373 40 0 DIABRO CCC[N@@H+]1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c43)C[C@@H]21 ZINC000027549753 563857077 /nfs/dbraw/zinc/85/70/77/563857077.db2.gz YEHCICAEULNIGD-QBIMZIAESA-N 1 0 314.498 4.271 40 0 in-vitro DIABRO CC[NH+](CC)CCC[C@H](C)Nc1nncc2cc(Cl)ccc21 ZINC000001687507 563924895 /nfs/dbraw/zinc/92/48/95/563924895.db2.gz KGBVJBKYFNURLO-ZDUSSCGKSA-N 1 0 320.868 4.206 40 0 DIABRO c1nc(Nc2cc([C@@H]3CCC[NH2+]3)ccn2)sc1-c1ccccc1 ZINC000143327242 563956994 /nfs/dbraw/zinc/95/69/94/563956994.db2.gz MCWXTOTZXJVXAQ-HNNXBMFYSA-N 1 0 322.437 4.373 40 0 DIABRO CSc1ccc(C[N@@H+](Cc2sccc2C)C[C@@H](C)O)cc1 ZINC000013991533 1041502407 /nfs/dbraw/zinc/50/24/07/1041502407.db2.gz SBHVDRLJWPVXSY-CQSZACIVSA-N 1 0 321.511 4.161 40 0 DIABRO CC[NH+](CC)Cc1ccc(NC(=O)Cc2cc(C)ccc2C)cc1 ZINC000216457674 1044345262 /nfs/dbraw/zinc/34/52/62/1044345262.db2.gz HBCBLBNAKVGLGC-UHFFFAOYSA-N 1 0 324.468 4.326 40 0 DIABRO Fc1cc(C[NH2+]Cc2ccccc2)c(F)cc1Br ZINC000199827149 1051948950 /nfs/dbraw/zinc/94/89/50/1051948950.db2.gz CKWGURFSYYUZLG-UHFFFAOYSA-N 1 0 312.157 4.017 40 0 DIABRO CC(C)C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2 ZINC000000543456 1055536607 /nfs/dbraw/zinc/53/66/07/1055536607.db2.gz ZRJNUVJMYCRKOF-UHFFFAOYSA-N 1 0 310.248 4.352 40 0 DIABRO Cc1ccccc1CN(Cc1ccccc1C)C[C@H]1CCCC[NH2+]1 ZINC000072203914 191075597 /nfs/dbraw/zinc/07/55/97/191075597.db2.gz UQNFHPFTLKATHV-JOCHJYFZSA-N 1 0 322.496 4.448 40 0 DIABRO Cc1cc2c(nc(-c3cccnc3)nc2Nc2cc[nH+]cc2)s1 ZINC000072260891 191088419 /nfs/dbraw/zinc/08/84/19/191088419.db2.gz ZFBWORKKOUZXLH-UHFFFAOYSA-N 1 0 319.393 4.200 40 0 DIABRO C[NH+]1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000072348585 191127262 /nfs/dbraw/zinc/12/72/62/191127262.db2.gz VGWWENLMHDKCIW-UHFFFAOYSA-N 1 0 300.833 4.135 40 0 DIABRO C[N@H+](Cc1c2cccnc2[nH]c1C(C)(C)C)Cc1ccccc1 ZINC000072393632 191150203 /nfs/dbraw/zinc/15/02/03/191150203.db2.gz SKTRQNRGDORSHB-UHFFFAOYSA-N 1 0 307.441 4.492 40 0 DIABRO FC(F)(F)c1cnc(C[n+]2ccc3ccccc3c2)c(Cl)c1 ZINC000000160165 180711672 /nfs/dbraw/zinc/71/16/72/180711672.db2.gz LPMMWNSFMJUUBV-UHFFFAOYSA-N 1 0 323.725 4.243 40 0 DIABRO CCC(=O)C(c1ccccc1)(c1ccccc1)[C@@H](C)C[NH+](C)C ZINC000001577161 180874739 /nfs/dbraw/zinc/87/47/39/180874739.db2.gz IFKPLJWIEQBPGG-KRWDZBQOSA-N 1 0 309.453 4.150 40 0 in-man DIABRO CC[NH+](CC)CCC[C@@H](C)Nc1ncnc2cc(Cl)ccc21 ZINC000002042640 180907609 /nfs/dbraw/zinc/90/76/09/180907609.db2.gz UMLPLQQZFGHPNF-CYBMUJFWSA-N 1 0 320.868 4.206 40 0 DIABRO C[C@@H]1CCCCN1[P@H+](c1ccccc1)N1CCCC[C@@H]1C ZINC000005328660 181230289 /nfs/dbraw/zinc/23/02/89/181230289.db2.gz IXYQVEWDGLGTQK-QRTHJKPMSA-N 1 0 304.418 4.373 40 0 DIABRO CC[C@H](C)[NH2+]CCCCCNc1cc(OC)cc2cccnc21 ZINC000005422766 181242222 /nfs/dbraw/zinc/24/22/22/181242222.db2.gz QOKIJSHQBQJAKF-HNNXBMFYSA-N 1 0 315.461 4.214 40 0 DIABRO CC(=O)Nc1ccc2c(c1)[C@H]([NH+]1CCCCC1)c1ccccc1-2 ZINC000005542254 181255275 /nfs/dbraw/zinc/25/52/75/181255275.db2.gz NJLDMBUQUAPTOL-HXUWFJFHSA-N 1 0 306.409 4.201 40 0 DIABRO CC(=O)[C@H](CC[NH+](C)C)c1ccc2c(c1)CCc1ccccc1-2 ZINC000005883706 181293072 /nfs/dbraw/zinc/29/30/72/181293072.db2.gz FLJOWAJUTGCGMY-IBGZPJMESA-N 1 0 307.437 4.077 40 0 DIABRO CC[C@@H](C)c1ccccc1OC[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000006355907 181333958 /nfs/dbraw/zinc/33/39/58/181333958.db2.gz ZOHVSEXZWRMRLF-ZJPYXAASSA-N 1 0 319.489 4.203 40 0 DIABRO O[C@](CC[NH+]1CCCCCC1)(Cc1ccccc1)c1ccccc1 ZINC000006580880 181357194 /nfs/dbraw/zinc/35/71/94/181357194.db2.gz WQEUYXOZRDYRAH-JOCHJYFZSA-N 1 0 323.480 4.383 40 0 DIABRO Cc1ccc2[nH]cc(CC[NH2+]Cc3cccc4[nH]ccc43)c2c1 ZINC000015423525 182001294 /nfs/dbraw/zinc/00/12/94/182001294.db2.gz UNPPMLAZEANVMY-UHFFFAOYSA-N 1 0 303.409 4.290 40 0 DIABRO COc1ccc([C@@H]2[C@@H]3CCC[C@@H]3[C@H]2[NH2+]Cc2ccncc2C)cc1 ZINC000019239538 182111131 /nfs/dbraw/zinc/11/11/31/182111131.db2.gz UROATCKCVJSPEU-PLACYPQZSA-N 1 0 322.452 4.071 40 0 DIABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c2ccccn12 ZINC000019240669 182111627 /nfs/dbraw/zinc/11/16/27/182111627.db2.gz UYHZAKAZKBCEGR-QGZVFWFLSA-N 1 0 323.415 4.161 40 0 DIABRO CCN(CC[NH+](CC)CC)C(=O)Nc1cccc2ccccc21 ZINC000019074495 182103962 /nfs/dbraw/zinc/10/39/62/182103962.db2.gz KXODCWBYZZJHIK-UHFFFAOYSA-N 1 0 313.445 4.035 40 0 DIABRO CC(C)(C)c1n[nH]cc1C[NH2+][C@@H]1[C@H]2CCC[C@H]2[C@H]1c1ccccc1 ZINC000019083514 182104338 /nfs/dbraw/zinc/10/43/38/182104338.db2.gz DWSNZJJRBMJQGC-FCGDIQPGSA-N 1 0 323.484 4.379 40 0 DIABRO c1ccc(CN[C@H](C[NH2+]Cc2ccccc2)c2ccccc2)cc1 ZINC000019366597 182118489 /nfs/dbraw/zinc/11/84/89/182118489.db2.gz PMEZXKXUCLALIY-JOCHJYFZSA-N 1 0 316.448 4.307 40 0 DIABRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c2cccnc2[nH]c1[C@H]1CCCO1 ZINC000019496688 182125436 /nfs/dbraw/zinc/12/54/36/182125436.db2.gz RYNAYTUYWPFNAP-JJRVBVJISA-N 1 0 313.445 4.035 40 0 DIABRO CCCc1ncc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3[C@H]2c2ccccc2)cn1 ZINC000019525783 182128482 /nfs/dbraw/zinc/12/84/82/182128482.db2.gz PAPSKKLIZVECSO-UYWIDEMCSA-N 1 0 321.468 4.101 40 0 DIABRO COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2ccncc2)cc1 ZINC000019557616 182130307 /nfs/dbraw/zinc/13/03/07/182130307.db2.gz YGWJEVISINCSQM-CGXNFDGLSA-N 1 0 322.452 4.152 40 0 DIABRO C[N@H+](Cc1ccccc1Cl)[C@@H]1COC[C@H]1c1ccc(F)cc1 ZINC000019586535 182131839 /nfs/dbraw/zinc/13/18/39/182131839.db2.gz PKIVCDWEAXCPRL-FUHWJXTLSA-N 1 0 319.807 4.094 40 0 DIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N(C)c3ccccc3)cc2)C1 ZINC000020105320 182186976 /nfs/dbraw/zinc/18/69/76/182186976.db2.gz JFWMKZIXNBXTTO-QGZVFWFLSA-N 1 0 322.452 4.195 40 0 DIABRO CN1CCC[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000022036254 182305534 /nfs/dbraw/zinc/30/55/34/182305534.db2.gz ATBWRPNTOXXOBL-OALUTQOASA-N 1 0 314.860 4.113 40 0 DIABRO O=C(c1ccccc1)[C@H]([NH2+]CCc1ccccc1)c1ccccc1 ZINC000031702873 182620711 /nfs/dbraw/zinc/62/07/11/182620711.db2.gz GNJJDOMUTKENFI-OAQYLSRUSA-N 1 0 315.416 4.443 40 0 DIABRO Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000035311353 182769854 /nfs/dbraw/zinc/76/98/54/182769854.db2.gz SAXXPIJGCKCFGH-UHFFFAOYSA-N 1 0 311.400 4.229 40 0 DIABRO Cc1ccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000039748019 183021697 /nfs/dbraw/zinc/02/16/97/183021697.db2.gz XCEDNBBGGXNQMF-UHFFFAOYSA-N 1 0 322.452 4.154 40 0 DIABRO Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1NCc1ccccc1 ZINC000072222340 257123525 /nfs/dbraw/zinc/12/35/25/257123525.db2.gz OXQAZRIHOANUQV-IBGZPJMESA-N 1 0 303.409 4.050 40 0 DIABRO Cc1cc(N2CCc3ccccc32)ncc1[C@@H]([NH3+])c1ccccc1 ZINC000072223954 257123680 /nfs/dbraw/zinc/12/36/80/257123680.db2.gz QXZFLKSLQXVKOY-NRFANRHFSA-N 1 0 315.420 4.132 40 0 DIABRO Cc1cc(N2CCCC2)ncc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072218850 257124175 /nfs/dbraw/zinc/12/41/75/257124175.db2.gz RIWYUERLBIOFKN-HXUWFJFHSA-N 1 0 321.468 4.327 40 0 DIABRO Cc1nc(N2CCCCC2)ccc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072219284 257124292 /nfs/dbraw/zinc/12/42/92/257124292.db2.gz FSIJZPGHWNTXAP-GOSISDBHSA-N 1 0 301.478 4.173 40 0 DIABRO Cc1nc(N(C)C)ccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072218767 257124328 /nfs/dbraw/zinc/12/43/28/257124328.db2.gz JAZIMHBHWOMFCS-LJQANCHMSA-N 1 0 309.457 4.183 40 0 DIABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216645 257125279 /nfs/dbraw/zinc/12/52/79/257125279.db2.gz LNQWCARFVNGIPJ-GOSISDBHSA-N 1 0 301.478 4.255 40 0 DIABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(N3CCCCC3)nc2)cc1 ZINC000072216031 257125563 /nfs/dbraw/zinc/12/55/63/257125563.db2.gz XRFFUUNCGQGQEM-HXUWFJFHSA-N 1 0 321.468 4.409 40 0 DIABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214381 257125836 /nfs/dbraw/zinc/12/58/36/257125836.db2.gz FGCXXWVYFFWQKM-OAHLLOKOSA-N 1 0 319.449 4.222 40 0 DIABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[NH2+]2)cn1 ZINC000072215083 257126506 /nfs/dbraw/zinc/12/65/06/257126506.db2.gz LZCRGBAWRYWLEX-UKRRQHHQSA-N 1 0 319.449 4.046 40 0 DIABRO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[NH2+]1 ZINC000072214750 257126708 /nfs/dbraw/zinc/12/67/08/257126708.db2.gz YHEHKEDGQCHJQT-HNNXBMFYSA-N 1 0 319.449 4.048 40 0 DIABRO CCN(CC)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072212825 257127617 /nfs/dbraw/zinc/12/76/17/257127617.db2.gz BESZXTKJHZCWMJ-IBGZPJMESA-N 1 0 309.457 4.265 40 0 DIABRO C[C@@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2[C@H]2CCCO2)[C@H]1C ZINC000247883608 341370921 /nfs/dbraw/zinc/37/09/21/341370921.db2.gz RYNAYTUYWPFNAP-JKIFEVAISA-N 1 0 313.445 4.035 40 0 DIABRO c1nc([C@H]2CCC[N@H+]2C2CCC2)c2ccc(-c3cccnc3)cn12 ZINC000306124632 534534660 /nfs/dbraw/zinc/53/46/60/534534660.db2.gz BVKQAXXOAIZESC-LJQANCHMSA-N 1 0 318.424 4.086 40 0 DIABRO COc1cccc(C[N@@H+]2CC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000049168943 560084910 /nfs/dbraw/zinc/08/49/10/560084910.db2.gz JSSJNSQEFWGMKR-HNNXBMFYSA-N 1 0 324.449 4.294 40 0 biogenic,in-vitro DIABRO CCC[N@H+](CCNc1cc(OC)cc2cccnc21)CC(C)C ZINC000001656152 563289252 /nfs/dbraw/zinc/28/92/52/563289252.db2.gz ABZVEPNRBLRVIF-UHFFFAOYSA-N 1 0 315.461 4.023 40 0 DIABRO C[NH2+][C@@H](C)[C@H](Nc1cc(OC)cc2cccnc21)c1ccccc1 ZINC000001656109 563289434 /nfs/dbraw/zinc/28/94/34/563289434.db2.gz LNRSSOUKXAJCEX-LIRRHRJNSA-N 1 0 321.424 4.005 40 0 DIABRO CCCCC(CCCC)[NH2+]C[C@H](C)OC(=O)c1ccc(N)cc1 ZINC000001715252 563293137 /nfs/dbraw/zinc/29/31/37/563293137.db2.gz OIJITVKQXJLVLE-HNNXBMFYSA-N 1 0 320.477 4.153 40 0 DIABRO CC(=O)OC1C[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000001719799 563293244 /nfs/dbraw/zinc/29/32/44/563293244.db2.gz OBNUWEBINMHPGX-IHWFROFDSA-N 1 0 309.409 4.126 40 0 DIABRO C[NH+](C)CCOC(=O)C1(CCC2CCCCC2)CCCCC1 ZINC000001719238 563293356 /nfs/dbraw/zinc/29/33/56/563293356.db2.gz AQENSYDDMUDGBI-UHFFFAOYSA-N 1 0 309.494 4.402 40 0 DIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000007016201 563336035 /nfs/dbraw/zinc/33/60/35/563336035.db2.gz GTHTWTQDRSQZOE-INIZCTEOSA-N 1 0 308.425 4.171 40 0 DIABRO CC(C)[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000031628051 563337217 /nfs/dbraw/zinc/33/72/17/563337217.db2.gz NZGPVVILHDQKBZ-SFHVURJKSA-N 1 0 303.833 4.284 40 0 DIABRO Cc1cc(C)c(C(=O)O[C@H](C)C[NH2+]C2CCCCC2)c(C)c1 ZINC000008637341 563348798 /nfs/dbraw/zinc/34/87/98/563348798.db2.gz ZKUHFYWXFBFEMF-MRXNPFEDSA-N 1 0 303.446 4.079 40 0 DIABRO C[N@H+](Cc1c2cccnc2[nH]c1-c1ccco1)Cc1ccccc1 ZINC000012222446 563364648 /nfs/dbraw/zinc/36/46/48/563364648.db2.gz FFJZKTSKAWGPLU-UHFFFAOYSA-N 1 0 317.392 4.455 40 0 DIABRO O[C@@H](c1ccccc1)[C@H]([NH2+]CCc1ccccc1)c1ccccc1 ZINC000031962133 563441201 /nfs/dbraw/zinc/44/12/01/563441201.db2.gz SLMTURVZZPYFOH-YADHBBJMSA-N 1 0 317.432 4.294 40 0 DIABRO COc1ccccc1-c1ccccc1C[N@H+](C)Cc1cc(C)n[nH]1 ZINC000036752893 563457366 /nfs/dbraw/zinc/45/73/66/563457366.db2.gz TVGRGEXIPXUVIW-UHFFFAOYSA-N 1 0 321.424 4.026 40 0 DIABRO C[NH+](C)CCOc1ccc(F)cc1Oc1cccc(Cl)c1 ZINC000585265212 563536988 /nfs/dbraw/zinc/53/69/88/563536988.db2.gz ITSIFOUOPPPGHQ-UHFFFAOYSA-N 1 0 309.768 4.212 40 0 DIABRO CCCCC[C@@H](C[NH+](C)C)[C@H](O)/C=C\c1ccccc1Cl ZINC000104143265 563562495 /nfs/dbraw/zinc/56/24/95/563562495.db2.gz JWECFDHHHFPOGP-MZVJFUNZSA-N 1 0 309.881 4.472 40 0 DIABRO Brc1ccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000085394446 563569252 /nfs/dbraw/zinc/56/92/52/563569252.db2.gz BJTQABVGRQECFZ-NVXWUHKLSA-N 1 0 316.242 4.342 40 0 DIABRO Cc1ccc2oc(-c3ccc[n+](Cc4ccccc4F)c3)nc2c1 ZINC000226307971 563605052 /nfs/dbraw/zinc/60/50/52/563605052.db2.gz CTGQNMVTZRUANO-UHFFFAOYSA-N 1 0 319.359 4.278 40 0 DIABRO Fc1cccc(C[n+]2cccc(-c3nc4ccccc4s3)c2)c1 ZINC000226308188 563605131 /nfs/dbraw/zinc/60/51/31/563605131.db2.gz WMBAZWPUJHTPFF-UHFFFAOYSA-N 1 0 321.400 4.438 40 0 DIABRO COc1ccc2[nH+]c(C)cc(Nc3ccc(NC(C)=O)cc3)c2c1 ZINC000000303358 563607398 /nfs/dbraw/zinc/60/73/98/563607398.db2.gz BVUICDJDFFGMBE-UHFFFAOYSA-N 1 0 321.380 4.254 40 0 DIABRO CC[NH+](CC)Cc1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000000568301 563631328 /nfs/dbraw/zinc/63/13/28/563631328.db2.gz JYBBUZOIQDQARS-NTCAYCPXSA-N 1 0 308.425 4.180 40 0 DIABRO C[NH2+]CCCNc1cc(C)nc2c(Oc3ccccc3)cccc12 ZINC000222693100 563727156 /nfs/dbraw/zinc/72/71/56/563727156.db2.gz BCYZPWGCCNVQLC-UHFFFAOYSA-N 1 0 321.424 4.357 40 0 DIABRO C[N@H+](CCc1ccc2c(Cl)ccc(O)c2n1)C1CCCCC1 ZINC000059474706 563771537 /nfs/dbraw/zinc/77/15/37/563771537.db2.gz GQXCVQDVFCZAAF-UHFFFAOYSA-N 1 0 318.848 4.401 40 0 DIABRO Cc1ccccc1-c1noc([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000257230554 563791749 /nfs/dbraw/zinc/79/17/49/563791749.db2.gz GCVRIYAOYMYQMO-KRWDZBQOSA-N 1 0 319.408 4.035 40 0 DIABRO Cc1nc(N2Cc3ccccc3C[C@@H]2C)cc(NC2CCCC2)[nH+]1 ZINC000329063835 563833533 /nfs/dbraw/zinc/83/35/33/563833533.db2.gz XFPGWXVXHKCUHP-AWEZNQCLSA-N 1 0 322.456 4.091 40 0 DIABRO Cc1[nH]c2ccccc2c1[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000028466920 563842401 /nfs/dbraw/zinc/84/24/01/563842401.db2.gz SEMHWXKEVPSYOZ-OAQYLSRUSA-N 1 0 320.436 4.206 40 0 DIABRO COc1cc(C[NH2+]CCc2ccccc2)ccc1OCC(C)C ZINC000032231597 563857691 /nfs/dbraw/zinc/85/76/91/563857691.db2.gz HFWZXPITGUBIBE-UHFFFAOYSA-N 1 0 313.441 4.062 40 0 DIABRO C[C@@H]1CCCN([PH+](c2ccccc2)N2CCC[C@@H](C)C2)C1 ZINC000016911673 563922826 /nfs/dbraw/zinc/92/28/26/563922826.db2.gz RTEVWEPQWAUGNR-IAGOWNOFSA-N 1 0 304.418 4.088 40 0 DIABRO N=C(N=O)C1=CC[N@@H+](C(c2ccccc2)c2ccccc2)C=C1 ZINC000038185653 563923069 /nfs/dbraw/zinc/92/30/69/563923069.db2.gz PMIJNVDDQZYSGK-UHFFFAOYSA-N 1 0 303.365 4.056 40 0 DIABRO O=[n+]1c2ccccc2n(O)c2c1CCCCCCCCCC2 ZINC000138159565 563923498 /nfs/dbraw/zinc/92/34/98/563923498.db2.gz OIZUZLYSIYMNKI-UHFFFAOYSA-N 1 0 301.410 4.013 40 0 DIABRO N=C(Nc1ccc(Cl)cc1)C(=N)Nc1ccc(Cl)cc1 ZINC000255190598 568417119 /nfs/dbraw/zinc/41/71/19/568417119.db2.gz YFUIRNKWCLPZAP-UHFFFAOYSA-N 1 0 307.184 4.472 40 0 DIABRO O=C(C[NH+]1CCCCCC1)Nc1ccccc1-c1ccccc1 ZINC000000411766 568421644 /nfs/dbraw/zinc/42/16/44/568421644.db2.gz RRXGONGMTCRWTG-UHFFFAOYSA-N 1 0 308.425 4.168 40 0 DIABRO O=C(Nc1cccc2ccccc21)c1ccc(C[NH+]2CCCC2)o1 ZINC000027984066 1056057302 /nfs/dbraw/zinc/05/73/02/1056057302.db2.gz JHKSDWYGLRUTBY-UHFFFAOYSA-N 1 0 320.392 4.281 40 0 DIABRO CCC[N@H+](CCc1cccs1)C1CCc2c(O)cccc2C1 ZINC001560407647 1060192839 /nfs/dbraw/zinc/19/28/39/1060192839.db2.gz XXEYVQXGKYTPJL-UHFFFAOYSA-N 1 0 314.474 4.429 40 0 DIABRO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(c1ccccc1)c1ccccc1)C2 ZINC000000968360 180837818 /nfs/dbraw/zinc/83/78/18/180837818.db2.gz GIJXKZJWITVLHI-YOFSQIOKSA-N 1 0 307.437 4.418 40 0 in-vitro DIABRO COc1cc2cccnc2c(NCCCCC[NH2+]CC(C)C)c1 ZINC000001687531 180888527 /nfs/dbraw/zinc/88/85/27/180888527.db2.gz OGCLRJAHTILUOL-UHFFFAOYSA-N 1 0 315.461 4.071 40 0 DIABRO CC(C)[C@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(C)O ZINC000004162264 181079538 /nfs/dbraw/zinc/07/95/38/181079538.db2.gz LDCYUQWOTSEZCL-UWHLTILDSA-N 1 0 309.453 4.486 40 0 DIABRO CCC[C@H](C(=O)OCC[N@@H+]1C[C@H](C)CC1(C)C)C1CCCC1 ZINC000004411185 181107433 /nfs/dbraw/zinc/10/74/33/181107433.db2.gz SDCSZRGNRKNQRO-WBVHZDCISA-N 1 0 309.494 4.257 40 0 DIABRO CC(C)[N@@H+]1CC[C@@H](CC(O)(c2ccccc2)c2ccccc2)C1 ZINC000004537370 181121260 /nfs/dbraw/zinc/12/12/60/181121260.db2.gz MBVRSTMYIZMMCP-SFHVURJKSA-N 1 0 309.453 4.043 40 0 DIABRO Cc1ccc2c(c1)N(C(=O)C[NH2+]C1CCCC1)C(C)(C)C=C2C ZINC000004896783 181169653 /nfs/dbraw/zinc/16/96/53/181169653.db2.gz QFVAHFZYBMFWBC-UHFFFAOYSA-N 1 0 312.457 4.056 40 0 DIABRO CCC(C(=O)[C@H](C)C[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000005964855 181301705 /nfs/dbraw/zinc/30/17/05/181301705.db2.gz FGGFXBCANDWASR-QGZVFWFLSA-N 1 0 309.453 4.150 40 0 DIABRO CC[C@H](OC[C@@H](O)C[N@H+](CC)C1CCCCC1)c1ccccc1 ZINC000006355961 181333856 /nfs/dbraw/zinc/33/38/56/181333856.db2.gz DWZLRCJCECLENB-PMACEKPBSA-N 1 0 319.489 4.170 40 0 DIABRO COc1cccc(C[NH2+]CC(C)C)c1OCc1ccccc1F ZINC000006883655 181401069 /nfs/dbraw/zinc/40/10/69/181401069.db2.gz IZXVXEMQQXJDMJ-UHFFFAOYSA-N 1 0 317.404 4.159 40 0 DIABRO CC(C)C[N@@H+]1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 ZINC000257276966 203005595 /nfs/dbraw/zinc/00/55/95/203005595.db2.gz NVXDFXCKJJEGTD-MRXNPFEDSA-N 1 0 316.420 4.240 40 0 DIABRO Clc1cccc(N[C@H]2CCC[NH2+][C@H]2Cc2ccccc2)c1 ZINC000257289520 203015019 /nfs/dbraw/zinc/01/50/19/203015019.db2.gz PYZHLBRDQFQQMA-ROUUACIJSA-N 1 0 300.833 4.115 40 0 DIABRO Cc1ccsc1C[N@@H+]1CCCC[C@H]1c1ncn2ccsc12 ZINC000257340914 203062994 /nfs/dbraw/zinc/06/29/94/203062994.db2.gz ZIBUYDFPSPXUGZ-ZDUSSCGKSA-N 1 0 317.483 4.493 40 0 DIABRO CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000008325970 181548140 /nfs/dbraw/zinc/54/81/40/181548140.db2.gz VIPRRTMDNXRHKF-MRXNPFEDSA-N 1 0 313.441 4.471 40 0 DIABRO COc1cc(C[NH2+]CC(C)C)ccc1OCc1cccc(C)c1 ZINC000016349288 182042200 /nfs/dbraw/zinc/04/22/00/182042200.db2.gz FZERRTJPPNONNN-UHFFFAOYSA-N 1 0 313.441 4.328 40 0 DIABRO COc1cc(C[NH2+]C(C)(C)C)ccc1OCc1cccc(C)c1 ZINC000016349240 182042306 /nfs/dbraw/zinc/04/23/06/182042306.db2.gz QBYLHIZWDCWGHT-UHFFFAOYSA-N 1 0 313.441 4.471 40 0 DIABRO C[C@@H]1CCCN([P@H+](c2ccccc2)N2CCC[C@H](C)C2)C1 ZINC000017023703 182068357 /nfs/dbraw/zinc/06/83/57/182068357.db2.gz RTEVWEPQWAUGNR-QRTHJKPMSA-N 1 0 304.418 4.088 40 0 DIABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(Cl)cc2)on1 ZINC000019120561 182105267 /nfs/dbraw/zinc/10/52/67/182105267.db2.gz OPMPKZXDPVNBIV-WMLDXEAASA-N 1 0 304.821 4.137 40 0 DIABRO Fc1ccccc1C[N@@H+]1CCC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000019349017 182117944 /nfs/dbraw/zinc/11/79/44/182117944.db2.gz ZLEOOIZNIZLEQH-MRXNPFEDSA-N 1 0 309.388 4.082 40 0 DIABRO Cn1ccc([C@H]2CCCCC[N@@H+]2Cc2ccnc3ccccc23)n1 ZINC000019291101 182113881 /nfs/dbraw/zinc/11/38/81/182113881.db2.gz BKTMPMFMIUSJOI-HXUWFJFHSA-N 1 0 320.440 4.086 40 0 DIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N(C)c3ccccc3)cc2)C1 ZINC000020105321 182186473 /nfs/dbraw/zinc/18/64/73/182186473.db2.gz JFWMKZIXNBXTTO-KRWDZBQOSA-N 1 0 322.452 4.195 40 0 DIABRO CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Br)o1 ZINC000020158481 182194055 /nfs/dbraw/zinc/19/40/55/182194055.db2.gz HWJQDEYFBHVEIL-UHFFFAOYSA-N 1 0 314.610 4.472 40 0 DIABRO CC[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000020875640 182251765 /nfs/dbraw/zinc/25/17/65/182251765.db2.gz DVSHLIRDIQGDBL-UHFFFAOYSA-N 1 0 314.610 4.472 40 0 DIABRO COc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccccc1 ZINC000022074315 182307702 /nfs/dbraw/zinc/30/77/02/182307702.db2.gz HOWGHMFKYBXAFS-UHFFFAOYSA-N 1 0 310.224 4.334 40 0 DIABRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000038833325 183011022 /nfs/dbraw/zinc/01/10/22/183011022.db2.gz WGMALTLQSNSRMZ-LJQANCHMSA-N 1 0 322.452 4.154 40 0 DIABRO Cc1cc(Nc2ccc(C(=O)OC(C)C)cc2)c2ccccc2[nH+]1 ZINC000040400790 183061675 /nfs/dbraw/zinc/06/16/75/183061675.db2.gz VTAILIWFUNOQKI-UHFFFAOYSA-N 1 0 320.392 4.274 40 0 DIABRO Cc1nn(C(C)C)c(C)c1C[N@H+](C)Cc1cccc2ncccc12 ZINC000057811536 184055301 /nfs/dbraw/zinc/05/53/01/184055301.db2.gz VSYDJKPURFLOJA-UHFFFAOYSA-N 1 0 322.456 4.261 40 0 DIABRO COc1cc2[nH+]ccc(Nc3cccc(C(C)=O)c3)c2cc1OC ZINC000065005319 184308298 /nfs/dbraw/zinc/30/82/98/184308298.db2.gz SUZXQHKQOYWLRB-UHFFFAOYSA-N 1 0 322.364 4.198 40 0 DIABRO Cc1nc(N(C)Cc2ccccc2)ccc1[C@H]([NH3+])c1ccccc1 ZINC000072224447 257123056 /nfs/dbraw/zinc/12/30/56/257123056.db2.gz QAZDMYXMVIRCNR-OAQYLSRUSA-N 1 0 317.436 4.075 40 0 DIABRO Cc1cc(N(C)Cc2ccccc2)ncc1[C@@H]([NH3+])c1ccccc1 ZINC000072223406 257123374 /nfs/dbraw/zinc/12/33/74/257123374.db2.gz OQQGINUPDZVWFP-NRFANRHFSA-N 1 0 317.436 4.075 40 0 DIABRO Cc1nc(N2CCc3ccccc32)ccc1[C@@H]([NH3+])c1ccccc1 ZINC000072224996 257123401 /nfs/dbraw/zinc/12/34/01/257123401.db2.gz AUTVIUNJGAWBDN-NRFANRHFSA-N 1 0 315.420 4.132 40 0 DIABRO Cc1nc(N(C)c2ccccc2)ccc1[C@@H]([NH3+])c1ccccc1 ZINC000072224394 257123424 /nfs/dbraw/zinc/12/34/24/257123424.db2.gz CJXNSLOSZUMRQG-FQEVSTJZSA-N 1 0 303.409 4.206 40 0 DIABRO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccccc2)cnc1N1CCCC1 ZINC000072218790 257124277 /nfs/dbraw/zinc/12/42/77/257124277.db2.gz YPUPGRWSEBXAJS-HXUWFJFHSA-N 1 0 321.468 4.327 40 0 DIABRO Cc1nc(N2CCCC2)ccc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072218942 257124457 /nfs/dbraw/zinc/12/44/57/257124457.db2.gz YTPFBLLRLMEPNK-SFHVURJKSA-N 1 0 301.478 4.173 40 0 DIABRO Cc1cc([C@H]2CCC[N@H+]2CC(C)C)cnc1N1CCCCC1 ZINC000072219164 257124543 /nfs/dbraw/zinc/12/45/43/257124543.db2.gz VXJZUISPKOQRPL-GOSISDBHSA-N 1 0 301.478 4.173 40 0 DIABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216646 257125426 /nfs/dbraw/zinc/12/54/26/257125426.db2.gz LNQWCARFVNGIPJ-SFHVURJKSA-N 1 0 301.478 4.255 40 0 DIABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214397 257126183 /nfs/dbraw/zinc/12/61/83/257126183.db2.gz GUEJEBAKBFDSMD-HNNXBMFYSA-N 1 0 319.449 4.366 40 0 DIABRO CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[NH2+]2)cn1 ZINC000072214690 257126615 /nfs/dbraw/zinc/12/66/15/257126615.db2.gz ZWVCTPSCZUKVOT-HNNXBMFYSA-N 1 0 319.449 4.048 40 0 DIABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[NH2+]1 ZINC000072215194 257126657 /nfs/dbraw/zinc/12/66/57/257126657.db2.gz UZFOCZRKEFAVNH-ZFWWWQNUSA-N 1 0 319.449 4.046 40 0 DIABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC000072214960 257126666 /nfs/dbraw/zinc/12/66/66/257126666.db2.gz ACHLZRRTOJAVEO-HNNXBMFYSA-N 1 0 319.449 4.048 40 0 DIABRO CCN(C)c1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072212802 257127142 /nfs/dbraw/zinc/12/71/42/257127142.db2.gz AXHJWLDWGDEWNG-IBGZPJMESA-N 1 0 309.457 4.265 40 0 DIABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212082 257127235 /nfs/dbraw/zinc/12/72/35/257127235.db2.gz TYVXZFGEZRCVSG-LJQANCHMSA-N 1 0 310.441 4.454 40 0 DIABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212023 257127416 /nfs/dbraw/zinc/12/74/16/257127416.db2.gz IIFRNFPXBLFDHX-IBGZPJMESA-N 1 0 310.441 4.454 40 0 DIABRO COc1cc2ccc(CC[NH2+]Cc3ccccc3)cc2cc1OC ZINC000001729400 331467340 /nfs/dbraw/zinc/46/73/40/331467340.db2.gz PFWMODBBBBYBAZ-UHFFFAOYSA-N 1 0 321.420 4.189 40 0 DIABRO Fc1ccc(C[N@@H+]2CC[C@H](c3nc4ccccc4o3)C2)cc1F ZINC000049168867 560084833 /nfs/dbraw/zinc/08/48/33/560084833.db2.gz JICXHQCRCLRPJJ-ZDUSSCGKSA-N 1 0 314.335 4.096 40 0 biogenic,in-vitro DIABRO C[NH+](C)[C@@H]1C[C@@](c2cccs2)(C2CCCCC2)CCC1=O ZINC000001577547 563285735 /nfs/dbraw/zinc/28/57/35/563285735.db2.gz KGFHLVDDNFZNTD-CRAIPNDOSA-N 1 0 305.487 4.249 40 0 DIABRO CC(=O)[C@@H](CC[NH+](C)C)c1ccc2c(c1)CCc1ccccc1-2 ZINC000001594885 563286908 /nfs/dbraw/zinc/28/69/08/563286908.db2.gz FLJOWAJUTGCGMY-LJQANCHMSA-N 1 0 307.437 4.077 40 0 DIABRO COc1cc2cccnc2c(NCCCC[NH2+]CC(C)(C)C)c1 ZINC000001599095 563287681 /nfs/dbraw/zinc/28/76/81/563287681.db2.gz UAYNUYPVMSWBAB-UHFFFAOYSA-N 1 0 315.461 4.071 40 0 DIABRO C[NH+](C)C[C@H](O)c1ccc(/C=C/c2ccc(Cl)cc2)cc1 ZINC000001628141 563288715 /nfs/dbraw/zinc/28/87/15/563288715.db2.gz KBGPTRHFMZERIT-WHLIDYPQSA-N 1 0 301.817 4.105 40 0 DIABRO CC(C)[N@@H+]1CC[C@H](CC(O)(c2ccccc2)c2ccccc2)C1 ZINC000001628103 563288814 /nfs/dbraw/zinc/28/88/14/563288814.db2.gz MBVRSTMYIZMMCP-GOSISDBHSA-N 1 0 309.453 4.043 40 0 DIABRO OCCCC1CC[NH+]([C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000001666344 563289790 /nfs/dbraw/zinc/28/97/90/563289790.db2.gz UZQKRJMVGWBHAR-QFIPXVFZSA-N 1 0 323.480 4.455 40 0 DIABRO CC[NH+](CC)[C@@H](C)[C@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000001687279 563291272 /nfs/dbraw/zinc/29/12/72/563291272.db2.gz OJOOGONWKGNBDZ-BTYIYWSLSA-N 1 0 311.469 4.482 40 0 DIABRO C[C@H](C[NH+](C)C)[C@](O)(c1ccc(Cl)cc1)C1CCCCC1 ZINC000001698636 563291849 /nfs/dbraw/zinc/29/18/49/563291849.db2.gz GYKTWUOGJHJSJV-RDTXWAMCSA-N 1 0 309.881 4.306 40 0 DIABRO CCC(=O)C(c1ccccc1)(c1ccccc1)[C@H](C)C[NH+](C)C ZINC000001707692 563292391 /nfs/dbraw/zinc/29/23/91/563292391.db2.gz IFKPLJWIEQBPGG-QGZVFWFLSA-N 1 0 309.453 4.150 40 0 in-man DIABRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CC(=O)c1ccccc1 ZINC000001716181 563293102 /nfs/dbraw/zinc/29/31/02/563293102.db2.gz NTDITIGBWSJJEV-KRWDZBQOSA-N 1 0 307.437 4.486 40 0 DIABRO Cc1ccc(C(=O)OCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000001716146 563293211 /nfs/dbraw/zinc/29/32/11/563293211.db2.gz QGKGHFCTCDVVCX-UHFFFAOYSA-N 1 0 323.436 4.338 40 0 DIABRO CC1CCN([PH+](c2ccccc2)N2CCC(C)CC2)CC1 ZINC000001737480 563294721 /nfs/dbraw/zinc/29/47/21/563294721.db2.gz FJPWXXUVZAKXTA-UHFFFAOYSA-N 1 0 304.418 4.088 40 0 DIABRO CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000002694338 563311403 /nfs/dbraw/zinc/31/14/03/563311403.db2.gz MXLQQVUOBRCPCA-INIZCTEOSA-N 1 0 321.505 4.354 40 0 DIABRO CC[C@@H](OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C)c1ccccc1 ZINC000002694601 563311821 /nfs/dbraw/zinc/31/18/21/563311821.db2.gz PPTAYKHJILTVIZ-ZWKOTPCHSA-N 1 0 321.505 4.320 40 0 DIABRO CCOc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Cl)c1OC ZINC000008253686 563345123 /nfs/dbraw/zinc/34/51/23/563345123.db2.gz KEWJMRGYHWERCM-UHFFFAOYSA-N 1 0 323.795 4.176 40 0 DIABRO CCOc1cc(C[NH2+]C)cc(Cl)c1OCc1ccccc1F ZINC000008254144 563345448 /nfs/dbraw/zinc/34/54/48/563345448.db2.gz CQWGAAHELGLKGT-UHFFFAOYSA-N 1 0 323.795 4.176 40 0 DIABRO CC[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000008326723 563345835 /nfs/dbraw/zinc/34/58/35/563345835.db2.gz ZQTDSFRKPZBAQS-AWEZNQCLSA-N 1 0 317.404 4.301 40 0 DIABRO CC[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000008326720 563346103 /nfs/dbraw/zinc/34/61/03/563346103.db2.gz VIPRRTMDNXRHKF-INIZCTEOSA-N 1 0 313.441 4.471 40 0 DIABRO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@@H+]1Cc1ccc(C(C)C)cc1 ZINC000013265238 563380176 /nfs/dbraw/zinc/38/01/76/563380176.db2.gz WHHLKJUYMQCJMR-FXAWDEMLSA-N 1 0 307.441 4.170 40 0 DIABRO CCCCOc1ccc(C[NH2+]CCCOC(C)C)cc1OCC ZINC000036612737 563408490 /nfs/dbraw/zinc/40/84/90/563408490.db2.gz ASIVNHUVOLVGBC-UHFFFAOYSA-N 1 0 323.477 4.169 40 0 DIABRO NC(=[NH2+])S[C@H]1c2ccccc2-c2ccc(Br)cc21 ZINC000017429286 563415022 /nfs/dbraw/zinc/41/50/22/563415022.db2.gz NQTNUAIGIMSAQY-ZDUSSCGKSA-N 1 0 319.227 4.146 40 0 DIABRO Cc1c(Cl)ccc([C@@H](O)C[N@@H+](C)Cc2ccccc2)c1Cl ZINC000031912240 563441136 /nfs/dbraw/zinc/44/11/36/563441136.db2.gz NTIUTEYRJPOJNH-INIZCTEOSA-N 1 0 324.251 4.467 40 0 DIABRO Cc1c(Cl)ccc([C@H](O)C[N@@H+](C)Cc2ccccc2)c1Cl ZINC000031912236 563441383 /nfs/dbraw/zinc/44/13/83/563441383.db2.gz NTIUTEYRJPOJNH-MRXNPFEDSA-N 1 0 324.251 4.467 40 0 DIABRO CC[n+]1ccc(-c2nc3ccc(Br)cc3s2)cc1 ZINC000226776507 563605222 /nfs/dbraw/zinc/60/52/22/563605222.db2.gz ZZRZPEWACKYGBW-UHFFFAOYSA-N 1 0 320.235 4.033 40 0 DIABRO CN(C)c1ccc(-c2nc3ccccn3c2NC2CCCC2)cc1 ZINC000000417910 563608925 /nfs/dbraw/zinc/60/89/25/563608925.db2.gz GPFBQDICZNKCCR-UHFFFAOYSA-N 1 0 320.440 4.422 40 0 DIABRO CC(C)[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(C)O ZINC000002502147 563619592 /nfs/dbraw/zinc/61/95/92/563619592.db2.gz LDCYUQWOTSEZCL-XSDIEEQYSA-N 1 0 309.453 4.486 40 0 DIABRO CCc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000000514872 563630367 /nfs/dbraw/zinc/63/03/67/563630367.db2.gz UMYVUTSKHQEZCX-UHFFFAOYSA-N 1 0 308.425 4.097 40 0 DIABRO CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000008227262 563641668 /nfs/dbraw/zinc/64/16/68/563641668.db2.gz RDPDBXIIKNODFR-UHFFFAOYSA-N 1 0 319.832 4.427 40 0 DIABRO CC[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000008227192 563641761 /nfs/dbraw/zinc/64/17/61/563641761.db2.gz RCTXZJFOYCCVDB-UHFFFAOYSA-N 1 0 323.795 4.176 40 0 DIABRO COc1cc(C[NH2+]C2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000008471467 563642508 /nfs/dbraw/zinc/64/25/08/563642508.db2.gz NJVMVKKJGXUVON-UHFFFAOYSA-N 1 0 317.816 4.180 40 0 DIABRO NC1=[NH+]N(c2ccc(C(F)(F)F)cc2)[C@@H](c2ccc(F)cc2)C1 ZINC000222548635 563726038 /nfs/dbraw/zinc/72/60/38/563726038.db2.gz BQYDTSDJQOGKBB-CQSZACIVSA-N 1 0 323.293 4.068 40 0 DIABRO CC(C)n1nccc1-c1cccc(C2CC[NH+](C(C)C)CC2)n1 ZINC000257240747 563791764 /nfs/dbraw/zinc/79/17/64/563791764.db2.gz HUZWYVPSQHXZEJ-UHFFFAOYSA-N 1 0 312.461 4.114 40 0 DIABRO CC[C@H](C)Nc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C)[nH+]1 ZINC000329044255 563833406 /nfs/dbraw/zinc/83/34/06/563833406.db2.gz SVTBXYWRCHGNBL-AWEZNQCLSA-N 1 0 324.472 4.293 40 0 DIABRO CCNc1cc(N2Cc3ccccc3CC2(C)C)nc(C(C)C)[nH+]1 ZINC000329041401 563833566 /nfs/dbraw/zinc/83/35/66/563833566.db2.gz SJHBXMHJFXFTQO-UHFFFAOYSA-N 1 0 324.472 4.373 40 0 DIABRO Cc1cc(N2Cc3ccccc3C[C@H]2C)nc(NC2CCCC2)[nH+]1 ZINC000329034823 563833717 /nfs/dbraw/zinc/83/37/17/563833717.db2.gz RAKXWPVCIOIRNE-OAHLLOKOSA-N 1 0 322.456 4.091 40 0 DIABRO CC[C@H](C)Nc1cc(N2Cc3ccccc3CC2(C)C)nc(C)[nH+]1 ZINC000329033793 563833842 /nfs/dbraw/zinc/83/38/42/563833842.db2.gz QWDSHZLYVASFEU-AWEZNQCLSA-N 1 0 324.472 4.337 40 0 DIABRO Clc1ccc2oc([C@H]3CC[N@H+](Cc4ccccc4)C3)nc2c1 ZINC000035442900 563867199 /nfs/dbraw/zinc/86/71/99/563867199.db2.gz NACRNZGTZKVXLQ-AWEZNQCLSA-N 1 0 312.800 4.471 40 0 biogenic,in-vitro DIABRO C[C@H]([NH2+][C@H]1CCCC[C@]1(O)C#Cc1ccccc1)c1ccccc1 ZINC000095951411 563923410 /nfs/dbraw/zinc/92/34/10/563923410.db2.gz AARQIPNIUYKDTQ-NYVOZVTQSA-N 1 0 319.448 4.063 40 0 DIABRO CCCOc1ccc(C(=O)[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000003068306 563941923 /nfs/dbraw/zinc/94/19/23/563941923.db2.gz XPCSEUAVZBRTEN-LJQANCHMSA-N 1 0 311.425 4.004 40 0 DIABRO CCC[N@@H+]1C[C@H](CSC)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000008830624 563950963 /nfs/dbraw/zinc/95/09/63/563950963.db2.gz YEHCICAEULNIGD-RPVQJOFSSA-N 1 0 314.498 4.271 40 0 in-vitro DIABRO CC[NH+](CC)CCC[C@H](C)Nc1ccnc2cc(Cl)cnc21 ZINC000001568038 568412293 /nfs/dbraw/zinc/41/22/93/568412293.db2.gz BQVDVWSLPFXJQB-ZDUSSCGKSA-N 1 0 320.868 4.206 40 0 DIABRO CC[n+]1c(/C=C(\C)NCc2ccccc2)sc2ccccc21 ZINC000001920996 568413972 /nfs/dbraw/zinc/41/39/72/568413972.db2.gz BKIFMBDBBCZGIW-UHFFFAOYSA-O 1 0 309.458 4.359 40 0 DIABRO CCc1ccc(C[N@@H+](Cc2sccc2C)C[C@H](C)O)cc1 ZINC000013991370 1041502616 /nfs/dbraw/zinc/50/26/16/1041502616.db2.gz YTLUXBFFPHILTM-HNNXBMFYSA-N 1 0 303.471 4.002 40 0 DIABRO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000004902409 1047626293 /nfs/dbraw/zinc/62/62/93/1047626293.db2.gz CQUBGBZSMXDPTM-MRXNPFEDSA-N 1 0 324.424 4.149 40 0 DIABRO O[C@@H]1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC001547139797 1058238011 /nfs/dbraw/zinc/23/80/11/1058238011.db2.gz ASUIJTQOWIPBJV-KJJMTIBFSA-N 1 0 321.464 4.206 40 0 DIABRO FC(F)(F)c1ccc(Cc2cccc(C3CC[NH2+]CC3)n2)cc1 ZINC000072348406 191128265 /nfs/dbraw/zinc/12/82/65/191128265.db2.gz LYURSDMWAHQIPS-UHFFFAOYSA-N 1 0 320.358 4.158 40 0 DIABRO Cc1cnc(Nc2cccc([C@H]3CCC[N@@H+]3CC3CC3)n2)s1 ZINC000072375232 191139446 /nfs/dbraw/zinc/13/94/46/191139446.db2.gz GEGBCGDVTKOOLR-OAHLLOKOSA-N 1 0 314.458 4.137 40 0 DIABRO Cc1ccccc1C[N@@H+]1CC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000072369821 191139808 /nfs/dbraw/zinc/13/98/08/191139808.db2.gz LHBXKGCRNQVEMI-SFHVURJKSA-N 1 0 319.408 4.035 40 0 DIABRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2c3cccnc3[nH]c2C(F)(F)F)C1 ZINC000072393363 191148787 /nfs/dbraw/zinc/14/87/87/191148787.db2.gz DPNZUHQWLYTKES-PHIMTYICSA-N 1 0 311.351 4.060 40 0 DIABRO CC[C@H](OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)c1ccccc1 ZINC000002694597 180947153 /nfs/dbraw/zinc/94/71/53/180947153.db2.gz PPTAYKHJILTVIZ-MSOLQXFVSA-N 1 0 321.505 4.320 40 0 DIABRO CCC[C@H]1[C@@H](O)[C@@H](C)[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000004652792 181131949 /nfs/dbraw/zinc/13/19/49/181131949.db2.gz GCUZTKRRUTYKPX-UYMUPBKUSA-N 1 0 309.453 4.486 40 0 DIABRO CCCCC[C@@H](C)[NH2+]C[C@@H](O)Cc1ccc(OCCCC)cc1 ZINC000004721973 181142135 /nfs/dbraw/zinc/14/21/35/181142135.db2.gz BEIBQSJRJBTTMQ-MJGOQNOKSA-N 1 0 321.505 4.327 40 0 DIABRO O=C(OCC[NH+]1CCCCC1)c1sc2ccccc2c1Cl ZINC000004744034 181146041 /nfs/dbraw/zinc/14/60/41/181146041.db2.gz WGCYBRYLLNUFMU-UHFFFAOYSA-N 1 0 323.845 4.197 40 0 DIABRO CC[N@H+]1CC=C(c2nc3ccc(Br)cc3s2)CC1 ZINC000073638879 191333692 /nfs/dbraw/zinc/33/36/92/191333692.db2.gz GQLDKHSOPNEADO-UHFFFAOYSA-N 1 0 323.259 4.168 40 0 DIABRO c1ccc2c(c1)CCc1ccccc1N2[C@H]1C[NH+]2CCC1CC2 ZINC000005162687 181212419 /nfs/dbraw/zinc/21/24/19/181212419.db2.gz JCBQCKFFSPGEDY-NRFANRHFSA-N 1 0 304.437 4.018 40 0 in-man DIABRO COc1ccc(CC[NH2+][C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1OC ZINC000005412179 181240174 /nfs/dbraw/zinc/24/01/74/181240174.db2.gz NFFKFPDZEUOKMC-QKYXUNIQSA-N 1 0 317.473 4.051 40 0 DIABRO O=C(c1ccccc1)[C@@H]1C[N@@H+](C2CCCC2)[C@H]1c1ccccc1 ZINC000005412044 181240190 /nfs/dbraw/zinc/24/01/90/181240190.db2.gz DYOADTOJACZXAL-UXHICEINSA-N 1 0 305.421 4.485 40 0 DIABRO CCC(=O)[C@](CC[NH+](C)C)(c1cccs1)C1CCCCC1 ZINC000005964798 181301325 /nfs/dbraw/zinc/30/13/25/181301325.db2.gz MTUJSLYLOCBLKQ-GOSISDBHSA-N 1 0 307.503 4.497 40 0 DIABRO Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000005968226 181302048 /nfs/dbraw/zinc/30/20/48/181302048.db2.gz JFFVUPLRAUGKIO-UHFFFAOYSA-N 1 0 308.425 4.233 40 0 DIABRO Cc1cc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)ccc1C(C)C ZINC000006008658 181305410 /nfs/dbraw/zinc/30/54/10/181305410.db2.gz RHJQCYHOOZGEOK-SFHVURJKSA-N 1 0 319.489 4.123 40 0 DIABRO O=C(C[C@@H](c1ccccc1)[NH+]1CCCCC1)OCc1ccccc1 ZINC000006580099 181356462 /nfs/dbraw/zinc/35/64/62/181356462.db2.gz PWMHOMZHKCPYAJ-FQEVSTJZSA-N 1 0 323.436 4.347 40 0 DIABRO CCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000007261732 181450271 /nfs/dbraw/zinc/45/02/71/181450271.db2.gz SWYXIXWNHAWOGU-UHFFFAOYSA-N 1 0 317.404 4.303 40 0 DIABRO O[C@H]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC000095951715 193456262 /nfs/dbraw/zinc/45/62/62/193456262.db2.gz ASUIJTQOWIPBJV-YUMYIRISSA-N 1 0 321.464 4.206 40 0 DIABRO c1ccc(-c2nc3ccccc3nc2C[NH+]2CCCCC2)cc1 ZINC000016492028 182047607 /nfs/dbraw/zinc/04/76/07/182047607.db2.gz FOLPROHTKZCZHU-UHFFFAOYSA-N 1 0 303.409 4.283 40 0 DIABRO COc1ccc([C@H]2[C@H]([NH2+]Cc3ccncc3C)[C@@H]3CCC[C@@H]32)cc1 ZINC000019239542 182111107 /nfs/dbraw/zinc/11/11/07/182111107.db2.gz UROATCKCVJSPEU-DOIPELPJSA-N 1 0 322.452 4.071 40 0 DIABRO COc1ccc([C@@H]2[C@@H]3CCC[C@H]3[C@H]2[NH2+]Cc2ccncc2C)cc1 ZINC000019239540 182111239 /nfs/dbraw/zinc/11/12/39/182111239.db2.gz UROATCKCVJSPEU-XRXFAXGQSA-N 1 0 322.452 4.071 40 0 DIABRO CC(C)(C)c1n[nH]cc1C[NH2+][C@@H]1[C@@H]2CCC[C@H]2[C@H]1c1ccccc1 ZINC000019083512 182104647 /nfs/dbraw/zinc/10/46/47/182104647.db2.gz DWSNZJJRBMJQGC-NCXUSEDFSA-N 1 0 323.484 4.379 40 0 DIABRO Fc1cccc(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1 ZINC000019293835 182113560 /nfs/dbraw/zinc/11/35/60/182113560.db2.gz LMFJXEGIOGUMAO-MRXNPFEDSA-N 1 0 309.388 4.082 40 0 DIABRO CCCc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)s1 ZINC000019525493 182127810 /nfs/dbraw/zinc/12/78/10/182127810.db2.gz KFGPLBFGCQNYKL-KBXCAEBGSA-N 1 0 318.486 4.498 40 0 DIABRO CCCc1ncc(C[NH2+][C@@H]2[C@H]3CCC[C@H]3[C@H]2c2ccccc2)cn1 ZINC000019525786 182128293 /nfs/dbraw/zinc/12/82/93/182128293.db2.gz PAPSKKLIZVECSO-KOUHRCEDSA-N 1 0 321.468 4.101 40 0 DIABRO Cc1ccc(COc2ccc(C[NH2+]Cc3ccco3)cc2)cc1 ZINC000020873785 182250652 /nfs/dbraw/zinc/25/06/52/182250652.db2.gz UKXYSWNRVSFVMZ-UHFFFAOYSA-N 1 0 307.393 4.457 40 0 DIABRO CC[NH+](CC)CCN[C@@H](c1ccccc1)C(Cl)(Cl)Cl ZINC000022871018 182338638 /nfs/dbraw/zinc/33/86/38/182338638.db2.gz HLZZHRVERPITLD-ZDUSSCGKSA-N 1 0 323.695 4.029 40 0 DIABRO CCc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038833639 183010877 /nfs/dbraw/zinc/01/08/77/183010877.db2.gz XDOJTDOJYPRKJL-IBGZPJMESA-N 1 0 322.452 4.100 40 0 DIABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3C)CC2)cc1 ZINC000039745095 183021853 /nfs/dbraw/zinc/02/18/53/183021853.db2.gz HXXXZRQZFDVLPJ-UHFFFAOYSA-N 1 0 322.452 4.154 40 0 DIABRO CC(C)c1ncc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)cn1 ZINC000057823134 184055183 /nfs/dbraw/zinc/05/51/83/184055183.db2.gz QEYMKMNZBBUSDJ-UHFFFAOYSA-N 1 0 301.821 4.032 40 0 DIABRO COc1ccccc1Nc1cc[nH+]c2cc(OC)c(OC)cc12 ZINC000065005218 184308654 /nfs/dbraw/zinc/30/86/54/184308654.db2.gz PRCFLXHGOUVZNT-UHFFFAOYSA-N 1 0 310.353 4.004 40 0 DIABRO C[N@H+]1CC=C([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000065743350 184378511 /nfs/dbraw/zinc/37/85/11/184378511.db2.gz CAQVAQIJQYJEND-LJQANCHMSA-N 1 0 324.855 4.227 40 0 in-vitro DIABRO Cc1cc([C@H]([NH3+])c2ccccc2)cnc1N(C)c1ccccc1 ZINC000072222312 257123745 /nfs/dbraw/zinc/12/37/45/257123745.db2.gz XITCQCZZTWDLSJ-LJQANCHMSA-N 1 0 303.409 4.206 40 0 DIABRO Cc1nc(N(C)c2ccccc2)ccc1[C@H]([NH3+])c1ccccc1 ZINC000072224393 257123837 /nfs/dbraw/zinc/12/38/37/257123837.db2.gz CJXNSLOSZUMRQG-HXUWFJFHSA-N 1 0 303.409 4.206 40 0 DIABRO CCCC[N@@H+]1CCC[C@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219226 257124316 /nfs/dbraw/zinc/12/43/16/257124316.db2.gz NHKYDWRJVUCWEX-SFHVURJKSA-N 1 0 301.478 4.317 40 0 DIABRO CCCC[N@@H+]1CCC[C@@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219225 257124349 /nfs/dbraw/zinc/12/43/49/257124349.db2.gz NHKYDWRJVUCWEX-GOSISDBHSA-N 1 0 301.478 4.317 40 0 DIABRO Cc1cc([C@@H]2CCC[N@H+]2CC(C)C)cnc1N1CCCCC1 ZINC000072219163 257124367 /nfs/dbraw/zinc/12/43/67/257124367.db2.gz VXJZUISPKOQRPL-SFHVURJKSA-N 1 0 301.478 4.173 40 0 DIABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216126 257124694 /nfs/dbraw/zinc/12/46/94/257124694.db2.gz QHQSVDNWQVMUKM-GOSISDBHSA-N 1 0 301.478 4.399 40 0 DIABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2ccc(N3CCCC3)nc2)cc1 ZINC000072215949 257124737 /nfs/dbraw/zinc/12/47/37/257124737.db2.gz GTWVOMKEKDIKRC-FQEVSTJZSA-N 1 0 321.468 4.409 40 0 DIABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216648 257125191 /nfs/dbraw/zinc/12/51/91/257125191.db2.gz JRBULOBJZDXWEY-SFHVURJKSA-N 1 0 301.478 4.399 40 0 DIABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc(N3CCCC3)nc2)cc1 ZINC000072215948 257125392 /nfs/dbraw/zinc/12/53/92/257125392.db2.gz GTWVOMKEKDIKRC-HXUWFJFHSA-N 1 0 321.468 4.409 40 0 DIABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216660 257125602 /nfs/dbraw/zinc/12/56/02/257125602.db2.gz BVIVSVFVKBXAJL-GOSISDBHSA-N 1 0 301.478 4.399 40 0 DIABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214384 257125839 /nfs/dbraw/zinc/12/58/39/257125839.db2.gz HIZLMJDTWYQTLB-HNNXBMFYSA-N 1 0 319.449 4.366 40 0 DIABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[NH2+]1 ZINC000072215195 257125842 /nfs/dbraw/zinc/12/58/42/257125842.db2.gz UZFOCZRKEFAVNH-UKRRQHHQSA-N 1 0 319.449 4.046 40 0 DIABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214382 257126172 /nfs/dbraw/zinc/12/61/72/257126172.db2.gz FGCXXWVYFFWQKM-HNNXBMFYSA-N 1 0 319.449 4.222 40 0 DIABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214338 257126393 /nfs/dbraw/zinc/12/63/93/257126393.db2.gz SYWXQAFQJAWZAY-OAHLLOKOSA-N 1 0 319.449 4.364 40 0 DIABRO CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[NH2+]1 ZINC000072214931 257126671 /nfs/dbraw/zinc/12/66/71/257126671.db2.gz WZXQEGHZRYHBLE-OAHLLOKOSA-N 1 0 319.449 4.046 40 0 DIABRO CCN(C)c1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072212743 257127227 /nfs/dbraw/zinc/12/72/27/257127227.db2.gz YRULCNPQPIMKLV-LJQANCHMSA-N 1 0 309.457 4.265 40 0 DIABRO CCN(CC)c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072212826 257127471 /nfs/dbraw/zinc/12/74/71/257127471.db2.gz BESZXTKJHZCWMJ-LJQANCHMSA-N 1 0 309.457 4.265 40 0 DIABRO CCCC[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000007261685 333003086 /nfs/dbraw/zinc/00/30/86/333003086.db2.gz RXQRVLCYUKVOSX-UHFFFAOYSA-N 1 0 305.443 4.225 40 0 DIABRO C[C@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)[C@H]1C ZINC000247883613 341370894 /nfs/dbraw/zinc/37/08/94/341370894.db2.gz RYNAYTUYWPFNAP-ZQIUZPCESA-N 1 0 313.445 4.035 40 0 DIABRO CC(C)C[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000006883625 563334686 /nfs/dbraw/zinc/33/46/86/563334686.db2.gz DWCBTIGORXRBAX-UHFFFAOYSA-N 1 0 308.219 4.455 40 0 DIABRO O[C@@H](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc2ccccc2c1 ZINC000001615870 563287858 /nfs/dbraw/zinc/28/78/58/563287858.db2.gz UPUJHZQDODIIMR-FIKGOQFSSA-N 1 0 309.453 4.385 40 0 DIABRO CC[NH+](CC)CCOC(=O)[C@H](c1ccccc1)[C@@H]1C=CCCC1 ZINC000001710810 563292699 /nfs/dbraw/zinc/29/26/99/563292699.db2.gz SGFGQSKEXCCYTI-RTBURBONSA-N 1 0 315.457 4.012 40 0 DIABRO CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000008325957 563346056 /nfs/dbraw/zinc/34/60/56/563346056.db2.gz AVDWPDNVDOHXOE-MRXNPFEDSA-N 1 0 313.441 4.471 40 0 DIABRO COCC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000008469031 563347415 /nfs/dbraw/zinc/34/74/15/563347415.db2.gz ZCAYUFASYAZLIY-UHFFFAOYSA-N 1 0 321.420 4.155 40 0 DIABRO Clc1ccc(C2(C[N@H+](Cc3ccccn3)C3CC3)CC2)cc1 ZINC000012364465 563366988 /nfs/dbraw/zinc/36/69/88/563366988.db2.gz WBGDPJCBSJZLNE-UHFFFAOYSA-N 1 0 312.844 4.431 40 0 DIABRO COc1ccc(C2([NH2+]Cc3ccc4ncccc4c3)CC2)cc1 ZINC000012361883 563367186 /nfs/dbraw/zinc/36/71/86/563367186.db2.gz KPRCMTYUDUMPOV-UHFFFAOYSA-N 1 0 304.393 4.022 40 0 DIABRO O[C@H](c1ccccc1)[C@H]([NH2+]CCc1ccccc1)c1ccccc1 ZINC000031962130 563441186 /nfs/dbraw/zinc/44/11/86/563441186.db2.gz SLMTURVZZPYFOH-FGZHOGPDSA-N 1 0 317.432 4.294 40 0 DIABRO O=C1CCC[C@@H]2[C@H]1[C@@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC000095951713 563531258 /nfs/dbraw/zinc/53/12/58/563531258.db2.gz NVSZUEYKAZDGCT-SFHLNBCPSA-N 1 0 305.421 4.024 40 0 biogenic DIABRO O=C1CCCC[C@H]2[C@H]1[C@@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC000095951706 563531312 /nfs/dbraw/zinc/53/13/12/563531312.db2.gz KRJQERWTNABLPQ-RZUBCFFCSA-N 1 0 319.448 4.414 40 0 biogenic DIABRO CCC(CC)[NH+]1CCC(COc2ccc(C)cc2C)(OC)CC1 ZINC000585281836 563540888 /nfs/dbraw/zinc/54/08/88/563540888.db2.gz BZPAAFURNUUITD-UHFFFAOYSA-N 1 0 319.489 4.352 40 0 DIABRO O=c1oc2ccccc2c(Nc2ccccc2)c1C[NH+]1CCCC1 ZINC000000272743 563584034 /nfs/dbraw/zinc/58/40/34/563584034.db2.gz UKZIIUVGIXOPDF-UHFFFAOYSA-N 1 0 320.392 4.132 40 0 DIABRO C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118925979 563593330 /nfs/dbraw/zinc/59/33/30/563593330.db2.gz VIQFMADXQMGZER-ZVPCKFNKSA-N 1 0 319.533 4.353 40 0 DIABRO Cc1ccc2oc(-c3ccc[n+](Cc4ccc(F)cc4)c3)nc2c1 ZINC000226308297 563605409 /nfs/dbraw/zinc/60/54/09/563605409.db2.gz LFLHNWHUQANNCU-UHFFFAOYSA-N 1 0 319.359 4.278 40 0 DIABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000000568266 563631235 /nfs/dbraw/zinc/63/12/35/563631235.db2.gz YXXKHZNYRBOQPC-UHFFFAOYSA-N 1 0 316.832 4.434 40 0 DIABRO COc1cc(C[NH2+]CC(C)C)ccc1OCc1ccc(C)cc1 ZINC000008550130 563643702 /nfs/dbraw/zinc/64/37/02/563643702.db2.gz BULCKXVXVXYJEM-UHFFFAOYSA-N 1 0 313.441 4.328 40 0 DIABRO O=C(c1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000012481018 563652458 /nfs/dbraw/zinc/65/24/58/563652458.db2.gz XTYHVZOJOZJRJQ-UHFFFAOYSA-N 1 0 313.828 4.435 40 0 DIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(C)cc1Cl ZINC000225001764 563746197 /nfs/dbraw/zinc/74/61/97/563746197.db2.gz JPUNCLGNENVRLV-OAHLLOKOSA-N 1 0 322.880 4.033 40 0 DIABRO CCn1c(C[NH2+]Cc2ccc(OC)cc2)ccc1CC(C)C ZINC000226020448 563767820 /nfs/dbraw/zinc/76/78/20/563767820.db2.gz MTAZPKAAWNVZBF-UHFFFAOYSA-N 1 0 300.446 4.005 40 0 DIABRO CC[C@@H](C)Nc1cc(N2Cc3ccccc3CC2(C)C)nc(C)[nH+]1 ZINC000329033798 563833424 /nfs/dbraw/zinc/83/34/24/563833424.db2.gz QWDSHZLYVASFEU-CQSZACIVSA-N 1 0 324.472 4.337 40 0 DIABRO C[C@@H]1CCCCN1[PH+](c1ccccc1)N1CCCC[C@H]1C ZINC000001737478 563855020 /nfs/dbraw/zinc/85/50/20/563855020.db2.gz IXYQVEWDGLGTQK-IAGOWNOFSA-N 1 0 304.418 4.373 40 0 DIABRO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000000251120 563878661 /nfs/dbraw/zinc/87/86/61/563878661.db2.gz CQUBGBZSMXDPTM-INIZCTEOSA-N 1 0 324.424 4.149 40 0 DIABRO Cc1ccc(C[N@H+]2CC=C(c3nc4ccccc4o3)CC2)cc1 ZINC000226251136 563913288 /nfs/dbraw/zinc/91/32/88/563913288.db2.gz FGCOLLOUEVFJAO-UHFFFAOYSA-N 1 0 304.393 4.426 40 0 DIABRO c1ccc(C([NH2+]Cc2ccc3c(c2)OCO3)c2ccccc2)cc1 ZINC000007780869 563919314 /nfs/dbraw/zinc/91/93/14/563919314.db2.gz HOFSNDOHJBLLRF-UHFFFAOYSA-N 1 0 317.388 4.295 40 0 DIABRO O=[N+]1O[C@H](c2ccccc2)[C@@H](c2ccccc2)C1c1ccccc1 ZINC000001561995 568412265 /nfs/dbraw/zinc/41/22/65/568412265.db2.gz OSAUDCINISZLBG-PZJWPPBQSA-N 1 0 315.372 4.456 40 0 DIABRO CCC[C@H](C)OC(=O)C[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000001569406 568412307 /nfs/dbraw/zinc/41/23/07/568412307.db2.gz RRODMYNEUWOESW-WMZOPIPTSA-N 1 0 303.446 4.336 40 0 DIABRO Cc1ccc(-[n+]2cc(-c3ccccc3)n3c2CCCCC3)cc1 ZINC000002684728 1055976397 /nfs/dbraw/zinc/97/63/97/1055976397.db2.gz XBZUVXMNMAYKOK-UHFFFAOYSA-N 1 0 303.429 4.467 40 0 DIABRO CC[C@H](CO)[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000007524701 1056063970 /nfs/dbraw/zinc/06/39/70/1056063970.db2.gz SCKAFJMISVPZKW-CYBMUJFWSA-N 1 0 314.212 4.114 40 0 DIABRO Cc1ccc(CN(Cc2ccc(C)cc2)C[C@H]2CCC[NH2+]2)cc1 ZINC000079438580 185171598 /nfs/dbraw/zinc/17/15/98/185171598.db2.gz MXEFANNNRNAKGE-OAQYLSRUSA-N 1 0 308.469 4.058 40 0 DIABRO c1ccc2c(c1)cccc2CN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000022580085 190647623 /nfs/dbraw/zinc/64/76/23/190647623.db2.gz PJPDUEXDCPPVHM-LRXVAGHRSA-N 1 0 320.480 4.146 40 0 DIABRO Cc1cccc(C[N@@H+]2CC[C@@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000072369824 191139219 /nfs/dbraw/zinc/13/92/19/191139219.db2.gz DFHAPSPYMYCGNI-GOSISDBHSA-N 1 0 319.408 4.035 40 0 DIABRO CC[NH+](CC)CCCCCCNc1cc(O)cc2cccnc21 ZINC000001599089 180877988 /nfs/dbraw/zinc/87/79/88/180877988.db2.gz WEMFASDTBHZGPV-UHFFFAOYSA-N 1 0 315.461 4.255 40 0 DIABRO O[C@@H](c1cc(C2CCCCC2)nc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000001729644 180893058 /nfs/dbraw/zinc/89/30/58/180893058.db2.gz TXNJKGIJVCAFQP-FPOVZHCZSA-N 1 0 324.468 4.458 40 0 DIABRO COc1cc(C=CC2=[N+](C)c3ccccc3C2(C)C)ccc1O ZINC000004416708 181108301 /nfs/dbraw/zinc/10/83/01/181108301.db2.gz BUUVCGWGBDEKHA-UHFFFAOYSA-O 1 0 308.401 4.120 40 0 DIABRO CCCCN(C(=O)/C=C/c1ccccc1)C1=C[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000005019613 181191894 /nfs/dbraw/zinc/19/18/94/181191894.db2.gz JIKAVSKPMLXRKC-HEBLUMGWSA-N 1 0 324.468 4.079 40 0 DIABRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CC(=O)c1ccccc1 ZINC000005187339 181215048 /nfs/dbraw/zinc/21/50/48/181215048.db2.gz NTDITIGBWSJJEV-QGZVFWFLSA-N 1 0 307.437 4.486 40 0 DIABRO Cc1csc(-c2cc([C@H]3CCCC[N@H+]3C(C)C)nc(C)n2)n1 ZINC000257282315 203010475 /nfs/dbraw/zinc/01/04/75/203010475.db2.gz OTGKYQIAXSEPKD-MRXNPFEDSA-N 1 0 316.474 4.152 40 0 DIABRO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]C2CC2)cc1 ZINC000016401759 182043901 /nfs/dbraw/zinc/04/39/01/182043901.db2.gz AMAHFEBBIHFCBZ-UHFFFAOYSA-N 1 0 305.780 4.310 40 0 DIABRO CC(C)(C)c1noc([C@H]2CC[N@H+](Cc3ccccc3Cl)C2)n1 ZINC000019084649 182104716 /nfs/dbraw/zinc/10/47/16/182104716.db2.gz UFJKMROZPHQMIK-ZDUSSCGKSA-N 1 0 319.836 4.010 40 0 DIABRO Clc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]C[C@@H]2CCOC2)cc1 ZINC000019336270 182116644 /nfs/dbraw/zinc/11/66/44/182116644.db2.gz PEGLNXLVCZXCRE-LRMKFPBYSA-N 1 0 319.876 4.238 40 0 DIABRO Fc1ccccc1C[N@@H+]1CCC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000019349019 182117880 /nfs/dbraw/zinc/11/78/80/182117880.db2.gz ZLEOOIZNIZLEQH-INIZCTEOSA-N 1 0 309.388 4.082 40 0 DIABRO [NH3+][C@H](c1ccccc1)[C@@H]1[C@H](c2ccccc2)N1C1CCCCC1 ZINC000019365771 182118777 /nfs/dbraw/zinc/11/87/77/182118777.db2.gz QHUYQHXMNCGJAS-MMHMDJKXSA-N 1 0 306.453 4.445 40 0 DIABRO COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2cccnc2)cc1 ZINC000019557598 182129835 /nfs/dbraw/zinc/12/98/35/182129835.db2.gz NMNHVLOJRAIBPU-ANULTFPQSA-N 1 0 322.452 4.152 40 0 DIABRO C[C@@H]1C[C@@H](C)C[NH+](Cc2c3ncccc3[nH]c2-c2cccnc2)C1 ZINC000019717988 182137472 /nfs/dbraw/zinc/13/74/72/182137472.db2.gz SOOJUBAOVLBMML-HUUCEWRRSA-N 1 0 320.440 4.103 40 0 DIABRO CCOc1ccc(Cl)cc1C[NH2+]CCc1ccc(OC)cc1 ZINC000022074615 182307908 /nfs/dbraw/zinc/30/79/08/182307908.db2.gz LWPBNKXWMGGVMM-UHFFFAOYSA-N 1 0 319.832 4.080 40 0 DIABRO Cc1cccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000038833259 183010999 /nfs/dbraw/zinc/01/09/99/183010999.db2.gz MYIBXJLOBUAZST-QGZVFWFLSA-N 1 0 322.452 4.479 40 0 DIABRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1C ZINC000038835171 183011579 /nfs/dbraw/zinc/01/15/79/183011579.db2.gz ASNPWLLFRKXZOX-IBGZPJMESA-N 1 0 322.452 4.154 40 0 DIABRO CC[NH2+]Cc1cc(Cl)c(OCc2cccs2)c(OC)c1 ZINC000008227195 256522855 /nfs/dbraw/zinc/52/28/55/256522855.db2.gz ANOHALAMVQWJMM-UHFFFAOYSA-N 1 0 311.834 4.099 40 0 DIABRO Cc1cc(N2CCCCC2)ncc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072219240 257124305 /nfs/dbraw/zinc/12/43/05/257124305.db2.gz NHHDBMBUGRQQRB-SFHVURJKSA-N 1 0 301.478 4.316 40 0 DIABRO Cc1nc(N2CCCCC2)ccc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072219301 257124467 /nfs/dbraw/zinc/12/44/67/257124467.db2.gz PIAYGVBUVGGYOJ-GOSISDBHSA-N 1 0 301.478 4.316 40 0 DIABRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cnc1N1CCCC1 ZINC000072218789 257124546 /nfs/dbraw/zinc/12/45/46/257124546.db2.gz YPUPGRWSEBXAJS-FQEVSTJZSA-N 1 0 321.468 4.327 40 0 DIABRO Cc1cc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cnc1N(C)C ZINC000072218647 257125045 /nfs/dbraw/zinc/12/50/45/257125045.db2.gz TUWXORDSYQVNFW-LJQANCHMSA-N 1 0 309.457 4.183 40 0 DIABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216707 257125102 /nfs/dbraw/zinc/12/51/02/257125102.db2.gz XDWSHOUFWJHGDI-GOSISDBHSA-N 1 0 301.478 4.399 40 0 DIABRO c1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2N2CCCC2)cc1 ZINC000072215972 257125105 /nfs/dbraw/zinc/12/51/05/257125105.db2.gz XADLMMXPZFBVHA-IBGZPJMESA-N 1 0 307.441 4.019 40 0 DIABRO c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(N3CCCCC3)nc2)cc1 ZINC000072216032 257125157 /nfs/dbraw/zinc/12/51/57/257125157.db2.gz XRFFUUNCGQGQEM-FQEVSTJZSA-N 1 0 321.468 4.409 40 0 DIABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216661 257125183 /nfs/dbraw/zinc/12/51/83/257125183.db2.gz BVIVSVFVKBXAJL-SFHVURJKSA-N 1 0 301.478 4.399 40 0 DIABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216067 257125351 /nfs/dbraw/zinc/12/53/51/257125351.db2.gz OOEWFAJUYVNFQO-SFHVURJKSA-N 1 0 301.478 4.399 40 0 DIABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216663 257125637 /nfs/dbraw/zinc/12/56/37/257125637.db2.gz BBQZKWDVLNILBK-SFHVURJKSA-N 1 0 301.478 4.397 40 0 DIABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216125 257125681 /nfs/dbraw/zinc/12/56/81/257125681.db2.gz SSJUQJGJGIFECR-SFHVURJKSA-N 1 0 301.478 4.255 40 0 DIABRO c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(NC3CCC3)nc2)cc1 ZINC000072213828 257126019 /nfs/dbraw/zinc/12/60/19/257126019.db2.gz JQPQSDYOYABOCB-IBGZPJMESA-N 1 0 307.441 4.383 40 0 DIABRO CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[NH2+]2)cn1 ZINC000072214871 257126169 /nfs/dbraw/zinc/12/61/69/257126169.db2.gz KRQCRXJQUVJVBG-OAHLLOKOSA-N 1 0 319.449 4.046 40 0 DIABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212022 257126983 /nfs/dbraw/zinc/12/69/83/257126983.db2.gz IIFRNFPXBLFDHX-LJQANCHMSA-N 1 0 310.441 4.454 40 0 DIABRO O=C1CCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC000253615999 257104893 /nfs/dbraw/zinc/10/48/93/257104893.db2.gz KRJQERWTNABLPQ-VWPQPMDRSA-N 1 0 319.448 4.414 40 0 DIABRO Clc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]C[C@H]2CCOC2)cc1 ZINC000257284779 331958021 /nfs/dbraw/zinc/95/80/21/331958021.db2.gz PEGLNXLVCZXCRE-HBRVENNYSA-N 1 0 319.876 4.238 40 0 DIABRO CCCCC[NH2+]Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000007261321 333002992 /nfs/dbraw/zinc/00/29/92/333002992.db2.gz DVZDMICZSJKMML-UHFFFAOYSA-N 1 0 301.386 4.013 40 0 DIABRO CC[n+]1cccc(-c2nc3ccc(Br)cc3s2)c1 ZINC000226776738 563605362 /nfs/dbraw/zinc/60/53/62/563605362.db2.gz REKVQZUPMAKFFS-UHFFFAOYSA-N 1 0 320.235 4.033 40 0 DIABRO CC[NH+](CC)CCC[C@H](C)Nc1ncnc2cc(Cl)ccc21 ZINC000001592006 563286974 /nfs/dbraw/zinc/28/69/74/563286974.db2.gz UMLPLQQZFGHPNF-ZDUSSCGKSA-N 1 0 320.868 4.206 40 0 DIABRO c1ccc(C[NH2+]Cc2ccc(C[NH2+]Cc3ccccc3)cc2)cc1 ZINC000001620958 563288216 /nfs/dbraw/zinc/28/82/16/563288216.db2.gz PSMQNQWPTFFHIR-UHFFFAOYSA-N 1 0 316.448 4.266 40 0 DIABRO C[N@H+](Cc1ccccc1)Cc1ccccc1[C@@H](O)c1ccccc1 ZINC000001632677 563288633 /nfs/dbraw/zinc/28/86/33/563288633.db2.gz LCBITDWMTQEONN-QFIPXVFZSA-N 1 0 317.432 4.400 40 0 DIABRO COc1cc2cccnc2c(NCC[N@H+](CC(C)C)C(C)C)c1 ZINC000001687272 563291328 /nfs/dbraw/zinc/29/13/28/563291328.db2.gz LFYKYSGZGFXCHB-UHFFFAOYSA-N 1 0 315.461 4.022 40 0 DIABRO Cc1cc2ccccc2[n+](C)c1-c1ccccc1Br ZINC000001701887 563292085 /nfs/dbraw/zinc/29/20/85/563292085.db2.gz FMLBDGLTBVVPFX-UHFFFAOYSA-N 1 0 313.218 4.402 40 0 DIABRO CC(=O)OC1C[C@@H](c2ccccc2)[NH+](C)[C@H](c2ccccc2)C1 ZINC000001719800 563293149 /nfs/dbraw/zinc/29/31/49/563293149.db2.gz OBNUWEBINMHPGX-PMACEKPBSA-N 1 0 309.409 4.126 40 0 DIABRO CC[NH+](CC)CCOC(=O)[C@@]1(C2CCCCC2)CC=CCC1 ZINC000001719284 563293162 /nfs/dbraw/zinc/29/31/62/563293162.db2.gz FXXLEWYHZLZWQG-IBGZPJMESA-N 1 0 307.478 4.178 40 0 DIABRO CCCCCC[C@@H](C)[N@H+](CC)CCOC(=O)c1ccc(N)cc1 ZINC000001995944 563297720 /nfs/dbraw/zinc/29/77/20/563297720.db2.gz QBMIRMQLZIGNEJ-MRXNPFEDSA-N 1 0 320.477 4.106 40 0 DIABRO CCOc1c(C[NH2+]C2C3CC4CC(C3)CC2C4)cccc1OC ZINC000008253456 563345516 /nfs/dbraw/zinc/34/55/16/563345516.db2.gz ILLRWLXPFRQGMP-UHFFFAOYSA-N 1 0 315.457 4.008 40 0 DIABRO COc1ccc2[nH]cc([C@H]3CC[N@H+](Cc4cccc(F)c4)C3)c2c1 ZINC000012329470 563366386 /nfs/dbraw/zinc/36/63/86/563366386.db2.gz UDDHOCQMIMZSLV-HNNXBMFYSA-N 1 0 324.399 4.305 40 0 DIABRO c1csc(-c2cc3cccn(CC[NH+]4CCCCC4)c-3n2)c1 ZINC000012669734 563372717 /nfs/dbraw/zinc/37/27/17/563372717.db2.gz FVHYVWKVQKACNR-UHFFFAOYSA-N 1 0 311.454 4.202 40 0 DIABRO O[C@H](c1ccccc1)[C@@H]([NH2+]CCc1ccccc1)c1ccccc1 ZINC000031962123 563441421 /nfs/dbraw/zinc/44/14/21/563441421.db2.gz SLMTURVZZPYFOH-FCHUYYIVSA-N 1 0 317.432 4.294 40 0 DIABRO C[N@@H+]1CCC[C@@H]1CCOc1cc(F)ccc1Oc1ccccc1 ZINC000585266208 563536950 /nfs/dbraw/zinc/53/69/50/563536950.db2.gz KSWWHNZKVUBNMV-MRXNPFEDSA-N 1 0 315.388 4.481 40 0 DIABRO C[NH+](C)CCOc1cccc(F)c1Oc1ccc(Cl)cc1 ZINC000585265645 563537156 /nfs/dbraw/zinc/53/71/56/563537156.db2.gz WFXIOALQYSXKPZ-UHFFFAOYSA-N 1 0 309.768 4.212 40 0 DIABRO COc1ccc(OC)c(Nc2cc(C)[nH+]c3ccc(OC)cc23)c1 ZINC000000303360 563607516 /nfs/dbraw/zinc/60/75/16/563607516.db2.gz TUQFIUDZLRGLLL-UHFFFAOYSA-N 1 0 324.380 4.313 40 0 DIABRO COc1cc(-c2nc3ccccn3c2NC2CCCC2)ccc1O ZINC000000417882 563608948 /nfs/dbraw/zinc/60/89/48/563608948.db2.gz YCWFFAFEDFINSN-UHFFFAOYSA-N 1 0 323.396 4.070 40 0 DIABRO CC[NH+](CC)CCC[C@@H](C)Nc1nncc2cc(Cl)ccc21 ZINC000031637658 563611662 /nfs/dbraw/zinc/61/16/62/563611662.db2.gz KGBVJBKYFNURLO-CYBMUJFWSA-N 1 0 320.868 4.206 40 0 DIABRO Cn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccc(F)cc1F ZINC000000819106 563614711 /nfs/dbraw/zinc/61/47/11/563614711.db2.gz RXHGKLGHSLKWFK-UHFFFAOYSA-N 1 0 317.314 4.117 40 0 DIABRO O=C(NC1CCCCCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010313839 563648547 /nfs/dbraw/zinc/64/85/47/563648547.db2.gz LPGKRQPUBAAHPE-UHFFFAOYSA-N 1 0 314.473 4.125 40 0 DIABRO c1cc(CN2CCCC[C@@H]2c2ncn3ccsc23)cs1 ZINC000257247594 563791730 /nfs/dbraw/zinc/79/17/30/563791730.db2.gz IZPQJYVBJJBHFT-CYBMUJFWSA-N 1 0 303.456 4.185 40 0 DIABRO CC[C@@H](C)Nc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C)[nH+]1 ZINC000329044257 563833705 /nfs/dbraw/zinc/83/37/05/563833705.db2.gz SVTBXYWRCHGNBL-CQSZACIVSA-N 1 0 324.472 4.293 40 0 DIABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nc4cc(C)ccc4[nH]3)C2)cc1 ZINC000035446572 563867181 /nfs/dbraw/zinc/86/71/81/563867181.db2.gz ONQXLFYHRWSFPY-KRWDZBQOSA-N 1 0 305.425 4.169 40 0 biogenic,in-vitro DIABRO Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000034053058 563878036 /nfs/dbraw/zinc/87/80/36/563878036.db2.gz YHGHRIAZABSSGB-DFNIBXOVSA-N 1 0 324.472 4.078 40 0 DIABRO Cc1ccc(C[N@H+]2CC=C(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000226251151 563913442 /nfs/dbraw/zinc/91/34/42/563913442.db2.gz HUKKPKGYPGLUIW-UHFFFAOYSA-N 1 0 303.409 4.161 40 0 DIABRO C[C@@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1Cl ZINC000012342198 563920973 /nfs/dbraw/zinc/92/09/73/563920973.db2.gz UZHMQBMKYWOFAJ-IHRRRGAJSA-N 1 0 309.837 4.148 40 0 DIABRO C[C@@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccc(Cl)cc1 ZINC000013136928 563921005 /nfs/dbraw/zinc/92/10/05/563921005.db2.gz GBAHPMMVENBPNR-IHRRRGAJSA-N 1 0 309.837 4.148 40 0 DIABRO O=C1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC001547139779 1058238313 /nfs/dbraw/zinc/23/83/13/1058238313.db2.gz KRJQERWTNABLPQ-ONTIZHBOSA-N 1 0 319.448 4.414 40 0 DIABRO Cc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH3+])C=C3C)nc2c1 ZINC000072320854 191121005 /nfs/dbraw/zinc/12/10/05/191121005.db2.gz UGZMKUFYWNXYAY-ULQDDVLXSA-N 1 0 311.473 4.227 40 0 biogenic,in-vitro DIABRO FC(F)(F)c1cccc(-c2cccc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000072348392 191127640 /nfs/dbraw/zinc/12/76/40/191127640.db2.gz LSTAQZDIWJPKQC-ZDUSSCGKSA-N 1 0 306.331 4.234 40 0 DIABRO FC(F)(F)c1ccc(Cc2cccc([C@H]3CCC[NH2+]3)n2)cc1 ZINC000072356433 191130918 /nfs/dbraw/zinc/13/09/18/191130918.db2.gz YVDGEZSSHSPLMF-OAHLLOKOSA-N 1 0 306.331 4.116 40 0 DIABRO CC(C)(C)C[N@@H+]1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000072375165 191139168 /nfs/dbraw/zinc/13/91/68/191139168.db2.gz UAVZLYLQFSRSDA-CQSZACIVSA-N 1 0 316.474 4.465 40 0 DIABRO CC[NH+](CC)CCN(C(=O)Oc1ccccc1)c1ccccc1 ZINC000001598106 180877115 /nfs/dbraw/zinc/87/71/15/180877115.db2.gz CSQOOURBIGCYKG-UHFFFAOYSA-N 1 0 312.413 4.034 40 0 DIABRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@]1(OC(=O)c1ccccc1)c1ccccc1 ZINC000004011835 181062287 /nfs/dbraw/zinc/06/22/87/181062287.db2.gz ADUJECNUNSENPU-WWMYMODYSA-N 1 0 323.436 4.099 40 0 DIABRO C[N@@H+]1CC[C@H](O[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000004744324 181146210 /nfs/dbraw/zinc/14/62/10/181146210.db2.gz CMARNPIDSNAMJM-ROUUACIJSA-N 1 0 301.817 4.150 40 0 in-man DIABRO CCC[C@@H](O)[C@@H](CC)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000004777499 181151281 /nfs/dbraw/zinc/15/12/81/181151281.db2.gz WCMLBOIVUKMLBK-QHAWAJNXSA-N 1 0 311.469 4.500 40 0 DIABRO C[n+]1ccc(/C=C\c2ccnc3c(O)cccc23)c2ccccc21 ZINC000004830540 181158538 /nfs/dbraw/zinc/15/85/38/181158538.db2.gz BMRAQNLODAALCM-UHFFFAOYSA-O 1 0 313.380 4.089 40 0 DIABRO O=C(c1ccccc1)[C@H]1C[N@@H+](C2CCCC2)[C@H]1c1ccccc1 ZINC000005412049 181240323 /nfs/dbraw/zinc/24/03/23/181240323.db2.gz DYOADTOJACZXAL-PMACEKPBSA-N 1 0 305.421 4.485 40 0 DIABRO C[N@H+](Cc1ccccc1)Cc1ccccc1[C@H](O)c1ccccc1 ZINC000005599790 181262516 /nfs/dbraw/zinc/26/25/16/181262516.db2.gz LCBITDWMTQEONN-JOCHJYFZSA-N 1 0 317.432 4.400 40 0 DIABRO Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000005969036 181302244 /nfs/dbraw/zinc/30/22/44/181302244.db2.gz CHFJILYUTKEVBT-UHFFFAOYSA-N 1 0 308.425 4.152 40 0 DIABRO CC[C@H](C)c1ccccc1OC[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000006356057 181333785 /nfs/dbraw/zinc/33/37/85/181333785.db2.gz ZOHVSEXZWRMRLF-WNRNVDISSA-N 1 0 319.489 4.203 40 0 DIABRO CC[C@@H](OC[C@@H](O)C[N@H+](CC)C1CCCCC1)c1ccccc1 ZINC000006356111 181333789 /nfs/dbraw/zinc/33/37/89/181333789.db2.gz DWZLRCJCECLENB-VQTJNVASSA-N 1 0 319.489 4.170 40 0 DIABRO CC[C@@H](OC[C@H](O)C[N@H+](CC)C1CCCCC1)c1ccccc1 ZINC000006356103 181333840 /nfs/dbraw/zinc/33/38/40/181333840.db2.gz DWZLRCJCECLENB-WOJBJXKFSA-N 1 0 319.489 4.170 40 0 DIABRO CC(C)C[N@@H+]1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1 ZINC000257276965 203006502 /nfs/dbraw/zinc/00/65/02/203006502.db2.gz NVXDFXCKJJEGTD-INIZCTEOSA-N 1 0 316.420 4.240 40 0 DIABRO Cc1cnc(-c2ccc(CC3CC[NH+](C(C)C)CC3)cn2)s1 ZINC000257289484 203014788 /nfs/dbraw/zinc/01/47/88/203014788.db2.gz PYVMLLQKDMLBKD-UHFFFAOYSA-N 1 0 315.486 4.176 40 0 DIABRO CCOc1cccc(C[NH2+]CC(C)C)c1OCc1ccccc1 ZINC000008325501 181547896 /nfs/dbraw/zinc/54/78/96/181547896.db2.gz RRGDEEFFMFKMTG-UHFFFAOYSA-N 1 0 313.441 4.410 40 0 DIABRO CC[C@H](C)[NH2+]Cc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000008326718 181548863 /nfs/dbraw/zinc/54/88/63/181548863.db2.gz MKZOZFRNCFMONH-INIZCTEOSA-N 1 0 313.441 4.471 40 0 DIABRO Fc1ccc2[nH]cc(CC[NH2+]Cc3cccc4[nH]ccc43)c2c1 ZINC000015423532 182001187 /nfs/dbraw/zinc/00/11/87/182001187.db2.gz RMHOSFGSOHRWJP-UHFFFAOYSA-N 1 0 307.372 4.121 40 0 DIABRO CC(C)(C)c1noc([C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000019084615 182104632 /nfs/dbraw/zinc/10/46/32/182104632.db2.gz PEYDFLMHRZDTCA-ZDUSSCGKSA-N 1 0 319.836 4.010 40 0 DIABRO CC(C)(C)c1noc([C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)n1 ZINC000019084647 182104837 /nfs/dbraw/zinc/10/48/37/182104837.db2.gz UFJKMROZPHQMIK-CYBMUJFWSA-N 1 0 319.836 4.010 40 0 DIABRO CC(C)(C)c1n[nH]cc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2[C@H]1c1ccccc1 ZINC000019083508 182104849 /nfs/dbraw/zinc/10/48/49/182104849.db2.gz DWSNZJJRBMJQGC-WJFTUGDTSA-N 1 0 323.484 4.379 40 0 DIABRO Cc1cc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2Cc2ccccc2)on1 ZINC000019120950 182105071 /nfs/dbraw/zinc/10/50/71/182105071.db2.gz WZKKUPJYCSUBQU-KRWDZBQOSA-N 1 0 322.412 4.100 40 0 DIABRO CC(C)[NH2+]CC(C)(C)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000019365960 182118434 /nfs/dbraw/zinc/11/84/34/182118434.db2.gz ZLCYZVOOTXAXCK-FQEVSTJZSA-N 1 0 310.485 4.337 40 0 DIABRO CN1CCC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000019366065 182118842 /nfs/dbraw/zinc/11/88/42/182118842.db2.gz ATBWRPNTOXXOBL-MOPGFXCFSA-N 1 0 314.860 4.113 40 0 DIABRO c1cc(-c2cc(Nc3ccccc3)nc([C@H]3CC[NH2+]C3)n2)cs1 ZINC000019373341 182121126 /nfs/dbraw/zinc/12/11/26/182121126.db2.gz WZGGPXZXHJYRGO-ZDUSSCGKSA-N 1 0 322.437 4.026 40 0 DIABRO CC[NH+](CC)Cc1c2cccnc2[nH]c1-c1ccc(OC)cc1 ZINC000019526442 182128256 /nfs/dbraw/zinc/12/82/56/182128256.db2.gz TUQFQXOTOHWEAW-UHFFFAOYSA-N 1 0 309.413 4.080 40 0 DIABRO CCn1ncc(C[N@@H+]2C[C@@H](c3ccccc3)C3(CCCC3)C2)c1C ZINC000019523922 182128624 /nfs/dbraw/zinc/12/86/24/182128624.db2.gz UXBMIMQTOMEVBN-FQEVSTJZSA-N 1 0 323.484 4.371 40 0 DIABRO COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2cccnc2)cc1 ZINC000019557604 182130128 /nfs/dbraw/zinc/13/01/28/182130128.db2.gz NMNHVLOJRAIBPU-CGXNFDGLSA-N 1 0 322.452 4.152 40 0 DIABRO C[C@H]1C[C@H](C)C[NH+](Cc2c3ncccc3[nH]c2-c2cccnc2)C1 ZINC000019717990 182137334 /nfs/dbraw/zinc/13/73/34/182137334.db2.gz SOOJUBAOVLBMML-GJZGRUSLSA-N 1 0 320.440 4.103 40 0 DIABRO CC[NH+](CC)C[C@H]1c2ccccc2[C@@H](CNc2ccccc2)N1C ZINC000022858996 182338119 /nfs/dbraw/zinc/33/81/19/182338119.db2.gz BFTKLTXWDUKHIE-RTWAWAEBSA-N 1 0 323.484 4.168 40 0 DIABRO CCc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038833638 183011165 /nfs/dbraw/zinc/01/11/65/183011165.db2.gz XDOJTDOJYPRKJL-LJQANCHMSA-N 1 0 322.452 4.100 40 0 DIABRO Cc1cc([C@H]([NH3+])c2ccccc2)cnc1OCc1ccccc1 ZINC000072222393 257123097 /nfs/dbraw/zinc/12/30/97/257123097.db2.gz AACYJVSZMVLGCU-LJQANCHMSA-N 1 0 304.393 4.017 40 0 DIABRO CCCC[N@@H+]1CCCC[C@H]1c1cnc(N2CCCC2)cc1C ZINC000072218885 257123920 /nfs/dbraw/zinc/12/39/20/257123920.db2.gz WJONPTQEMHPACE-SFHVURJKSA-N 1 0 301.478 4.317 40 0 DIABRO Cc1nc(N2CCCC2)ccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072218909 257123987 /nfs/dbraw/zinc/12/39/87/257123987.db2.gz UFAPISWVNBPNBB-FQEVSTJZSA-N 1 0 321.468 4.327 40 0 DIABRO Cc1nc(N2CCCCC2)ccc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072219300 257124183 /nfs/dbraw/zinc/12/41/83/257124183.db2.gz PIAYGVBUVGGYOJ-SFHVURJKSA-N 1 0 301.478 4.316 40 0 DIABRO Cc1cc([C@@H]2CCCC[N@H+]2C(C)C)cnc1N1CCCCC1 ZINC000072219180 257124204 /nfs/dbraw/zinc/12/42/04/257124204.db2.gz DMFYMBVLHYTBMO-SFHVURJKSA-N 1 0 301.478 4.316 40 0 DIABRO CCCC[N@@H+]1CCCC[C@@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218824 257124342 /nfs/dbraw/zinc/12/43/42/257124342.db2.gz GKUPEHDCTKWABG-GOSISDBHSA-N 1 0 301.478 4.317 40 0 DIABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216720 257125569 /nfs/dbraw/zinc/12/55/69/257125569.db2.gz WNLURJNNFYTTSL-GOSISDBHSA-N 1 0 301.478 4.399 40 0 DIABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214323 257126065 /nfs/dbraw/zinc/12/60/65/257126065.db2.gz YJHDZVGZRJEOCJ-OAHLLOKOSA-N 1 0 319.449 4.366 40 0 DIABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2NC2CC2)cc1 ZINC000072213744 257126533 /nfs/dbraw/zinc/12/65/33/257126533.db2.gz ABIDYRCQQLPPFL-LJQANCHMSA-N 1 0 307.441 4.383 40 0 DIABRO c1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2NC2CCC2)cc1 ZINC000072213888 257126631 /nfs/dbraw/zinc/12/66/31/257126631.db2.gz MSMNZPZMBAFRQQ-IBGZPJMESA-N 1 0 307.441 4.383 40 0 DIABRO CC[NH+]1CCC2(CC1)O[C@@H](c1ccccc1)[C@H](c1ccccc1)O2 ZINC000001577622 257231300 /nfs/dbraw/zinc/23/13/00/257231300.db2.gz HNPJXEXYTWKYEH-PMACEKPBSA-N 1 0 323.436 4.328 40 0 DIABRO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC[C@@]2(O)C[NH3+] ZINC000122079268 195398612 /nfs/dbraw/zinc/39/86/12/195398612.db2.gz SNWGRADGFKNELG-IJMQKCTASA-N 1 0 305.506 4.109 40 0 DIABRO Clc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]C[C@H]2CCOC2)cc1 ZINC000257284780 331957866 /nfs/dbraw/zinc/95/78/66/331957866.db2.gz PEGLNXLVCZXCRE-UVMNYOIOSA-N 1 0 319.876 4.238 40 0 DIABRO CCCCC[NH2+]Cc1ccc(-c2ccc(C(=O)OCC)cc2)o1 ZINC000007261322 333002836 /nfs/dbraw/zinc/00/28/36/333002836.db2.gz ZSTMDMXOUJUJEI-UHFFFAOYSA-N 1 0 315.413 4.403 40 0 DIABRO COc1ccc(CC[NH2+]Cc2ccc(Cl)cc2Cl)cc1 ZINC000020006545 563678439 /nfs/dbraw/zinc/67/84/39/563678439.db2.gz AEPGHTBUTDBPBM-UHFFFAOYSA-N 1 0 310.224 4.334 40 0 DIABRO Clc1cccc(C[N@@H+]2CC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000049168853 560084799 /nfs/dbraw/zinc/08/47/99/560084799.db2.gz WMBLAXOKZFMHGA-AWEZNQCLSA-N 1 0 312.800 4.471 40 0 biogenic,in-vitro DIABRO C[NH+](C)[C@H]1C[C@](c2cccs2)(C2CCCCC2)CCC1=O ZINC000001577544 563285627 /nfs/dbraw/zinc/28/56/27/563285627.db2.gz KGFHLVDDNFZNTD-YJBOKZPZSA-N 1 0 305.487 4.249 40 0 DIABRO CC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(OCC[NH3+])cc1 ZINC000001591272 563287055 /nfs/dbraw/zinc/28/70/55/563287055.db2.gz OPCKIVCLTXGHRZ-PMACEKPBSA-N 1 0 313.441 4.417 40 0 DIABRO CCC[N@H+](CCNc1cc(OC)cc2cccnc21)[C@H](C)CC ZINC000001656141 563289238 /nfs/dbraw/zinc/28/92/38/563289238.db2.gz RCVJKZIMWUDHPW-OAHLLOKOSA-N 1 0 315.461 4.166 40 0 DIABRO CCCCC(CCCC)[NH2+][C@H](C)COC(=O)c1ccc(N)cc1 ZINC000001709191 563292528 /nfs/dbraw/zinc/29/25/28/563292528.db2.gz RDCLDFKWBAJYMF-OAHLLOKOSA-N 1 0 320.477 4.153 40 0 DIABRO O=C(CC[NH+]1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000001747996 563294743 /nfs/dbraw/zinc/29/47/43/563294743.db2.gz FCFBSTQJUHPEID-UHFFFAOYSA-N 1 0 307.437 4.264 40 0 DIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000007016200 563335873 /nfs/dbraw/zinc/33/58/73/563335873.db2.gz GTHTWTQDRSQZOE-MRXNPFEDSA-N 1 0 308.425 4.171 40 0 DIABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000007016444 563335997 /nfs/dbraw/zinc/33/59/97/563335997.db2.gz NUYGIPRWYYLSJV-UHFFFAOYSA-N 1 0 308.425 4.171 40 0 DIABRO CCCC[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000007261674 563337242 /nfs/dbraw/zinc/33/72/42/563337242.db2.gz GCVABBIWTXGDQK-UHFFFAOYSA-N 1 0 313.441 4.472 40 0 DIABRO CCCC[NH2+]Cc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000007261684 563337393 /nfs/dbraw/zinc/33/73/93/563337393.db2.gz SIDUUPLRKPGVBN-UHFFFAOYSA-N 1 0 317.404 4.303 40 0 DIABRO CCOc1cc(C[NH2+]CC(C)C)ccc1OCc1ccccc1 ZINC000008254617 563345189 /nfs/dbraw/zinc/34/51/89/563345189.db2.gz BOYLMWUIDGOSLM-UHFFFAOYSA-N 1 0 313.441 4.410 40 0 DIABRO CC[C@H](C)[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000008326778 563345733 /nfs/dbraw/zinc/34/57/33/563345733.db2.gz LHFSZGIZFVMGJY-AWEZNQCLSA-N 1 0 317.404 4.301 40 0 DIABRO CCOC[C@@H]1c2ccccc2CC[N@H+]1Cc1c[nH]c2ccccc12 ZINC000031669938 563440382 /nfs/dbraw/zinc/44/03/82/563440382.db2.gz YQTCYADVPQXATE-OAQYLSRUSA-N 1 0 320.436 4.304 40 0 DIABRO CCCC[N@@H+]1CCC[C@]2(CCC(=O)N2CC2CCCCC2)CC1 ZINC000585100239 563516946 /nfs/dbraw/zinc/51/69/46/563516946.db2.gz ISOAZBDCRREOMM-FQEVSTJZSA-N 1 0 320.521 4.214 40 0 DIABRO C[C@H]([NH2+][C@@H]1CCCC[C@]1(O)C#Cc1ccccc1)c1ccccc1 ZINC000095951409 563531415 /nfs/dbraw/zinc/53/14/15/563531415.db2.gz AARQIPNIUYKDTQ-BWAGFHJFSA-N 1 0 319.448 4.063 40 0 DIABRO c1nc(Nc2cccc([C@H]3CCC[NH2+]3)n2)sc1-c1ccccc1 ZINC000585262933 563536977 /nfs/dbraw/zinc/53/69/77/563536977.db2.gz FFGPJPLEZWCRMH-CQSZACIVSA-N 1 0 322.437 4.373 40 0 DIABRO CC1=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=CC1=[NH2+] ZINC000100089805 563545836 /nfs/dbraw/zinc/54/58/36/563545836.db2.gz YDCMWLQSPFTWCS-UHFFFAOYSA-N 1 0 301.393 4.189 40 0 DIABRO CCCCC[C@H](C[NH+](C)C)[C@H](O)/C=C\c1ccccc1Cl ZINC000104143271 563562380 /nfs/dbraw/zinc/56/23/80/563562380.db2.gz JWECFDHHHFPOGP-VKJYAMAFSA-N 1 0 309.881 4.472 40 0 DIABRO Fc1ccc(C[n+]2cccc(-c3nc4ccccc4s3)c2)cc1 ZINC000226308343 563605080 /nfs/dbraw/zinc/60/50/80/563605080.db2.gz QMVWIYDOLPQITM-UHFFFAOYSA-N 1 0 321.400 4.438 40 0 DIABRO Cc1cc(C)c(NC(=O)Cn2cnc3cc(C)c(C)cc32)c(C)c1 ZINC000000420268 563608968 /nfs/dbraw/zinc/60/89/68/563608968.db2.gz WLHLLBIXHDIJTL-UHFFFAOYSA-N 1 0 321.424 4.217 40 0 DIABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000000568248 563631180 /nfs/dbraw/zinc/63/11/80/563631180.db2.gz OGXYTHFMLIJLRF-UHFFFAOYSA-N 1 0 310.441 4.398 40 0 DIABRO COc1cc(C[NH2+]C(C)(C)C)ccc1OCCc1ccccc1 ZINC000006882536 563638955 /nfs/dbraw/zinc/63/89/55/563638955.db2.gz JKTDODFXDMJYRP-UHFFFAOYSA-N 1 0 313.441 4.205 40 0 DIABRO COc1cc(C[NH2+]CC(C)C)ccc1OCc1ccccc1F ZINC000006883591 563639081 /nfs/dbraw/zinc/63/90/81/563639081.db2.gz PMGGTUDPOBWLOS-UHFFFAOYSA-N 1 0 317.404 4.159 40 0 DIABRO COc1cccc(C[NH2+]C(C)(C)C)c1OCc1ccccc1F ZINC000006882594 563639335 /nfs/dbraw/zinc/63/93/35/563639335.db2.gz SFLQTPUMTYVCRX-UHFFFAOYSA-N 1 0 317.404 4.301 40 0 DIABRO CCC[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000007262364 563639792 /nfs/dbraw/zinc/63/97/92/563639792.db2.gz ASQHSDQFLNSJTE-UHFFFAOYSA-N 1 0 319.832 4.427 40 0 DIABRO CCOc1cc(C[NH2+]C)ccc1OCc1ccccc1Cl ZINC000008254672 563642471 /nfs/dbraw/zinc/64/24/71/563642471.db2.gz NRWVXPQHRXCXCK-UHFFFAOYSA-N 1 0 305.805 4.037 40 0 DIABRO C[NH+](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918554 563675806 /nfs/dbraw/zinc/67/58/06/563675806.db2.gz ZSTQCIVAAMTXKR-QKSWPAOXSA-N 1 0 319.533 4.320 40 0 DIABRO CCN(CC)CC[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC ZINC000022076212 563714716 /nfs/dbraw/zinc/71/47/16/563714716.db2.gz SZGGFJUQPDLLTK-UHFFFAOYSA-N 1 0 323.484 4.246 40 0 DIABRO C[NH2+]CCCNc1ccnc2c(Sc3ccccc3)cccc12 ZINC000222683571 563727434 /nfs/dbraw/zinc/72/74/34/563727434.db2.gz DMJOMSUXXVKBEW-UHFFFAOYSA-N 1 0 323.465 4.407 40 0 DIABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(C)cc2C)cc1 ZINC000225056587 563747327 /nfs/dbraw/zinc/74/73/27/563747327.db2.gz AZQULMOJPLDPRE-UHFFFAOYSA-N 1 0 310.441 4.398 40 0 DIABRO Cc1cccnc1Nc1cccc(C2CC[NH+](CC3CC3)CC2)n1 ZINC000257241235 563791872 /nfs/dbraw/zinc/79/18/72/563791872.db2.gz HXFUPPWJSJUDIQ-UHFFFAOYSA-N 1 0 322.456 4.118 40 0 DIABRO CC(C)Nc1cc(N2Cc3ccccc3C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000328967560 563832549 /nfs/dbraw/zinc/83/25/49/563832549.db2.gz CVIPMTWFXSQQQS-HNNXBMFYSA-N 1 0 324.472 4.372 40 0 DIABRO Fc1ccc2oc([C@H]3CC[N@H+](Cc4ccccc4F)C3)nc2c1 ZINC000035446908 563867387 /nfs/dbraw/zinc/86/73/87/563867387.db2.gz HHXCDCPMHLMSBD-ZDUSSCGKSA-N 1 0 314.335 4.096 40 0 biogenic,in-vitro DIABRO CC(C)C[N@@H+]1CC[C@H](c2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC000035446690 563867423 /nfs/dbraw/zinc/86/74/23/563867423.db2.gz WDMBPUKSLSQCGC-NSHDSACASA-N 1 0 311.351 4.027 40 0 biogenic,in-vitro DIABRO C[C@@H]([NH2+][C@H]1CCCC[C@]1(O)C#Cc1ccccc1)c1ccccc1 ZINC000095951412 563923398 /nfs/dbraw/zinc/92/33/98/563923398.db2.gz AARQIPNIUYKDTQ-COPCDDAFSA-N 1 0 319.448 4.063 40 0 DIABRO O=[N+]1O[C@@H](c2ccccc2)[C@H](c2ccccc2)C1c1ccccc1 ZINC000001561996 568412300 /nfs/dbraw/zinc/41/23/00/568412300.db2.gz OSAUDCINISZLBG-CTNGQTDRSA-N 1 0 315.372 4.456 40 0 DIABRO [NH3+]Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000028004971 568415853 /nfs/dbraw/zinc/41/58/53/568415853.db2.gz IAFYLMNLVWFYIZ-UHFFFAOYSA-N 1 0 319.404 4.303 40 0 DIABRO O[C@]12C[C@H](c3ccccc3)[N@H+](Cc3ccccc3)[C@H]1CCCC2 ZINC001547139827 1058237827 /nfs/dbraw/zinc/23/78/27/1058237827.db2.gz RIWFQVVQINEPLK-QHAWAJNXSA-N 1 0 307.437 4.307 40 0 DIABRO c1cc([C@@H]2C[N@@H+](CC3CCCCC3)C[C@H]2c2ccccc2)n[nH]1 ZINC000072395169 191149672 /nfs/dbraw/zinc/14/96/72/191149672.db2.gz WOVHQXQLMMXWRV-RBUKOAKNSA-N 1 0 309.457 4.173 40 0 DIABRO C[NH+](C)C[C@@H](O)c1ccc(/C=C\c2ccc(Cl)cc2)cc1 ZINC000004537485 181120756 /nfs/dbraw/zinc/12/07/56/181120756.db2.gz KBGPTRHFMZERIT-DDKKJVIOSA-N 1 0 301.817 4.105 40 0 DIABRO CC1=CC[C@@H]2CO[C@@H](c3ccc[n+](Cc4ccccc4)c3)[C@H]1C2 ZINC000004587593 181127468 /nfs/dbraw/zinc/12/74/68/181127468.db2.gz TZFCVBGVAMRQAM-JBACZVJFSA-N 1 0 306.429 4.066 40 0 DIABRO CCC[C@@H]1[C@@H](O)[C@@H](C)[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000004652793 181132331 /nfs/dbraw/zinc/13/23/31/181132331.db2.gz GCUZTKRRUTYKPX-KJRRRBQDSA-N 1 0 309.453 4.486 40 0 DIABRO CC(=O)O[C@@H](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(C)cc1 ZINC000004934866 181174796 /nfs/dbraw/zinc/17/47/96/181174796.db2.gz CKPYASAJCGEVHL-BJLQDIEVSA-N 1 0 315.457 4.111 40 0 DIABRO O[C@H](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc2ccccc2c1 ZINC000004934884 181175318 /nfs/dbraw/zinc/17/53/18/181175318.db2.gz UPUJHZQDODIIMR-XGHQBKJUSA-N 1 0 309.453 4.385 40 0 DIABRO Cc1cc(OC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)ccc1C(C)C ZINC000005006171 181189209 /nfs/dbraw/zinc/18/92/09/181189209.db2.gz AKQJFRFSGLFOOG-BZSNNMDCSA-N 1 0 319.489 4.121 40 0 DIABRO CC[NH+](CC)CCC[C@@H](C)Nc1nncc2ccc(Cl)cc21 ZINC000005807592 181285460 /nfs/dbraw/zinc/28/54/60/181285460.db2.gz KAKXLDWRFKGSOX-CYBMUJFWSA-N 1 0 320.868 4.206 40 0 DIABRO CCC[NH2+]CCC[C@H](C)Nc1cc(OC)cc2c(C)ccnc12 ZINC000005838839 181288212 /nfs/dbraw/zinc/28/82/12/181288212.db2.gz BYIRFUCUJGFGLW-HNNXBMFYSA-N 1 0 315.461 4.132 40 0 DIABRO Cc1ccccc1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000005981927 181303533 /nfs/dbraw/zinc/30/35/33/181303533.db2.gz BPRJSZNTBJFEAC-UHFFFAOYSA-N 1 0 308.425 4.233 40 0 DIABRO CC1(C)Cc2c3ccccc3ccc2C(CC[NH+]2CCCC2)=N1 ZINC000006393105 181337024 /nfs/dbraw/zinc/33/70/24/181337024.db2.gz VONRIRAYVHHHEN-UHFFFAOYSA-N 1 0 306.453 4.450 40 0 DIABRO CC(C)[NH+]1CCC(c2cccc(-n3cnc4ccccc43)n2)CC1 ZINC000257274542 203001676 /nfs/dbraw/zinc/00/16/76/203001676.db2.gz NLMOEZBLLRYSQS-UHFFFAOYSA-N 1 0 320.440 4.008 40 0 DIABRO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccccc2)c2sccn12 ZINC000257302399 203027581 /nfs/dbraw/zinc/02/75/81/203027581.db2.gz SCUHFIISFIPKKW-MRXNPFEDSA-N 1 0 311.454 4.431 40 0 DIABRO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)c2sccn12 ZINC000257302398 203028222 /nfs/dbraw/zinc/02/82/22/203028222.db2.gz SCUHFIISFIPKKW-INIZCTEOSA-N 1 0 311.454 4.431 40 0 DIABRO Cc1cnc(-c2cc([C@H]3CCCC[N@H+]3C(C)C)nc(C)n2)s1 ZINC000257324832 203048618 /nfs/dbraw/zinc/04/86/18/203048618.db2.gz WQJRXMMTIRLSQQ-MRXNPFEDSA-N 1 0 316.474 4.152 40 0 DIABRO C[C@@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)[C@@H]1C ZINC000019496685 182125466 /nfs/dbraw/zinc/12/54/66/182125466.db2.gz RYNAYTUYWPFNAP-CPUCHLNUSA-N 1 0 313.445 4.035 40 0 DIABRO C[C@@H]1c2ccsc2CC[N@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000019498348 182126133 /nfs/dbraw/zinc/12/61/33/182126133.db2.gz BONAYYLBXWICNH-LLVKDONJSA-N 1 0 315.467 4.319 40 0 DIABRO CC(C)c1ccc(C[NH2+][C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019453312 182123534 /nfs/dbraw/zinc/12/35/34/182123534.db2.gz KAKIUANEYZFNNT-VQTJNVASSA-N 1 0 313.416 4.221 40 0 DIABRO C[C@@H]1CCC[N@@H+](C2CCN(Cc3cc4ccccc4o3)CC2)C1 ZINC000019496484 182125050 /nfs/dbraw/zinc/12/50/50/182125050.db2.gz SRIWSXVOPGZLMR-MRXNPFEDSA-N 1 0 312.457 4.129 40 0 DIABRO C[C@@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2[C@H]2CCCO2)[C@@H]1C ZINC000019496687 182125194 /nfs/dbraw/zinc/12/51/94/182125194.db2.gz RYNAYTUYWPFNAP-CKEIUWERSA-N 1 0 313.445 4.035 40 0 DIABRO CCOc1ccc2c(c1)sc(=S)n2C[NH+]1CCCCC1 ZINC000019597089 182132741 /nfs/dbraw/zinc/13/27/41/182132741.db2.gz NJNCBYKVSAVSIA-UHFFFAOYSA-N 1 0 308.472 4.274 40 0 DIABRO CN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1CCCCC1 ZINC000019934064 182167486 /nfs/dbraw/zinc/16/74/86/182167486.db2.gz KKFVBBXEDHGNPO-UHFFFAOYSA-N 1 0 314.473 4.077 40 0 DIABRO C[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000020875638 182251742 /nfs/dbraw/zinc/25/17/42/182251742.db2.gz XEQUTPSTLSVFSY-UHFFFAOYSA-N 1 0 300.583 4.082 40 0 DIABRO Cc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000022526830 182324881 /nfs/dbraw/zinc/32/48/81/182324881.db2.gz GRVJXNJOQXVZSD-QGZVFWFLSA-N 1 0 322.452 4.479 40 0 DIABRO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000022532846 182325425 /nfs/dbraw/zinc/32/54/25/182325425.db2.gz HRCWRRNLONIKPK-KRWDZBQOSA-N 1 0 322.452 4.082 40 0 DIABRO COc1cccc(Nc2cc[nH+]c3cc(OC)c(OC)cc23)c1 ZINC000065005264 184308497 /nfs/dbraw/zinc/30/84/97/184308497.db2.gz XRZMFQQRICVCID-UHFFFAOYSA-N 1 0 310.353 4.004 40 0 DIABRO Cc1cc([C@H]([NH3+])c2ccccc2)cnc1NCc1ccccc1 ZINC000072222339 257123267 /nfs/dbraw/zinc/12/32/67/257123267.db2.gz OXQAZRIHOANUQV-LJQANCHMSA-N 1 0 303.409 4.050 40 0 DIABRO Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1OCc1ccccc1 ZINC000072222394 257123460 /nfs/dbraw/zinc/12/34/60/257123460.db2.gz AACYJVSZMVLGCU-IBGZPJMESA-N 1 0 304.393 4.017 40 0 DIABRO Cc1cc(N2CCc3ccccc32)ncc1[C@H]([NH3+])c1ccccc1 ZINC000072223953 257123515 /nfs/dbraw/zinc/12/35/15/257123515.db2.gz QXZFLKSLQXVKOY-OAQYLSRUSA-N 1 0 315.420 4.132 40 0 DIABRO Cc1cc(N(C)c2ccccc2)ncc1[C@@H]([NH3+])c1ccccc1 ZINC000072223352 257123802 /nfs/dbraw/zinc/12/38/02/257123802.db2.gz LHLAVRNQBKXCKU-FQEVSTJZSA-N 1 0 303.409 4.206 40 0 DIABRO [NH3+][C@H](c1ccccc1)c1ccc(SCc2ccccc2)nc1 ZINC000072225418 257123812 /nfs/dbraw/zinc/12/38/12/257123812.db2.gz GRRLESCGPBYOLD-LJQANCHMSA-N 1 0 306.434 4.422 40 0 DIABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1C ZINC000072219298 257123899 /nfs/dbraw/zinc/12/38/99/257123899.db2.gz IWJWMHAEJNKPOM-GOSISDBHSA-N 1 0 301.478 4.317 40 0 DIABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N2CCCCC2)nc1C ZINC000072219286 257123906 /nfs/dbraw/zinc/12/39/06/257123906.db2.gz KRQCJIKMNSACPN-SFHVURJKSA-N 1 0 301.478 4.317 40 0 DIABRO CCC[N@@H+]1CCCC[C@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219239 257124033 /nfs/dbraw/zinc/12/40/33/257124033.db2.gz DJHAPLGMHCFJCY-SFHVURJKSA-N 1 0 301.478 4.317 40 0 DIABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216662 257125176 /nfs/dbraw/zinc/12/51/76/257125176.db2.gz BBQZKWDVLNILBK-GOSISDBHSA-N 1 0 301.478 4.397 40 0 DIABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(NC3CCC3)nc2)cc1 ZINC000072213827 257125858 /nfs/dbraw/zinc/12/58/58/257125858.db2.gz JQPQSDYOYABOCB-LJQANCHMSA-N 1 0 307.441 4.383 40 0 DIABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc(NC3CC3)nc2)cc1 ZINC000072213804 257125868 /nfs/dbraw/zinc/12/58/68/257125868.db2.gz FNFGSZGHMKSCRZ-LJQANCHMSA-N 1 0 307.441 4.383 40 0 DIABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214396 257126048 /nfs/dbraw/zinc/12/60/48/257126048.db2.gz GUEJEBAKBFDSMD-OAHLLOKOSA-N 1 0 319.449 4.366 40 0 DIABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC000072215081 257126277 /nfs/dbraw/zinc/12/62/77/257126277.db2.gz LZCRGBAWRYWLEX-HIFRSBDPSA-N 1 0 319.449 4.046 40 0 DIABRO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[NH2+]1 ZINC000072215193 257126592 /nfs/dbraw/zinc/12/65/92/257126592.db2.gz UZFOCZRKEFAVNH-HIFRSBDPSA-N 1 0 319.449 4.046 40 0 DIABRO COc1cc(C[NH2+]CC(C)C)ccc1OCc1cccs1 ZINC000006883593 257218894 /nfs/dbraw/zinc/21/88/94/257218894.db2.gz LDWPEDTYVXSDPY-UHFFFAOYSA-N 1 0 305.443 4.081 40 0 DIABRO C[C@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2[C@H]2CCCO2)[C@H]1C ZINC000247883605 341370875 /nfs/dbraw/zinc/37/08/75/341370875.db2.gz RYNAYTUYWPFNAP-GRDNDAEWSA-N 1 0 313.445 4.035 40 0 DIABRO CCC[C@@H](C)[N@H+](CC)CCNc1cc(OC)cc2cccnc21 ZINC000001656156 563289204 /nfs/dbraw/zinc/28/92/04/563289204.db2.gz OFRCZWKTAGPGSE-OAHLLOKOSA-N 1 0 315.461 4.166 40 0 DIABRO C[NH2+][C@H](C)[C@H](Nc1cc(OC)cc2cccnc21)c1ccccc1 ZINC000001656110 563289270 /nfs/dbraw/zinc/28/92/70/563289270.db2.gz LNRSSOUKXAJCEX-KUHUBIRLSA-N 1 0 321.424 4.005 40 0 DIABRO CCC[C@H](O)[C@H](CC)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000001665867 563289728 /nfs/dbraw/zinc/28/97/28/563289728.db2.gz WCMLBOIVUKMLBK-ACRUOGEOSA-N 1 0 311.469 4.500 40 0 DIABRO Cc1cccc(C(=O)OCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000001716147 563293184 /nfs/dbraw/zinc/29/31/84/563293184.db2.gz NEYVFMBZEHVOHD-UHFFFAOYSA-N 1 0 323.436 4.338 40 0 DIABRO [NH3+]C(CSCc1ccccc1)CSCc1ccccc1 ZINC000001743629 563294392 /nfs/dbraw/zinc/29/43/92/563294392.db2.gz PLVMFUPNOBBYJN-UHFFFAOYSA-N 1 0 303.496 4.181 40 0 DIABRO C[C@H]1CCCN([PH+](c2ccccc2)N2CCC[C@H](C)C2)C1 ZINC000001737479 563294683 /nfs/dbraw/zinc/29/46/83/563294683.db2.gz RTEVWEPQWAUGNR-IRXDYDNUSA-N 1 0 304.418 4.088 40 0 DIABRO COc1cc2cccnc2c(NCCCCC[NH2+]C(C)(C)C)c1 ZINC000001873657 563296873 /nfs/dbraw/zinc/29/68/73/563296873.db2.gz DNPLSMGKLHAIPY-UHFFFAOYSA-N 1 0 315.461 4.214 40 0 DIABRO CC[N@H+](C[C@@H](O)COc1ccccc1C(C)C)C1CCCCC1 ZINC000002694378 563311339 /nfs/dbraw/zinc/31/13/39/563311339.db2.gz BQMPECYWPWRCHF-GOSISDBHSA-N 1 0 319.489 4.204 40 0 DIABRO CC[C@H](C)[NH2+]Cc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000007540105 563339277 /nfs/dbraw/zinc/33/92/77/563339277.db2.gz XBOACPYBXFRDJF-INIZCTEOSA-N 1 0 313.441 4.205 40 0 DIABRO CCOc1cc(C[NH2+]Cc2cccs2)cc(Cl)c1OC ZINC000008253690 563345441 /nfs/dbraw/zinc/34/54/41/563345441.db2.gz YJQRVAPLYONYOO-UHFFFAOYSA-N 1 0 311.834 4.099 40 0 DIABRO CCOc1cc(C[NH2+]C)cc(Cl)c1OCc1ccccc1 ZINC000008254054 563345507 /nfs/dbraw/zinc/34/55/07/563345507.db2.gz SPFHDHNISHJWPQ-UHFFFAOYSA-N 1 0 305.805 4.037 40 0 DIABRO C[N@H+]1CCc2c3ccccc3[nH]c2C[C@@H](c2ccccc2)CC1 ZINC000013679807 563385319 /nfs/dbraw/zinc/38/53/19/563385319.db2.gz MEHMCAALFDXXGP-KRWDZBQOSA-N 1 0 304.437 4.372 40 0 DIABRO CC[NH+](CC)Cc1ccccc1COC(=O)/C=C\c1ccccc1 ZINC000017004231 563412935 /nfs/dbraw/zinc/41/29/35/563412935.db2.gz AZFOHNWKWORRRX-PFONDFGASA-N 1 0 323.436 4.285 40 0 DIABRO O[C@@H](c1ccccc1)[C@@H]([NH2+]CCc1ccccc1)c1ccccc1 ZINC000031962127 563441531 /nfs/dbraw/zinc/44/15/31/563441531.db2.gz SLMTURVZZPYFOH-VXKWHMMOSA-N 1 0 317.432 4.294 40 0 DIABRO Clc1ccc(N2CC[NH+](C3=Cc4ccccc4CC3)CC2)cc1 ZINC000055145572 563472049 /nfs/dbraw/zinc/47/20/49/563472049.db2.gz GHFPGXRPMJSKJE-UHFFFAOYSA-N 1 0 324.855 4.449 40 0 DIABRO Cc1cc(NCCCCCC[NH3+])nc(-c2ccc(Cl)cc2)n1 ZINC000008731100 563523505 /nfs/dbraw/zinc/52/35/05/563523505.db2.gz VRZMCWUNDBVVBM-UHFFFAOYSA-N 1 0 318.852 4.036 40 0 DIABRO Fc1ccc(Oc2ccccc2)c(OCC[NH+]2CCCCC2)c1 ZINC000585265235 563537176 /nfs/dbraw/zinc/53/71/76/563537176.db2.gz JYBGSDWGBFHTGZ-UHFFFAOYSA-N 1 0 315.388 4.483 40 0 DIABRO Brc1ccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000085394463 563569284 /nfs/dbraw/zinc/56/92/84/563569284.db2.gz BJTQABVGRQECFZ-RDJZCZTQSA-N 1 0 316.242 4.342 40 0 DIABRO Brc1ccc(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000085394443 563569321 /nfs/dbraw/zinc/56/93/21/563569321.db2.gz BJTQABVGRQECFZ-WBVHZDCISA-N 1 0 316.242 4.342 40 0 DIABRO COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)cc(OC)c1 ZINC000048260484 563574685 /nfs/dbraw/zinc/57/46/85/563574685.db2.gz VBJLJOVEFPWEFT-BJZITVGISA-N 1 0 303.446 4.008 40 0 DIABRO Fc1ccc(C[n+]2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000226307553 563605161 /nfs/dbraw/zinc/60/51/61/563605161.db2.gz QRMLZGICOVZZGX-UHFFFAOYSA-N 1 0 321.400 4.438 40 0 DIABRO Cc1cc(C)cc(NC(=O)CCn2cnc3cc(C)c(C)cc32)c1 ZINC000000412083 563608326 /nfs/dbraw/zinc/60/83/26/563608326.db2.gz QIRNZFGHBMZBDG-UHFFFAOYSA-N 1 0 321.424 4.299 40 0 DIABRO COc1cc(C[NH2+]C2CC2)ccc1OCc1ccccc1Cl ZINC000008472111 563642408 /nfs/dbraw/zinc/64/24/08/563642408.db2.gz BLPVCHBILLVHED-UHFFFAOYSA-N 1 0 317.816 4.180 40 0 DIABRO COc1cccc(C[NH2+]C2CC2)c1OCc1ccc(Cl)cc1 ZINC000008495274 563642881 /nfs/dbraw/zinc/64/28/81/563642881.db2.gz MUBYPVHAHXBJLM-UHFFFAOYSA-N 1 0 317.816 4.180 40 0 DIABRO COc1cccc(C[NH2+]C2CC2)c1OCc1ccccc1Cl ZINC000008495563 563642978 /nfs/dbraw/zinc/64/29/78/563642978.db2.gz GBNLEYFWTBRUJT-UHFFFAOYSA-N 1 0 317.816 4.180 40 0 DIABRO CCc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000010364691 563648519 /nfs/dbraw/zinc/64/85/19/563648519.db2.gz DILWFYNBTAHGES-UHFFFAOYSA-N 1 0 308.425 4.097 40 0 DIABRO Cc1ccc(-c2nnc([C@H]3CC[N@@H+](C4CCCCC4)C3)o2)cc1 ZINC000049169904 563700844 /nfs/dbraw/zinc/70/08/44/563700844.db2.gz NJRKRXPPLCJNCP-INIZCTEOSA-N 1 0 311.429 4.167 40 0 biogenic,in-vitro DIABRO Cc1cc(NCCC[NH3+])c2cccc(Oc3ccccc3)c2n1 ZINC000222693015 563727424 /nfs/dbraw/zinc/72/74/24/563727424.db2.gz RINZXLWYMKLCCR-UHFFFAOYSA-N 1 0 307.397 4.096 40 0 DIABRO Cc1cnc(-c2ccc([C@H]3CCC[N@@H+](C(C)C)C3)nc2)s1 ZINC000257208437 563790072 /nfs/dbraw/zinc/79/00/72/563790072.db2.gz BMDVBOVEWUCOBU-HNNXBMFYSA-N 1 0 301.459 4.101 40 0 DIABRO Cc1csc(-c2ccc([C@H]3CCC[N@@H+](C(C)C)C3)nc2)n1 ZINC000257241773 563791688 /nfs/dbraw/zinc/79/16/88/563791688.db2.gz HZNVHJJKZGQSGX-HNNXBMFYSA-N 1 0 301.459 4.101 40 0 DIABRO Cc1ccccc1C[N@@H+]1CC[C@H](c2nc3cc(F)ccc3o2)C1 ZINC000035446914 563867399 /nfs/dbraw/zinc/86/73/99/563867399.db2.gz BLTKGDPVCBJXSG-HNNXBMFYSA-N 1 0 310.372 4.265 40 0 biogenic,in-vitro DIABRO Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH3+])C=C3C)nc21 ZINC000096296141 563936137 /nfs/dbraw/zinc/93/61/37/563936137.db2.gz KBFVACYMQKXUCI-ULQDDVLXSA-N 1 0 311.473 4.227 40 0 biogenic,in-vitro DIABRO CCC[C@@H](C)OC(=O)C[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000001569407 568412167 /nfs/dbraw/zinc/41/21/67/568412167.db2.gz RRODMYNEUWOESW-SJLPKXTDSA-N 1 0 303.446 4.336 40 0 DIABRO COc1cccc(C[N@H+](Cc2ccccc2)Cc2ccncc2)c1 ZINC000013989203 1041502829 /nfs/dbraw/zinc/50/28/29/1041502829.db2.gz BHWJYDNJZJDXLI-UHFFFAOYSA-N 1 0 318.420 4.293 40 0 DIABRO Cc1ccccc1CN(Cc1ccccc1C)C[C@@H]1CCCC[NH2+]1 ZINC000072203913 191075419 /nfs/dbraw/zinc/07/54/19/191075419.db2.gz UQNFHPFTLKATHV-QFIPXVFZSA-N 1 0 322.496 4.448 40 0 DIABRO C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072357523 191130415 /nfs/dbraw/zinc/13/04/15/191130415.db2.gz XLBYJDVNOCGMRG-QGZVFWFLSA-N 1 0 320.358 4.458 40 0 DIABRO Cc1ccccc1C[N@@H+]1CC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000072369822 191140163 /nfs/dbraw/zinc/14/01/63/191140163.db2.gz LHBXKGCRNQVEMI-GOSISDBHSA-N 1 0 319.408 4.035 40 0 DIABRO Cc1nccn1-c1cccc(C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000072379148 191141557 /nfs/dbraw/zinc/14/15/57/191141557.db2.gz MAPHSCOIOXUWHV-UHFFFAOYSA-N 1 0 324.472 4.088 40 0 DIABRO CC1(C)CC(NSc2nc3ccccc3s2)CC(C)(C)[NH2+]1 ZINC000000027633 180670435 /nfs/dbraw/zinc/67/04/35/180670435.db2.gz GDTGOEKRLDIBJM-UHFFFAOYSA-N 1 0 321.515 4.202 40 0 DIABRO Cc1ccc(-c2c[n+](Cc3ccccc3Cl)c3n2CCC3)cc1 ZINC000000538671 180817262 /nfs/dbraw/zinc/81/72/62/180817262.db2.gz ONVDXQNSJUSADL-UHFFFAOYSA-N 1 0 323.847 4.399 40 0 DIABRO c1ccc(-c2n[n+](-c3ccccc3)n3c2ccc2ccccc23)cc1 ZINC000002555919 180934668 /nfs/dbraw/zinc/93/46/68/180934668.db2.gz WNARJESYHRYXKI-UHFFFAOYSA-N 1 0 322.391 4.431 40 0 DIABRO C[NH+](C)C[C@H](O)c1ccc(/C=C\c2ccc(Cl)cc2)cc1 ZINC000004537483 181120704 /nfs/dbraw/zinc/12/07/04/181120704.db2.gz KBGPTRHFMZERIT-JXCVUKRWSA-N 1 0 301.817 4.105 40 0 DIABRO CCCCC[C@H](C)[NH2+]C[C@@H](O)Cc1ccc(OCCCC)cc1 ZINC000004721974 181142570 /nfs/dbraw/zinc/14/25/70/181142570.db2.gz BEIBQSJRJBTTMQ-HKUYNNGSSA-N 1 0 321.505 4.327 40 0 DIABRO C[C@H]([NH2+]C1CCCC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000004969221 181181079 /nfs/dbraw/zinc/18/10/79/181181079.db2.gz HGWKOWHSFFTYKL-HNNXBMFYSA-N 1 0 308.425 4.213 40 0 DIABRO COc1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)cc1OC ZINC000005412180 181240205 /nfs/dbraw/zinc/24/02/05/181240205.db2.gz NFFKFPDZEUOKMC-ZTNFWEORSA-N 1 0 317.473 4.051 40 0 DIABRO CC[C@H](C)c1ccccc1OC[C@@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000006356066 181333866 /nfs/dbraw/zinc/33/38/66/181333866.db2.gz ZOHVSEXZWRMRLF-FJIDUMEYSA-N 1 0 319.489 4.203 40 0 DIABRO FC(F)(F)c1ccc(CC2CCC([NH+]3CCCC3)CC2)nc1 ZINC000257312830 203035691 /nfs/dbraw/zinc/03/56/91/203035691.db2.gz UPTASRRTUSROBI-UHFFFAOYSA-N 1 0 312.379 4.298 40 0 DIABRO Cc1ccc2c(c1)OC1(CC[NH+](C(C)C)CC1)[C@H]1CCCO[C@H]21 ZINC000257309715 203033964 /nfs/dbraw/zinc/03/39/64/203033964.db2.gz UCCKCYYILLZTEV-PKOBYXMFSA-N 1 0 315.457 4.098 40 0 DIABRO Cc1nc([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c2ccccn12 ZINC000019240673 182111489 /nfs/dbraw/zinc/11/14/89/182111489.db2.gz VOQCPYXNEWOBFE-QGZVFWFLSA-N 1 0 323.415 4.161 40 0 DIABRO Fc1ccccc1C[NH+]1CCC(c2cc3cccnc3[nH]2)CC1 ZINC000019348905 182117657 /nfs/dbraw/zinc/11/76/57/182117657.db2.gz HHWIQKIBQIHFPT-UHFFFAOYSA-N 1 0 309.388 4.082 40 0 DIABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3cc4ncccc4[nH]3)C2)cc1 ZINC000019345307 182117968 /nfs/dbraw/zinc/11/79/68/182117968.db2.gz MUCQFJCRMQYRMZ-OAHLLOKOSA-N 1 0 309.388 4.082 40 0 DIABRO c1csc(-c2noc([C@@H]3CC[N@@H+](CC4CCCCC4)C3)n2)c1 ZINC000019344658 182118140 /nfs/dbraw/zinc/11/81/40/182118140.db2.gz YTWIZIATQNEQDN-CQSZACIVSA-N 1 0 317.458 4.168 40 0 DIABRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c2cccnc2[nH]c1[C@@H]1CCCO1 ZINC000019496686 182125342 /nfs/dbraw/zinc/12/53/42/182125342.db2.gz RYNAYTUYWPFNAP-VBQJREDUSA-N 1 0 313.445 4.035 40 0 DIABRO CCCc1ncc(C[NH2+][C@@H]2[C@@H]3CCC[C@H]3[C@H]2c2ccccc2)cn1 ZINC000019525785 182128133 /nfs/dbraw/zinc/12/81/33/182128133.db2.gz PAPSKKLIZVECSO-VURPSTOHSA-N 1 0 321.468 4.101 40 0 DIABRO CCc1ncc(C[NH2+][C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)cn1 ZINC000019523476 182128172 /nfs/dbraw/zinc/12/81/72/182128172.db2.gz GBYOZGRWZPBBCJ-YHELAOLJSA-N 1 0 321.468 4.101 40 0 DIABRO COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2cccnc2)cc1 ZINC000019557607 182130240 /nfs/dbraw/zinc/13/02/40/182130240.db2.gz NMNHVLOJRAIBPU-WOZUAGRISA-N 1 0 322.452 4.152 40 0 DIABRO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000022524186 182324910 /nfs/dbraw/zinc/32/49/10/182324910.db2.gz PDJLGRFMMHFHSN-UHFFFAOYSA-N 1 0 322.452 4.479 40 0 DIABRO Cc1ccc(C)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000038833386 183011425 /nfs/dbraw/zinc/01/14/25/183011425.db2.gz NTCYHJWWOQSGPU-LJQANCHMSA-N 1 0 322.452 4.154 40 0 DIABRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1C ZINC000038833578 183011562 /nfs/dbraw/zinc/01/15/62/183011562.db2.gz GMWZMDJDKHMIGC-IBGZPJMESA-N 1 0 322.452 4.154 40 0 DIABRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1C ZINC000038835170 183011574 /nfs/dbraw/zinc/01/15/74/183011574.db2.gz ASNPWLLFRKXZOX-LJQANCHMSA-N 1 0 322.452 4.154 40 0 DIABRO CCCc1ncc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)cn1 ZINC000057823110 184055625 /nfs/dbraw/zinc/05/56/25/184055625.db2.gz ZZYJDNKNXFEXKA-UHFFFAOYSA-N 1 0 315.848 4.252 40 0 DIABRO C[N@H+]1CC=C([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000065743351 184378668 /nfs/dbraw/zinc/37/86/68/184378668.db2.gz CAQVAQIJQYJEND-IBGZPJMESA-N 1 0 324.855 4.227 40 0 in-vitro DIABRO Cc1cc(N(C)Cc2ccccc2)ncc1[C@H]([NH3+])c1ccccc1 ZINC000072223405 257123179 /nfs/dbraw/zinc/12/31/79/257123179.db2.gz OQQGINUPDZVWFP-OAQYLSRUSA-N 1 0 317.436 4.075 40 0 DIABRO Cc1cc(NCc2ccccc2)ncc1[C@@H]([NH3+])c1ccccc1 ZINC000072223379 257123230 /nfs/dbraw/zinc/12/32/30/257123230.db2.gz XYQHEWDJPSMBMT-FQEVSTJZSA-N 1 0 303.409 4.050 40 0 DIABRO Cc1nc(NCc2ccccc2)ccc1[C@H]([NH3+])c1ccccc1 ZINC000072224420 257123271 /nfs/dbraw/zinc/12/32/71/257123271.db2.gz ZBJXICCBSBFANG-HXUWFJFHSA-N 1 0 303.409 4.050 40 0 DIABRO Cc1nc(N(C)Cc2ccccc2)ccc1[C@@H]([NH3+])c1ccccc1 ZINC000072224448 257123697 /nfs/dbraw/zinc/12/36/97/257123697.db2.gz QAZDMYXMVIRCNR-NRFANRHFSA-N 1 0 317.436 4.075 40 0 DIABRO Cc1nc(N2CCc3ccccc32)ccc1[C@H]([NH3+])c1ccccc1 ZINC000072224995 257123718 /nfs/dbraw/zinc/12/37/18/257123718.db2.gz AUTVIUNJGAWBDN-OAQYLSRUSA-N 1 0 315.420 4.132 40 0 DIABRO Cc1cc([C@@H]2CCCC[N@H+]2CC(C)C)cnc1N1CCCC1 ZINC000072218822 257124416 /nfs/dbraw/zinc/12/44/16/257124416.db2.gz DPAKOYXLGLBLHL-SFHVURJKSA-N 1 0 301.478 4.173 40 0 DIABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCCC2)nc1C ZINC000072219299 257124459 /nfs/dbraw/zinc/12/44/59/257124459.db2.gz IWJWMHAEJNKPOM-SFHVURJKSA-N 1 0 301.478 4.317 40 0 DIABRO Cc1cc(N2CCCCC2)ncc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072219241 257124503 /nfs/dbraw/zinc/12/45/03/257124503.db2.gz NHHDBMBUGRQQRB-GOSISDBHSA-N 1 0 301.478 4.316 40 0 DIABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216066 257125100 /nfs/dbraw/zinc/12/51/00/257125100.db2.gz OOEWFAJUYVNFQO-GOSISDBHSA-N 1 0 301.478 4.399 40 0 DIABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2N2CCCCC2)cc1 ZINC000072216091 257125368 /nfs/dbraw/zinc/12/53/68/257125368.db2.gz AANDTDZMPOIEJR-HXUWFJFHSA-N 1 0 321.468 4.409 40 0 DIABRO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[NH2+]2)cn1 ZINC000072214961 257125934 /nfs/dbraw/zinc/12/59/34/257125934.db2.gz ACHLZRRTOJAVEO-OAHLLOKOSA-N 1 0 319.449 4.048 40 0 DIABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214324 257126040 /nfs/dbraw/zinc/12/60/40/257126040.db2.gz YJHDZVGZRJEOCJ-HNNXBMFYSA-N 1 0 319.449 4.366 40 0 DIABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2NC2CCC2)cc1 ZINC000072213887 257126251 /nfs/dbraw/zinc/12/62/51/257126251.db2.gz MSMNZPZMBAFRQQ-LJQANCHMSA-N 1 0 307.441 4.383 40 0 DIABRO CC[NH+]1CCC2(CC1)O[C@H](c1ccccc1)[C@H](c1ccccc1)O2 ZINC000001577621 257231329 /nfs/dbraw/zinc/23/13/29/257231329.db2.gz HNPJXEXYTWKYEH-BGYRXZFFSA-N 1 0 323.436 4.328 40 0 DIABRO c1csc(CO[C@H](C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000001734065 563294590 /nfs/dbraw/zinc/29/45/90/563294590.db2.gz QWEQTGGAXPDBJB-GOSISDBHSA-N 1 0 301.455 4.492 40 0 DIABRO C[NH+](C)CCOc1c(Cc2ccccc2)ccc2ccccc21 ZINC000001586336 563286344 /nfs/dbraw/zinc/28/63/44/563286344.db2.gz ZWULITCBDVCPEH-UHFFFAOYSA-N 1 0 305.421 4.371 40 0 DIABRO CC(=O)Nc1ccc2c(c1)[C@@H]([NH+]1CCCCC1)c1ccccc1-2 ZINC000001602360 563287524 /nfs/dbraw/zinc/28/75/24/563287524.db2.gz NJLDMBUQUAPTOL-FQEVSTJZSA-N 1 0 306.409 4.201 40 0 DIABRO COc1cc(N[C@H](C)CCC[NH2+]C(C)C)c2nccc(C)c2c1 ZINC000001600858 563287578 /nfs/dbraw/zinc/28/75/78/563287578.db2.gz KLAQASCBCFSTSS-OAHLLOKOSA-N 1 0 315.461 4.130 40 0 DIABRO OCCCC1CC[NH+]([C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000001666345 563289887 /nfs/dbraw/zinc/28/98/87/563289887.db2.gz UZQKRJMVGWBHAR-JOCHJYFZSA-N 1 0 323.480 4.455 40 0 DIABRO CCCCCC[C@H](C)[N@H+](CC)CCOC(=O)c1ccc(N)cc1 ZINC000001710535 563292420 /nfs/dbraw/zinc/29/24/20/563292420.db2.gz QBMIRMQLZIGNEJ-INIZCTEOSA-N 1 0 320.477 4.106 40 0 DIABRO CC[C@@H](OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)c1ccccc1 ZINC000002694598 563311983 /nfs/dbraw/zinc/31/19/83/563311983.db2.gz PPTAYKHJILTVIZ-QZTJIDSGSA-N 1 0 321.505 4.320 40 0 DIABRO CCCc1ncc(C[NH2+]C2(c3ccccc3F)CCCC2)cn1 ZINC000012328637 563366539 /nfs/dbraw/zinc/36/65/39/563366539.db2.gz MZGFKCPFLNSSKE-UHFFFAOYSA-N 1 0 313.420 4.127 40 0 DIABRO C[N@H+]1CCc2c3ccccc3[nH]c2C[C@H](c2ccccc2)CC1 ZINC000013679805 563385554 /nfs/dbraw/zinc/38/55/54/563385554.db2.gz MEHMCAALFDXXGP-QGZVFWFLSA-N 1 0 304.437 4.372 40 0 DIABRO O=C(/C=C\c1ccccc1)OCc1ccccc1C[N@H+]1C=CCC1 ZINC000017004276 563413660 /nfs/dbraw/zinc/41/36/60/563413660.db2.gz PVNMMULREXJMLK-SEYXRHQNSA-N 1 0 319.404 4.163 40 0 DIABRO CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000031613720 563440524 /nfs/dbraw/zinc/44/05/24/563440524.db2.gz XUSOQCUAEZBUMT-SFHVURJKSA-N 1 0 303.833 4.286 40 0 DIABRO CCOC[C@H]1c2ccccc2CC[N@H+]1Cc1c[nH]c2ccccc12 ZINC000031669937 563440736 /nfs/dbraw/zinc/44/07/36/563440736.db2.gz YQTCYADVPQXATE-NRFANRHFSA-N 1 0 320.436 4.304 40 0 DIABRO Oc1ccc([C@H](Cc2ccccc2)[NH2+]Cc2ccccc2)cc1 ZINC000031962208 563441306 /nfs/dbraw/zinc/44/13/06/563441306.db2.gz HBHRPCSKQCIYPB-NRFANRHFSA-N 1 0 303.405 4.466 40 0 DIABRO C[N@@H+]1CCC[C@H]1CCOc1cccc(F)c1Oc1ccccc1 ZINC000585266226 563537049 /nfs/dbraw/zinc/53/70/49/563537049.db2.gz QSWNUGRGGLANIM-HNNXBMFYSA-N 1 0 315.388 4.481 40 0 DIABRO Cc1cccc2nc(-c3ccc(O)cc3)c(NCCC(C)C)n21 ZINC000000417140 563608376 /nfs/dbraw/zinc/60/83/76/563608376.db2.gz CBKHDIRVGGQXAA-UHFFFAOYSA-N 1 0 309.413 4.473 40 0 DIABRO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000000411476 563611320 /nfs/dbraw/zinc/61/13/20/563611320.db2.gz LEMNCDPTRIEGFF-APWZRJJASA-N 1 0 322.452 4.460 40 0 DIABRO Cc1cc(C)c2c(c1)CC(C)(C)[C@@H]1CC3(CC[NH2+]CC3)CO[C@@H]21 ZINC000257304685 563615022 /nfs/dbraw/zinc/61/50/22/563615022.db2.gz SMSMXEMXKHXPTN-IEBWSBKVSA-N 1 0 313.485 4.333 40 0 DIABRO COc1cccc(C[NH2+]CC(C)C)c1OCc1ccc(F)cc1 ZINC000006883651 563639095 /nfs/dbraw/zinc/63/90/95/563639095.db2.gz BZDUIWGYIJLDSJ-UHFFFAOYSA-N 1 0 317.404 4.159 40 0 DIABRO COC(=O)c1ccc(-c2ccc(C[NH2+]C3CCCCC3)o2)cc1 ZINC000007538705 563640175 /nfs/dbraw/zinc/64/01/75/563640175.db2.gz CMKFCXCHBSRJPF-UHFFFAOYSA-N 1 0 313.397 4.156 40 0 DIABRO c1[nH]c2ccccc2c1C[N@@H+]1CC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000049169056 563700962 /nfs/dbraw/zinc/70/09/62/563700962.db2.gz HJWOGWXKQZQUBC-AWEZNQCLSA-N 1 0 316.408 4.034 40 0 biogenic,in-vitro DIABRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)o1)[C@@H](O)c1ccccc1 ZINC000022076469 563714145 /nfs/dbraw/zinc/71/41/45/563714145.db2.gz PZQNNDCAUSTISI-FOIQADDNSA-N 1 0 307.393 4.158 40 0 DIABRO [NH3+]CCNc1ccnc2c(Oc3ccccc3)ccc(Cl)c12 ZINC000222683660 563727237 /nfs/dbraw/zinc/72/72/37/563727237.db2.gz XXIVTMNTMBIYHK-UHFFFAOYSA-N 1 0 313.788 4.051 40 0 DIABRO O[C@@H]1CCCC[C@H]2[C@H]1[C@@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC000254286818 563785309 /nfs/dbraw/zinc/78/53/09/563785309.db2.gz ASUIJTQOWIPBJV-CIAFKFPVSA-N 1 0 321.464 4.206 40 0 DIABRO Cc1csc(-c2ccc([C@@H]3CCC[N@@H+](C(C)C)C3)nc2)n1 ZINC000257241774 563791345 /nfs/dbraw/zinc/79/13/45/563791345.db2.gz HZNVHJJKZGQSGX-OAHLLOKOSA-N 1 0 301.459 4.101 40 0 DIABRO CC(C)c1nc(N2Cc3ccccc3C[C@H]2C)cc(NC2CC2)[nH+]1 ZINC000329065319 563834497 /nfs/dbraw/zinc/83/44/97/563834497.db2.gz XPTVLKRAXYTJTH-CQSZACIVSA-N 1 0 322.456 4.126 40 0 DIABRO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@H](C)C1 ZINC000001326097 563854839 /nfs/dbraw/zinc/85/48/39/563854839.db2.gz VUEZNONIYWVUJQ-DLBZAZTESA-N 1 0 322.452 4.413 40 0 DIABRO CCC[N@H+]1CC=C(c2nc3cc(Br)ccc3o2)CC1 ZINC000226251024 563913308 /nfs/dbraw/zinc/91/33/08/563913308.db2.gz QKZIZBSRNWZAKB-UHFFFAOYSA-N 1 0 321.218 4.089 40 0 DIABRO c1ccc(COc2ccc(C[C@H]3CC4CC[NH+]3CC4)cc2)cc1 ZINC000000977959 563920796 /nfs/dbraw/zinc/92/07/96/563920796.db2.gz SQMCJQNDEWEACK-FQEVSTJZSA-N 1 0 307.437 4.292 40 0 DIABRO Cc1c2[s+]c(-c3ccccc3)c(=O)n-2c2ccccc2n1C ZINC000006235770 563921302 /nfs/dbraw/zinc/92/13/02/563921302.db2.gz DOMPNHURFCIGKV-UHFFFAOYSA-N 1 0 307.398 4.085 40 0 DIABRO CCCCCOC(=O)C[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000001569383 568412275 /nfs/dbraw/zinc/41/22/75/568412275.db2.gz YOCFAWSYGSKHED-GOSISDBHSA-N 1 0 303.446 4.337 40 0 DIABRO OCC[N@H+](Cc1cccs1)Cc1ccc(Cl)c(Cl)c1 ZINC000013997437 1041502562 /nfs/dbraw/zinc/50/25/62/1041502562.db2.gz NWHDCJBXRIHFRR-UHFFFAOYSA-N 1 0 316.253 4.049 40 0 DIABRO CC(C)(C)c1ccc(-c2nnc([C@H]([NH3+])Cc3ccccc3)[nH]2)cc1 ZINC000095534908 185379042 /nfs/dbraw/zinc/37/90/42/185379042.db2.gz KAGMCURQTJEWAJ-QGZVFWFLSA-N 1 0 320.440 4.012 40 0 DIABRO CC1=C[C@@H](C[NH3+])[C@H](C(C)C)C[C@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000072320872 191120408 /nfs/dbraw/zinc/12/04/08/191120408.db2.gz JKVLCPHWQSUQLK-DZKIICNBSA-N 1 0 315.436 4.058 40 0 biogenic,in-vitro DIABRO C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072348587 191127770 /nfs/dbraw/zinc/12/77/70/191127770.db2.gz KHGIMYFCNGBMNH-OAHLLOKOSA-N 1 0 300.833 4.135 40 0 DIABRO C[N@@H+]1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072348583 191127333 /nfs/dbraw/zinc/12/73/33/191127333.db2.gz OSSOYFJZFLBUOO-HNNXBMFYSA-N 1 0 300.833 4.135 40 0 DIABRO Cc1cnc(Nc2cccc([C@@H]3CCC[N@@H+]3CC3CC3)n2)s1 ZINC000072375231 191140167 /nfs/dbraw/zinc/14/01/67/191140167.db2.gz GEGBCGDVTKOOLR-HNNXBMFYSA-N 1 0 314.458 4.137 40 0 DIABRO C[C@H]1C[C@H](C)C[NH+](Cc2c3cccnc3[nH]c2C(F)(F)F)C1 ZINC000072393364 191148886 /nfs/dbraw/zinc/14/88/86/191148886.db2.gz DPNZUHQWLYTKES-QWRGUYRKSA-N 1 0 311.351 4.060 40 0 DIABRO C[N@H+](CCc1ccccc1)Cc1c2cccnc2[nH]c1C1CC1 ZINC000072393373 191148953 /nfs/dbraw/zinc/14/89/53/191148953.db2.gz XRRCMESMJQDRJY-UHFFFAOYSA-N 1 0 305.425 4.115 40 0 DIABRO CCCC[NH2+][C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000001595258 180877322 /nfs/dbraw/zinc/87/73/22/180877322.db2.gz OYNSFIYSFXQMAX-FQEVSTJZSA-N 1 0 313.441 4.377 40 0 DIABRO O=C(C[NH2+]C1CCCCC1)N(C1CCCCC1)C1CCCCC1 ZINC000003329807 181006707 /nfs/dbraw/zinc/00/67/07/181006707.db2.gz GTLCGGZWYMNKFB-UHFFFAOYSA-N 1 0 320.521 4.403 40 0 DIABRO CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)[C@@H]1O ZINC000004652790 181132305 /nfs/dbraw/zinc/13/23/05/181132305.db2.gz GCUZTKRRUTYKPX-YSCIFQABSA-N 1 0 309.453 4.486 40 0 DIABRO C[NH+](C)CCCCNc1c2c(nc3c(Cl)cccc31)CCC2 ZINC000004804343 181153752 /nfs/dbraw/zinc/15/37/52/181153752.db2.gz CHRPRVJFIUPQCD-UHFFFAOYSA-N 1 0 317.864 4.131 40 0 DIABRO CC(=O)O[C@H](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(C)cc1 ZINC000004934865 181175122 /nfs/dbraw/zinc/17/51/22/181175122.db2.gz CKPYASAJCGEVHL-CMKODMSKSA-N 1 0 315.457 4.111 40 0 DIABRO Clc1ccc2c(c1)[C@H](c1ccccc1)[NH+]=C(N1CCCC1)N2 ZINC000005775315 181283087 /nfs/dbraw/zinc/28/30/87/181283087.db2.gz MPKXJIMWFXXKCH-KRWDZBQOSA-N 1 0 311.816 4.116 40 0 DIABRO CCCC[NH2+][C@@H](C(=O)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000005838031 181288171 /nfs/dbraw/zinc/28/81/71/181288171.db2.gz YCAMJWACOMDXTF-LJQANCHMSA-N 1 0 310.441 4.066 40 0 DIABRO CCC[C@H](C(=O)OCC[NH2+]C1CCCCC1)c1ccccc1 ZINC000006381019 181335881 /nfs/dbraw/zinc/33/58/81/181335881.db2.gz QFIRHCSZZJFCBV-SFHVURJKSA-N 1 0 303.446 4.036 40 0 DIABRO Cc1nc([C@@]2(C)CCC[N@@H+](C3CCCC3)C2)c2sccn12 ZINC000257328765 203052895 /nfs/dbraw/zinc/05/28/95/203052895.db2.gz XHAMWHGSGPGOGZ-KRWDZBQOSA-N 1 0 303.475 4.000 40 0 DIABRO CCCC[NH2+]Cc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000007261670 181450358 /nfs/dbraw/zinc/45/03/58/181450358.db2.gz UOHQCMGYUZKXLE-UHFFFAOYSA-N 1 0 313.441 4.206 40 0 DIABRO Cn1ccc([C@@H]2CCCCC[N@@H+]2Cc2ccnc3ccccc23)n1 ZINC000019291100 182113581 /nfs/dbraw/zinc/11/35/81/182113581.db2.gz BKTMPMFMIUSJOI-FQEVSTJZSA-N 1 0 320.440 4.086 40 0 DIABRO c1csc(-c2noc([C@H]3CC[N@@H+](CC4CCCCC4)C3)n2)c1 ZINC000019344661 182117435 /nfs/dbraw/zinc/11/74/35/182117435.db2.gz YTWIZIATQNEQDN-AWEZNQCLSA-N 1 0 317.458 4.168 40 0 DIABRO CC[NH+](CC)CCN[C@H](c1ccccc1)C(Cl)(Cl)Cl ZINC000019366405 182118496 /nfs/dbraw/zinc/11/84/96/182118496.db2.gz HLZZHRVERPITLD-CYBMUJFWSA-N 1 0 323.695 4.029 40 0 DIABRO CC[NH+](CC)C[C@@H]1c2ccccc2[C@H](CNc2ccccc2)N1C ZINC000019365210 182118561 /nfs/dbraw/zinc/11/85/61/182118561.db2.gz BFTKLTXWDUKHIE-LEWJYISDSA-N 1 0 323.484 4.168 40 0 DIABRO CCc1ncc(C[NH2+][C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)cn1 ZINC000019523478 182128677 /nfs/dbraw/zinc/12/86/77/182128677.db2.gz GBYOZGRWZPBBCJ-QCFAMHMHSA-N 1 0 321.468 4.101 40 0 DIABRO Cc1noc(-c2cn[nH]c2[C@H]2CCC[N@@H+]2Cc2ccccc2)c1C ZINC000019558096 182129992 /nfs/dbraw/zinc/12/99/92/182129992.db2.gz CQMFLRPIMZNIIU-QGZVFWFLSA-N 1 0 322.412 4.019 40 0 DIABRO Cc1noc(-c2cn[nH]c2[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1C ZINC000019558093 182130177 /nfs/dbraw/zinc/13/01/77/182130177.db2.gz CQMFLRPIMZNIIU-KRWDZBQOSA-N 1 0 322.412 4.019 40 0 DIABRO COc1ccccc1C[N@@H+]1CC[C@@H](c2cc3ccccc3cn2)C1 ZINC000019570061 182130434 /nfs/dbraw/zinc/13/04/34/182130434.db2.gz DCSQSCQYAHKNNV-GOSISDBHSA-N 1 0 318.420 4.233 40 0 DIABRO C[N@H+](Cc1c2cccnc2[nH]c1C1CCCC1)Cc1ccncc1 ZINC000019586597 182132493 /nfs/dbraw/zinc/13/24/93/182132493.db2.gz LQBLGXBXVNJRSW-UHFFFAOYSA-N 1 0 320.440 4.248 40 0 DIABRO Cc1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020045107 182183017 /nfs/dbraw/zinc/18/30/17/182183017.db2.gz OHEWXTSTIYHJFW-MRXNPFEDSA-N 1 0 322.452 4.479 40 0 DIABRO [NH3+][C@H](c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1C1CCCCC1 ZINC000022588080 182326914 /nfs/dbraw/zinc/32/69/14/182326914.db2.gz QHUYQHXMNCGJAS-OWWWHOFVSA-N 1 0 306.453 4.445 40 0 DIABRO C[NH+](C)CCN(Cc1cccs1)Cc1cccc2ccccc21 ZINC000023247840 182354609 /nfs/dbraw/zinc/35/46/09/182354609.db2.gz WIDIQZXZZKUVRD-UHFFFAOYSA-N 1 0 324.493 4.465 40 0 DIABRO c1ccc(CN[C@@H](C[NH2+]Cc2ccccc2)c2ccccc2)cc1 ZINC000023477018 182361688 /nfs/dbraw/zinc/36/16/88/182361688.db2.gz PMEZXKXUCLALIY-QFIPXVFZSA-N 1 0 316.448 4.307 40 0 DIABRO Cc1cc(C)cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000038833515 183011650 /nfs/dbraw/zinc/01/16/50/183011650.db2.gz SCFSGVCFQDFUKE-IBGZPJMESA-N 1 0 322.452 4.154 40 0 DIABRO O=N[C@@H](c1cccs1)/C1=C/CC[NH2+]C/C(C(F)(F)F)=C\C1 ZINC000064220317 184293249 /nfs/dbraw/zinc/29/32/49/184293249.db2.gz XYXVVZDACNDEDH-VNYHSVNGSA-N 1 0 316.348 4.354 40 0 DIABRO C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118925994 194941824 /nfs/dbraw/zinc/94/18/24/194941824.db2.gz VIQFMADXQMGZER-KPXIBXGJSA-N 1 0 319.533 4.353 40 0 DIABRO Cc1cc([C@H]([NH3+])c2ccccc2)cnc1N1CCc2ccccc21 ZINC000072222909 257123705 /nfs/dbraw/zinc/12/37/05/257123705.db2.gz FTMRSNVQJAHKAI-HXUWFJFHSA-N 1 0 315.420 4.132 40 0 DIABRO CCC[N@@H+]1CCCC[C@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219179 257124093 /nfs/dbraw/zinc/12/40/93/257124093.db2.gz RMTRZWIRCAXBTP-SFHVURJKSA-N 1 0 301.478 4.317 40 0 DIABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N2CCCCC2)nc1C ZINC000072219285 257124356 /nfs/dbraw/zinc/12/43/56/257124356.db2.gz KRQCJIKMNSACPN-GOSISDBHSA-N 1 0 301.478 4.317 40 0 DIABRO CCC[N@@H+]1CCCC[C@@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219238 257124481 /nfs/dbraw/zinc/12/44/81/257124481.db2.gz DJHAPLGMHCFJCY-GOSISDBHSA-N 1 0 301.478 4.317 40 0 DIABRO CCCC[N@@H+]1CCCC[C@@H]1c1cnc(N2CCCC2)cc1C ZINC000072218884 257124618 /nfs/dbraw/zinc/12/46/18/257124618.db2.gz WJONPTQEMHPACE-GOSISDBHSA-N 1 0 301.478 4.317 40 0 DIABRO c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(N3CCCC3)nc2)cc1 ZINC000072215912 257125142 /nfs/dbraw/zinc/12/51/42/257125142.db2.gz ITOXHFKFWQXLSE-IBGZPJMESA-N 1 0 307.441 4.019 40 0 DIABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216065 257125456 /nfs/dbraw/zinc/12/54/56/257125456.db2.gz IJFPYAXUXZNHSS-SFHVURJKSA-N 1 0 301.478 4.255 40 0 DIABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214322 257125807 /nfs/dbraw/zinc/12/58/07/257125807.db2.gz CAJFQOJBNCYODC-HNNXBMFYSA-N 1 0 319.449 4.222 40 0 DIABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2NC2CC2)cc1 ZINC000072213745 257125916 /nfs/dbraw/zinc/12/59/16/257125916.db2.gz ABIDYRCQQLPPFL-IBGZPJMESA-N 1 0 307.441 4.383 40 0 DIABRO CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[NH2+]1 ZINC000072214930 257126225 /nfs/dbraw/zinc/12/62/25/257126225.db2.gz WZXQEGHZRYHBLE-HNNXBMFYSA-N 1 0 319.449 4.046 40 0 DIABRO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[NH2+]1 ZINC000072215021 257126520 /nfs/dbraw/zinc/12/65/20/257126520.db2.gz HSZSPMAGUIHXRY-OAHLLOKOSA-N 1 0 319.449 4.048 40 0 DIABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC000072215082 257126548 /nfs/dbraw/zinc/12/65/48/257126548.db2.gz LZCRGBAWRYWLEX-ZFWWWQNUSA-N 1 0 319.449 4.046 40 0 DIABRO CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[NH2+]2)cn1 ZINC000072214691 257126703 /nfs/dbraw/zinc/12/67/03/257126703.db2.gz ZWVCTPSCZUKVOT-OAHLLOKOSA-N 1 0 319.449 4.048 40 0 DIABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212959 257126825 /nfs/dbraw/zinc/12/68/25/257126825.db2.gz XWJXGOHKTDZUNP-GOSISDBHSA-N 1 0 303.494 4.498 40 0 DIABRO CC(C)CNc1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072213244 257127323 /nfs/dbraw/zinc/12/73/23/257127323.db2.gz IJRARKQPHYQUJQ-LJQANCHMSA-N 1 0 309.457 4.487 40 0 DIABRO CC(=O)[C@@](CCc1ccccc1)(CC[NH+](C)C)c1ccccc1 ZINC000001577550 257231368 /nfs/dbraw/zinc/23/13/68/257231368.db2.gz HIGLEGFIFRRHOW-OAQYLSRUSA-N 1 0 309.453 4.098 40 0 DIABRO CCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1Cl ZINC000007262408 333003134 /nfs/dbraw/zinc/00/31/34/333003134.db2.gz VYLVAWWCZVDHPM-UHFFFAOYSA-N 1 0 319.832 4.427 40 0 DIABRO CCCCCC[C@@H](C(=O)c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000299817315 528148414 /nfs/dbraw/zinc/14/84/14/528148414.db2.gz TVTBLEFOUUDRBK-SFHVURJKSA-N 1 0 303.446 4.313 40 0 in-vitro DIABRO C[NH+](C)[C@H]1C[C@@](c2cccs2)(C2CCCCC2)CCC1=O ZINC000001577546 563285823 /nfs/dbraw/zinc/28/58/23/563285823.db2.gz KGFHLVDDNFZNTD-MAUKXSAKSA-N 1 0 305.487 4.249 40 0 DIABRO C[C@H](C[NH+]1CC2CCC(CC2)C1)C(=O)c1ccc(Cl)s1 ZINC000001615878 563288117 /nfs/dbraw/zinc/28/81/17/563288117.db2.gz QUOYCTBLNABMIY-PNESKVBLSA-N 1 0 311.878 4.342 40 0 DIABRO CCCCC[C@@H](C[NH+](C)C)[C@H](O)/C=C/c1ccccc1Cl ZINC000001635665 563288832 /nfs/dbraw/zinc/28/88/32/563288832.db2.gz JWECFDHHHFPOGP-VCDBLXLWSA-N 1 0 309.881 4.472 40 0 DIABRO CC[NH+](CC)CCC[C@@H](C)Nc1cc(OC)cc2cccnc21 ZINC000001655461 563289382 /nfs/dbraw/zinc/28/93/82/563289382.db2.gz QTQWMSOQOSJFBV-OAHLLOKOSA-N 1 0 315.461 4.166 40 0 in-man DIABRO CC[NH+](CC)CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000001689837 563291162 /nfs/dbraw/zinc/29/11/62/563291162.db2.gz YJYRZBZPJOXSJG-UHFFFAOYSA-N 1 0 311.473 4.257 40 0 DIABRO CCC[C@@H](C(=O)OCC[N@@H+]1C[C@H](C)CC1(C)C)C1CCCC1 ZINC000001688285 563291335 /nfs/dbraw/zinc/29/13/35/563291335.db2.gz SDCSZRGNRKNQRO-NVXWUHKLSA-N 1 0 309.494 4.257 40 0 DIABRO CCC[NH2+]CCCCCCNc1cc(OC)cc2cccnc21 ZINC000001733782 563294620 /nfs/dbraw/zinc/29/46/20/563294620.db2.gz JWNUULHXXQJOII-UHFFFAOYSA-N 1 0 315.461 4.215 40 0 DIABRO C[NH+](C)CCCN1c2ccccc2Sc2ccc(F)cc21 ZINC000001758743 563295111 /nfs/dbraw/zinc/29/51/11/563295111.db2.gz NZBCOAOFWKDSTP-UHFFFAOYSA-N 1 0 302.418 4.380 40 0 DIABRO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])c2c(Cl)cc(Cl)cc21 ZINC000002512911 563304995 /nfs/dbraw/zinc/30/49/95/563304995.db2.gz LDZWNGAENNODAS-JTQLQIEISA-N 1 0 317.216 4.138 40 0 DIABRO CC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000008227224 563345156 /nfs/dbraw/zinc/34/51/56/563345156.db2.gz KAZQPNCCNMJCCR-UHFFFAOYSA-N 1 0 320.230 4.138 40 0 DIABRO CCOc1ccc(C[NH2+]Cc2ccccc2Cl)cc1OCC ZINC000008324916 563345985 /nfs/dbraw/zinc/34/59/85/563345985.db2.gz BEQHLCCCEISDKI-UHFFFAOYSA-N 1 0 319.832 4.427 40 0 DIABRO Cc1ncc(C[N@@H+]2C[C@H](c3ccccc3)C3(C2)CCCCC3)n1C ZINC000012088119 563361830 /nfs/dbraw/zinc/36/18/30/563361830.db2.gz AGVUDOWUQDTDMZ-HXUWFJFHSA-N 1 0 323.484 4.278 40 0 DIABRO COc1ccc2[nH]cc([C@@H]3CC[N@H+](Cc4cccc(F)c4)C3)c2c1 ZINC000012329466 563366360 /nfs/dbraw/zinc/36/63/60/563366360.db2.gz UDDHOCQMIMZSLV-OAHLLOKOSA-N 1 0 324.399 4.305 40 0 DIABRO CCC[N@@H+]1C[C@@H](CSC)C[C@@H]2c3cccc4[nH]cc(c43)C[C@@H]21 ZINC000009214248 563401735 /nfs/dbraw/zinc/40/17/35/563401735.db2.gz YEHCICAEULNIGD-XCRHUMRWSA-N 1 0 314.498 4.271 40 0 DIABRO CC1CC[NH+](Cc2ccc(C(=O)N(C)c3ccccc3)cc2)CC1 ZINC000044910335 563464434 /nfs/dbraw/zinc/46/44/34/563464434.db2.gz QYDZWXUKDLQUMW-UHFFFAOYSA-N 1 0 322.452 4.195 40 0 DIABRO CC[NH2+][C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118935690 563594210 /nfs/dbraw/zinc/59/42/10/563594210.db2.gz ULMJJEKBONMJLW-BPSSIEEOSA-N 1 0 317.517 4.288 40 0 DIABRO Cc1cc(N2CCc3ccccc3C2)nc(Nc2ccccc2)n1 ZINC000244322794 563604524 /nfs/dbraw/zinc/60/45/24/563604524.db2.gz XJJZDYNTEIHWEF-UHFFFAOYSA-N 1 0 316.408 4.091 40 0 DIABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]C3CCCC3)o2)cc1 ZINC000007519774 563640263 /nfs/dbraw/zinc/64/02/63/563640263.db2.gz SDNFIIRSXSEJOT-UHFFFAOYSA-N 1 0 313.397 4.156 40 0 DIABRO CC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000008227187 563641609 /nfs/dbraw/zinc/64/16/09/563641609.db2.gz NPDUROZHNRFCLI-UHFFFAOYSA-N 1 0 305.805 4.037 40 0 DIABRO CC[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000008227253 563641673 /nfs/dbraw/zinc/64/16/73/563641673.db2.gz GLIUCQHZTAMCTE-UHFFFAOYSA-N 1 0 305.805 4.037 40 0 DIABRO CCOc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OC ZINC000008254363 563642170 /nfs/dbraw/zinc/64/21/70/563642170.db2.gz FBXOLEFOLSLSIV-UHFFFAOYSA-N 1 0 305.805 4.037 40 0 DIABRO COc1cc(C[NH2+]C2CCCC2)ccc1OCc1cccs1 ZINC000008472325 563642356 /nfs/dbraw/zinc/64/23/56/563642356.db2.gz QRMBTVVCBJJBHE-UHFFFAOYSA-N 1 0 317.454 4.368 40 0 DIABRO C[C@]12CC3CC([NH2+]Cc4ccc5c(c4)OCO5)(C1)C[C@@](C)(C3)C2 ZINC000008534536 563643409 /nfs/dbraw/zinc/64/34/09/563643409.db2.gz BPABADNJWGIMHO-LGMBCPCJSA-N 1 0 313.441 4.254 40 0 DIABRO C[NH2+]CCCNc1ccnc2c(Oc3ccccc3)cccc12 ZINC000222684132 563727403 /nfs/dbraw/zinc/72/74/03/563727403.db2.gz QPKYADVCLCCMSR-UHFFFAOYSA-N 1 0 307.397 4.049 40 0 DIABRO CC(C)(C)CC(C)(C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000224093923 563738988 /nfs/dbraw/zinc/73/89/88/563738988.db2.gz XMJSDQIRWSIKJM-UHFFFAOYSA-N 1 0 316.489 4.227 40 0 DIABRO Cc1cccc(Nc2cccc(C3CC[NH+](C(C)C)CC3)n2)n1 ZINC000257208414 563789780 /nfs/dbraw/zinc/78/97/80/563789780.db2.gz BMBHYKPWQFIKLV-UHFFFAOYSA-N 1 0 310.445 4.116 40 0 DIABRO CC(C)n1nccc1-c1cc(C2CC[NH+](C(C)C)CC2)ccn1 ZINC000257232393 563791588 /nfs/dbraw/zinc/79/15/88/563791588.db2.gz GKRYIJKLRXAZTG-UHFFFAOYSA-N 1 0 312.461 4.114 40 0 DIABRO C[NH+](C)CCCOc1ccccc1Oc1ccc(Cl)cc1 ZINC000003610756 563857031 /nfs/dbraw/zinc/85/70/31/563857031.db2.gz DDUFYHICIWUIEL-UHFFFAOYSA-N 1 0 305.805 4.463 40 0 DIABRO COc1ccccc1C[N@@H+]1CC[C@H](c2nc3cc(C)ccc3o2)C1 ZINC000035446498 563867039 /nfs/dbraw/zinc/86/70/39/563867039.db2.gz SLIQPCSSDRAHRW-INIZCTEOSA-N 1 0 322.408 4.134 40 0 biogenic,in-vitro DIABRO C[NH+]1CCC(=C2c3ccc(Cl)cc3Cc3cccnc32)CC1 ZINC000040434669 563923182 /nfs/dbraw/zinc/92/31/82/563923182.db2.gz NNDVYDVBJXVVHS-UHFFFAOYSA-N 1 0 310.828 4.167 40 0 DIABRO COc1cc(C[NH2+][C@H]2CCSc3ccccc32)cc(OC)c1 ZINC000008329006 563947998 /nfs/dbraw/zinc/94/79/98/563947998.db2.gz RKASSCYNURAJEG-KRWDZBQOSA-N 1 0 315.438 4.031 40 0 DIABRO CCOc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Cl)c1OC ZINC000007538070 568412432 /nfs/dbraw/zinc/41/24/32/568412432.db2.gz SRBITVMTOPNDMR-UHFFFAOYSA-N 1 0 319.832 4.346 40 0 DIABRO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000227109486 1052127029 /nfs/dbraw/zinc/12/70/29/1052127029.db2.gz VUEZNONIYWVUJQ-IAGOWNOFSA-N 1 0 322.452 4.413 40 0 DIABRO O[C@H]1CCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC001547139791 1058238697 /nfs/dbraw/zinc/23/86/97/1058238697.db2.gz ASUIJTQOWIPBJV-LRSLUSHPSA-N 1 0 321.464 4.206 40 0 DIABRO CC(C)[NH+]1CCC(O)(c2ccc(Oc3ccccc3)cc2)CC1 ZINC000079030441 185147531 /nfs/dbraw/zinc/14/75/31/185147531.db2.gz CVJPPNVGQUIBOP-UHFFFAOYSA-N 1 0 311.425 4.171 40 0 DIABRO CC[C@@H](c1ccc(OCC[NH3+])cc1)[C@H](CC)c1ccc(O)cc1 ZINC000001591273 180876481 /nfs/dbraw/zinc/87/64/81/180876481.db2.gz OPCKIVCLTXGHRZ-UXHICEINSA-N 1 0 313.441 4.417 40 0 DIABRO CC[NH+](CC)CCOC(=O)[C@]1(C2CCCCC2)CC=CCC1 ZINC000004896168 181169088 /nfs/dbraw/zinc/16/90/88/181169088.db2.gz FXXLEWYHZLZWQG-LJQANCHMSA-N 1 0 307.478 4.178 40 0 DIABRO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@H](C)C1 ZINC000004897847 181170457 /nfs/dbraw/zinc/17/04/57/181170457.db2.gz VUEZNONIYWVUJQ-IRXDYDNUSA-N 1 0 322.452 4.413 40 0 DIABRO C[C@H]1C[NH+](C[C@@H]2CCCCCCCCCCC2=O)C[C@H](C)O1 ZINC000005328329 181229675 /nfs/dbraw/zinc/22/96/75/181229675.db2.gz KSYWAODCCAPCLX-BZSNNMDCSA-N 1 0 309.494 4.196 40 0 DIABRO CCc1ncc([C@@](C)(O)c2ccc(C)cc2)n1Cc1ccccc1 ZINC000005502423 181250324 /nfs/dbraw/zinc/25/03/24/181250324.db2.gz GHYMSNSQIZIJJD-NRFANRHFSA-N 1 0 320.436 4.058 40 0 DIABRO CCC[NH2+]CCCC[C@H](C)Nc1cc(OC)cc2cccnc21 ZINC000005422035 181242360 /nfs/dbraw/zinc/24/23/60/181242360.db2.gz SIJRFQQXFFREFR-HNNXBMFYSA-N 1 0 315.461 4.214 40 0 DIABRO CCc1cc(C[NH+]2CCCC2)c(NC(=O)c2ccccc2)s1 ZINC000005677846 181271594 /nfs/dbraw/zinc/27/15/94/181271594.db2.gz CSVGXSMOURGNQD-UHFFFAOYSA-N 1 0 314.454 4.159 40 0 DIABRO CCCC(CCC)[NH2+]CCOC(=O)[C@@H](CC)c1ccccc1 ZINC000005972868 181302767 /nfs/dbraw/zinc/30/27/67/181302767.db2.gz RELYJPKUNBLODF-SFHVURJKSA-N 1 0 305.462 4.282 40 0 DIABRO COc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@@H+](CC1CC1)CC3 ZINC000006411824 181339059 /nfs/dbraw/zinc/33/90/59/181339059.db2.gz PSWCBSBDTUQQIX-HMXCVIKNSA-N 1 0 311.469 4.164 40 0 DIABRO CC[N@@H+]1CCC[C@@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@@]4(C)O)[C@@H]3CC[C@H]12 ZINC000006438639 181341329 /nfs/dbraw/zinc/34/13/29/181341329.db2.gz NZOLRXNSWUPNDS-OCZHUQCSSA-N 1 0 319.533 4.464 40 0 DIABRO NC(=[NH2+])S[C@@H]1c2ccccc2-c2ccc(Br)cc21 ZINC000006582878 181357009 /nfs/dbraw/zinc/35/70/09/181357009.db2.gz NQTNUAIGIMSAQY-CYBMUJFWSA-N 1 0 319.227 4.146 40 0 DIABRO c1csc(CO[C@@H](C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000006582094 181356692 /nfs/dbraw/zinc/35/66/92/181356692.db2.gz QWEQTGGAXPDBJB-SFHVURJKSA-N 1 0 301.455 4.492 40 0 DIABRO CCCC[C@H](CC)CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000224094218 201669361 /nfs/dbraw/zinc/66/93/61/201669361.db2.gz XIXAPYMHYNDPAS-KRWDZBQOSA-N 1 0 316.489 4.229 40 0 DIABRO Fc1ccc2[nH]cc(CC[NH2+]Cc3ccc4[nH]ccc4c3)c2c1 ZINC000015424210 182001643 /nfs/dbraw/zinc/00/16/43/182001643.db2.gz DMGTTZTWEOGSNB-UHFFFAOYSA-N 1 0 307.372 4.121 40 0 DIABRO CC(C)[NH2+]CC(C)(C)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000019363886 182119005 /nfs/dbraw/zinc/11/90/05/182119005.db2.gz ZLCYZVOOTXAXCK-HXUWFJFHSA-N 1 0 310.485 4.337 40 0 DIABRO Cc1c2ccccc2[nH]c1-c1cncn1CCC[NH+]1CCCCC1 ZINC000019719637 182138420 /nfs/dbraw/zinc/13/84/20/182138420.db2.gz NTPNTMBLGOKXCW-UHFFFAOYSA-N 1 0 322.456 4.216 40 0 DIABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000020490340 182223634 /nfs/dbraw/zinc/22/36/34/182223634.db2.gz VBCDWYNUVUSLHX-FQEVSTJZSA-N 1 0 322.452 4.164 40 0 DIABRO [NH3+][C@H](c1ccccc1)c1ccc(N2CCCc3ccccc32)nc1 ZINC000072225796 257123804 /nfs/dbraw/zinc/12/38/04/257123804.db2.gz VQWSTYMVPSIJGD-OAQYLSRUSA-N 1 0 315.420 4.214 40 0 DIABRO Cc1cc(N2CCCC2)ncc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072218883 257124137 /nfs/dbraw/zinc/12/41/37/257124137.db2.gz LCDKXHMOMIZHNS-GOSISDBHSA-N 1 0 301.478 4.173 40 0 DIABRO Cc1cc(N2CCCCC2)ncc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072219223 257124377 /nfs/dbraw/zinc/12/43/77/257124377.db2.gz ZUNJJXVLVBBIJK-SFHVURJKSA-N 1 0 301.478 4.173 40 0 DIABRO CCCC[N@@H+]1CCCC[C@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218825 257124422 /nfs/dbraw/zinc/12/44/22/257124422.db2.gz GKUPEHDCTKWABG-SFHVURJKSA-N 1 0 301.478 4.317 40 0 DIABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216124 257125687 /nfs/dbraw/zinc/12/56/87/257125687.db2.gz SSJUQJGJGIFECR-GOSISDBHSA-N 1 0 301.478 4.255 40 0 DIABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214339 257125953 /nfs/dbraw/zinc/12/59/53/257125953.db2.gz SYWXQAFQJAWZAY-HNNXBMFYSA-N 1 0 319.449 4.364 40 0 DIABRO CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214399 257126421 /nfs/dbraw/zinc/12/64/21/257126421.db2.gz KIPOZSXTLANQLJ-HNNXBMFYSA-N 1 0 319.449 4.364 40 0 DIABRO CC(C)CNc1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072213243 257127015 /nfs/dbraw/zinc/12/70/15/257127015.db2.gz IJRARKQPHYQUJQ-IBGZPJMESA-N 1 0 309.457 4.487 40 0 DIABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213020 257127159 /nfs/dbraw/zinc/12/71/59/257127159.db2.gz HXTHWRQNVYJQKN-SFHVURJKSA-N 1 0 303.494 4.498 40 0 DIABRO CCOc1cc2[nH+]ccc(Nc3cccc(N)c3)c2cc1OCC ZINC000064875382 257128348 /nfs/dbraw/zinc/12/83/48/257128348.db2.gz DQEWAPVTEQFMMD-UHFFFAOYSA-N 1 0 323.396 4.358 40 0 DIABRO CCCCCC[NH2+]Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000007261053 333002951 /nfs/dbraw/zinc/00/29/51/333002951.db2.gz MQAMIMGFJYJKMW-UHFFFAOYSA-N 1 0 315.413 4.403 40 0 DIABRO CC(C)C[NH+]1CCC2(CCc3ncc(-c4ccccc4)n3C2)CC1 ZINC000306144307 527963790 /nfs/dbraw/zinc/96/37/90/527963790.db2.gz ZBYWBGPAXIJARD-UHFFFAOYSA-N 1 0 323.484 4.235 40 0 DIABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nc4cc(C)ccc4o3)C2)cc1 ZINC000049168839 560084809 /nfs/dbraw/zinc/08/48/09/560084809.db2.gz LNDVLXOYJKMPJD-KRWDZBQOSA-N 1 0 306.409 4.434 40 0 biogenic,in-vitro DIABRO Cc1ccc2c(=O)c(C[N@@H+](C)C3CCCCC3)c(C)[nH]c2c1C ZINC000000099510 563217038 /nfs/dbraw/zinc/21/70/38/563217038.db2.gz PDOWJGFXBZAORY-UHFFFAOYSA-N 1 0 312.457 4.218 40 0 DIABRO O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000001543423 563284605 /nfs/dbraw/zinc/28/46/05/563284605.db2.gz QOTDIUAVPXJUEG-MRXNPFEDSA-N 1 0 303.298 4.047 40 0 DIABRO O=C(c1ccccc1)[C@H]1C[N@@H+](C2CCCC2)[C@@H]1c1ccccc1 ZINC000001557504 563284900 /nfs/dbraw/zinc/28/49/00/563284900.db2.gz DYOADTOJACZXAL-VQTJNVASSA-N 1 0 305.421 4.485 40 0 DIABRO O[C@@](CC[NH+]1CCCCCC1)(Cc1ccccc1)c1ccccc1 ZINC000001615892 563288010 /nfs/dbraw/zinc/28/80/10/563288010.db2.gz WQEUYXOZRDYRAH-QFIPXVFZSA-N 1 0 323.480 4.383 40 0 DIABRO OC(CC[NH+]1CCCCCC1)(c1ccccc1)c1ccccc1 ZINC000001615792 563288107 /nfs/dbraw/zinc/28/81/07/563288107.db2.gz AWBOVRMRZADVEY-UHFFFAOYSA-N 1 0 309.453 4.189 40 0 DIABRO C[NH2+][C@H](C)[C@@H](Nc1cc(OC)cc2cccnc21)c1ccccc1 ZINC000001656112 563289273 /nfs/dbraw/zinc/28/92/73/563289273.db2.gz LNRSSOUKXAJCEX-AUUYWEPGSA-N 1 0 321.424 4.005 40 0 DIABRO CCC[NH2+]CCCC[C@@H](C)Nc1cc(OC)cc2cccnc21 ZINC000001666880 563289722 /nfs/dbraw/zinc/28/97/22/563289722.db2.gz SIJRFQQXFFREFR-OAHLLOKOSA-N 1 0 315.461 4.214 40 0 DIABRO CC[NH+](CC)CC(C)(C)[C@H](O)c1ccc(OC)c2ccccc21 ZINC000001706376 563292475 /nfs/dbraw/zinc/29/24/75/563292475.db2.gz CFLLSOPLOOHFGY-LJQANCHMSA-N 1 0 315.457 4.250 40 0 DIABRO CCCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000002495717 563304700 /nfs/dbraw/zinc/30/47/00/563304700.db2.gz MRZPUHWOCOJGFJ-QGZVFWFLSA-N 1 0 302.462 4.205 40 0 DIABRO CC(C)[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000031628048 563337223 /nfs/dbraw/zinc/33/72/23/563337223.db2.gz NZGPVVILHDQKBZ-GOSISDBHSA-N 1 0 303.833 4.284 40 0 DIABRO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@H+]1Cc1cccc2ccccc21 ZINC000012186450 563363728 /nfs/dbraw/zinc/36/37/28/563363728.db2.gz SHQYWKYPVMUKHC-LAUBAEHRSA-N 1 0 315.420 4.200 40 0 DIABRO CCCC[NH+](CCCC)CCCOc1ccc(C(=O)OC)cc1 ZINC000033978384 563446237 /nfs/dbraw/zinc/44/62/37/563446237.db2.gz LGPWAAYOCNWIEI-UHFFFAOYSA-N 1 0 321.461 4.144 40 0 in-vitro DIABRO Clc1cccc(N2CC[NH+](C3=Cc4ccccc4CC3)CC2)c1 ZINC000055145577 563471917 /nfs/dbraw/zinc/47/19/17/563471917.db2.gz AAMNKQJJOSEMRT-UHFFFAOYSA-N 1 0 324.855 4.449 40 0 DIABRO COc1ccc(C[NH+]2CCC3(CCc4ccc(C)cc43)CC2)cc1 ZINC000096052546 563532254 /nfs/dbraw/zinc/53/22/54/563532254.db2.gz DHRGWGIWVUSSBJ-UHFFFAOYSA-N 1 0 321.464 4.484 40 0 DIABRO C[N@@H+]1[C@@H](c2ccccc2)[C@H]2CCC[C@H]([C@H]2O)[C@H]1c1ccccc1 ZINC000100745666 563553224 /nfs/dbraw/zinc/55/32/24/563553224.db2.gz VOVYUVZGDORCCG-GCFHALSMSA-N 1 0 307.437 4.192 40 0 DIABRO c1ccc(CNc2cc(-c3ccccc3)nc(NC3CC3)n2)cc1 ZINC000243948897 563604302 /nfs/dbraw/zinc/60/43/02/563604302.db2.gz RXWSVOAXBIWMIH-UHFFFAOYSA-N 1 0 316.408 4.330 40 0 DIABRO COc1ccc(-c2nc3ccccn3c2NC2CCCC2)cc1O ZINC000000417883 563608757 /nfs/dbraw/zinc/60/87/57/563608757.db2.gz UQWQFRARGXGMHQ-UHFFFAOYSA-N 1 0 323.396 4.070 40 0 DIABRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000000568264 563631163 /nfs/dbraw/zinc/63/11/63/563631163.db2.gz APBYICBCDMZMTO-UHFFFAOYSA-N 1 0 316.832 4.434 40 0 DIABRO CC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000008227234 563641538 /nfs/dbraw/zinc/64/15/38/563641538.db2.gz GKKMRJSYHCNMGW-UHFFFAOYSA-N 1 0 323.795 4.176 40 0 DIABRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)o1)[C@H](O)c1ccccc1 ZINC000022076472 563713756 /nfs/dbraw/zinc/71/37/56/563713756.db2.gz PZQNNDCAUSTISI-QRWLVFNGSA-N 1 0 307.393 4.158 40 0 DIABRO C[C@]12C[C@@H](c3ccccc3Br)[NH2+][C@H]1CCCCC2=O ZINC000218903378 563717826 /nfs/dbraw/zinc/71/78/26/563717826.db2.gz MJRDMYKOVRQYLA-DZKIICNBSA-N 1 0 322.246 4.002 40 0 biogenic DIABRO CCNc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C2CC2)[nH+]1 ZINC000329061269 563833890 /nfs/dbraw/zinc/83/38/90/563833890.db2.gz WPZJVBAJISDCTN-UHFFFAOYSA-N 1 0 322.456 4.084 40 0 DIABRO Cc1[nH]c2ccccc2c1[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000028466924 563842707 /nfs/dbraw/zinc/84/27/07/563842707.db2.gz SEMHWXKEVPSYOZ-NRFANRHFSA-N 1 0 320.436 4.206 40 0 DIABRO Brc1ccc([C@@H]2C[C@@H]2C[NH+]2CCCCCC2)cc1 ZINC000575422434 563857140 /nfs/dbraw/zinc/85/71/40/563857140.db2.gz FYRVMKCNYFMBEZ-ZBFHGGJFSA-N 1 0 308.263 4.429 40 0 DIABRO CCOc1ccc(Cl)cc1C[NH2+]Cc1ccc(OC)cc1 ZINC000007538497 568412420 /nfs/dbraw/zinc/41/24/20/568412420.db2.gz XIKDDWHXLBTDKB-UHFFFAOYSA-N 1 0 305.805 4.037 40 0 DIABRO Cc1ccc(-[n+]2cc(-c3cccs3)n3c2SCCC3)cc1 ZINC000027788714 1056056939 /nfs/dbraw/zinc/05/69/39/1056056939.db2.gz XSKIZMMIFXYNGO-UHFFFAOYSA-N 1 0 313.471 4.298 40 0 DIABRO CCCC[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2 ZINC000006853936 1056062127 /nfs/dbraw/zinc/06/21/27/1056062127.db2.gz AITNECAKVUJGOV-UHFFFAOYSA-N 1 0 310.248 4.496 40 0 DIABRO O[C@H]1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC001547139796 1058237886 /nfs/dbraw/zinc/23/78/86/1058237886.db2.gz ASUIJTQOWIPBJV-CMOCDZPBSA-N 1 0 321.464 4.206 40 0 DIABRO O[C@]12C[C@@H](c3ccccc3)[N@H+](Cc3ccccc3)[C@H]1CCCC2 ZINC001547139826 1058238547 /nfs/dbraw/zinc/23/85/47/1058238547.db2.gz RIWFQVVQINEPLK-PCCBWWKXSA-N 1 0 307.437 4.307 40 0 DIABRO CC(C)(C)c1ccc(-c2nnc([C@@H]([NH3+])Cc3ccccc3)[nH]2)cc1 ZINC000095534909 185379432 /nfs/dbraw/zinc/37/94/32/185379432.db2.gz KAGMCURQTJEWAJ-KRWDZBQOSA-N 1 0 320.440 4.012 40 0 DIABRO C[C@@H](c1cccs1)[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000072203839 191076475 /nfs/dbraw/zinc/07/64/75/191076475.db2.gz SPRLIMZPAMKGDN-ZDUSSCGKSA-N 1 0 324.490 4.046 40 0 DIABRO FC(F)(F)c1cccc(-c2cccc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000072348391 191127352 /nfs/dbraw/zinc/12/73/52/191127352.db2.gz LSTAQZDIWJPKQC-CYBMUJFWSA-N 1 0 306.331 4.234 40 0 DIABRO FC(F)(F)c1ccc(Cc2cccc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000072348408 191127146 /nfs/dbraw/zinc/12/71/46/191127146.db2.gz CAEPBRBHYYGFKD-AWEZNQCLSA-N 1 0 320.358 4.158 40 0 DIABRO Cc1cccc(C[N@@H+]2CC[C@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000072369823 191139561 /nfs/dbraw/zinc/13/95/61/191139561.db2.gz DFHAPSPYMYCGNI-SFHVURJKSA-N 1 0 319.408 4.035 40 0 DIABRO O=C(CC[NH+]1CCCC1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000001651135 180884300 /nfs/dbraw/zinc/88/43/00/180884300.db2.gz LTSPJTBUKVYDFH-UHFFFAOYSA-N 1 0 313.372 4.287 40 0 DIABRO CC[NH+](CC)CCC[C@H](C)Nc1cc(F)cc2cccnc21 ZINC000001673363 180886444 /nfs/dbraw/zinc/88/64/44/180886444.db2.gz HKYFPDWAVXLTMJ-AWEZNQCLSA-N 1 0 303.425 4.296 40 0 DIABRO CC[NH+](CC)CCCCCNc1cc(OC)cc2cccnc21 ZINC000001685575 180887773 /nfs/dbraw/zinc/88/77/73/180887773.db2.gz QTADMYARJLATGX-UHFFFAOYSA-N 1 0 315.461 4.167 40 0 DIABRO CC[NH+](CC)CCCNc1cc(OC)c(Cl)c2cccnc12 ZINC000001733774 180893165 /nfs/dbraw/zinc/89/31/65/180893165.db2.gz MFNXIWIVXFIUSK-UHFFFAOYSA-N 1 0 321.852 4.041 40 0 DIABRO CC(C)c1ccccc1OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000002694336 180947577 /nfs/dbraw/zinc/94/75/77/180947577.db2.gz MXLQQVUOBRCPCA-MRXNPFEDSA-N 1 0 321.505 4.354 40 0 DIABRO CC(C)[N@H+](C)CCOC(=O)[C@@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000004692034 181137595 /nfs/dbraw/zinc/13/75/95/181137595.db2.gz KAYIKQQQTHUULM-OALUTQOASA-N 1 0 315.457 4.010 40 0 DIABRO C=C(c1ccccc1)[n+]1ccc(/C=C/c2ccccc2O)cc1 ZINC000004903993 181170762 /nfs/dbraw/zinc/17/07/62/181170762.db2.gz VEJASOVVJQXRJK-UHFFFAOYSA-O 1 0 300.381 4.369 40 0 DIABRO CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2c(OC)cccc12 ZINC000005561608 181257925 /nfs/dbraw/zinc/25/79/25/181257925.db2.gz OEXGNZQIKVUSNR-OAHLLOKOSA-N 1 0 315.461 4.166 40 0 DIABRO CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)cnc21 ZINC000005807597 181285903 /nfs/dbraw/zinc/28/59/03/181285903.db2.gz BQVDVWSLPFXJQB-CYBMUJFWSA-N 1 0 320.868 4.206 40 0 DIABRO COc1cc(N[C@@H](C)CCC[NH2+]C(C)C)c2nccc(C)c2c1 ZINC000005931487 181296986 /nfs/dbraw/zinc/29/69/86/181296986.db2.gz KLAQASCBCFSTSS-HNNXBMFYSA-N 1 0 315.461 4.130 40 0 DIABRO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3[C@@H]1CC=C(C)C[C@@H]1C ZINC000005954633 181300726 /nfs/dbraw/zinc/30/07/26/181300726.db2.gz SSBXMBLMSWKYIH-OHNRDTAOSA-N 1 0 310.441 4.356 40 0 DIABRO NC1=[NH+]N(c2ccc(Cl)cc2Cl)[C@H](c2ccc(F)cc2)C1 ZINC000222548392 201613262 /nfs/dbraw/zinc/61/32/62/201613262.db2.gz KEXDTMJKRURDGT-AWEZNQCLSA-N 1 0 324.186 4.356 40 0 DIABRO Fc1cccc(N[C@H]2CCC[NH2+][C@H]2Cc2cccc(Cl)c2)c1 ZINC000257206582 202943212 /nfs/dbraw/zinc/94/32/12/202943212.db2.gz BECKVLWVUWDSEO-ROUUACIJSA-N 1 0 318.823 4.254 40 0 DIABRO COc1ccc([C@H]2[C@H]([NH2+]Cc3ccncc3C)[C@H]3CCC[C@@H]32)cc1 ZINC000019239539 182110632 /nfs/dbraw/zinc/11/06/32/182110632.db2.gz UROATCKCVJSPEU-UWHLTILDSA-N 1 0 322.452 4.071 40 0 DIABRO COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2ccncc2)cc1 ZINC000019557613 182129911 /nfs/dbraw/zinc/12/99/11/182129911.db2.gz YGWJEVISINCSQM-TUFLPTIASA-N 1 0 322.452 4.152 40 0 DIABRO C[NH+](C)Cc1c(N)nc2ccc(Cl)cc2c1-c1ccccc1 ZINC000020506692 182226069 /nfs/dbraw/zinc/22/60/69/182226069.db2.gz ASHMGMPTNNCDMS-UHFFFAOYSA-N 1 0 311.816 4.199 40 0 DIABRO COc1ccc(CC[NH2+]Cc2c(Cl)cccc2Cl)cc1 ZINC000021016084 182260445 /nfs/dbraw/zinc/26/04/45/182260445.db2.gz GFLFDUALEIMJJZ-UHFFFAOYSA-N 1 0 310.224 4.334 40 0 DIABRO [NH3+][C@H](c1ccccc1)[C@H]1[C@H](c2ccccc2)N1C1CCCCC1 ZINC000022588085 182327603 /nfs/dbraw/zinc/32/76/03/182327603.db2.gz QHUYQHXMNCGJAS-NSRDPVEOSA-N 1 0 306.453 4.445 40 0 DIABRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000038833326 183010977 /nfs/dbraw/zinc/01/09/77/183010977.db2.gz WGMALTLQSNSRMZ-IBGZPJMESA-N 1 0 322.452 4.154 40 0 DIABRO Cc1ccc(C)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000038833387 183011006 /nfs/dbraw/zinc/01/10/06/183011006.db2.gz NTCYHJWWOQSGPU-IBGZPJMESA-N 1 0 322.452 4.154 40 0 DIABRO Cc1cc(C)cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000038833514 183011129 /nfs/dbraw/zinc/01/11/29/183011129.db2.gz SCFSGVCFQDFUKE-LJQANCHMSA-N 1 0 322.452 4.154 40 0 DIABRO Cc1cccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000038833258 183011417 /nfs/dbraw/zinc/01/14/17/183011417.db2.gz MYIBXJLOBUAZST-KRWDZBQOSA-N 1 0 322.452 4.479 40 0 DIABRO CCc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000038835253 183011599 /nfs/dbraw/zinc/01/15/99/183011599.db2.gz XYTGMXVEBILDJI-IBGZPJMESA-N 1 0 322.452 4.100 40 0 DIABRO O=N[C@H](c1cccs1)/C1=C/CC[NH2+]C/C(C(F)(F)F)=C\C1 ZINC000064220318 184293288 /nfs/dbraw/zinc/29/32/88/184293288.db2.gz XYXVVZDACNDEDH-WVGNJTISSA-N 1 0 316.348 4.354 40 0 DIABRO Cc1cc([C@H]([NH3+])c2ccccc2)cnc1N(C)Cc1ccccc1 ZINC000072222366 257123156 /nfs/dbraw/zinc/12/31/56/257123156.db2.gz CIKVFEOMBBNIHE-HXUWFJFHSA-N 1 0 317.436 4.075 40 0 DIABRO Cc1cc(OCc2ccccc2)ncc1[C@@H]([NH3+])c1ccccc1 ZINC000072223433 257123420 /nfs/dbraw/zinc/12/34/20/257123420.db2.gz ZTQAODVPWMLSGE-FQEVSTJZSA-N 1 0 304.393 4.017 40 0 DIABRO Cc1nc(OCc2ccccc2)ccc1[C@H]([NH3+])c1ccccc1 ZINC000072224474 257123528 /nfs/dbraw/zinc/12/35/28/257123528.db2.gz NEYPIGSIWFNNEN-HXUWFJFHSA-N 1 0 304.393 4.017 40 0 DIABRO Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1N(C)c1ccccc1 ZINC000072222313 257123819 /nfs/dbraw/zinc/12/38/19/257123819.db2.gz XITCQCZZTWDLSJ-IBGZPJMESA-N 1 0 303.409 4.206 40 0 DIABRO CCCC[N@@H+]1CCC[C@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219166 257124163 /nfs/dbraw/zinc/12/41/63/257124163.db2.gz ZIQHDBYDGUAYJJ-SFHVURJKSA-N 1 0 301.478 4.317 40 0 DIABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCC2)nc1C ZINC000072218944 257124369 /nfs/dbraw/zinc/12/43/69/257124369.db2.gz WLCPRJDGRUXGOM-GOSISDBHSA-N 1 0 301.478 4.317 40 0 DIABRO Cc1cc(N(C)C)ncc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072218706 257124382 /nfs/dbraw/zinc/12/43/82/257124382.db2.gz QZJFAOJKHNTLPZ-IBGZPJMESA-N 1 0 309.457 4.183 40 0 DIABRO Cc1nc(N2CCCCC2)ccc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072219283 257124455 /nfs/dbraw/zinc/12/44/55/257124455.db2.gz FSIJZPGHWNTXAP-SFHVURJKSA-N 1 0 301.478 4.173 40 0 DIABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216647 257124753 /nfs/dbraw/zinc/12/47/53/257124753.db2.gz JRBULOBJZDXWEY-GOSISDBHSA-N 1 0 301.478 4.399 40 0 DIABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216127 257124965 /nfs/dbraw/zinc/12/49/65/257124965.db2.gz QHQSVDNWQVMUKM-SFHVURJKSA-N 1 0 301.478 4.399 40 0 DIABRO c1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2N2CCCCC2)cc1 ZINC000072216092 257125236 /nfs/dbraw/zinc/12/52/36/257125236.db2.gz AANDTDZMPOIEJR-FQEVSTJZSA-N 1 0 321.468 4.409 40 0 DIABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214398 257126054 /nfs/dbraw/zinc/12/60/54/257126054.db2.gz KIPOZSXTLANQLJ-OAHLLOKOSA-N 1 0 319.449 4.364 40 0 DIABRO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[NH2+]1 ZINC000072214751 257126328 /nfs/dbraw/zinc/12/63/28/257126328.db2.gz YHEHKEDGQCHJQT-OAHLLOKOSA-N 1 0 319.449 4.048 40 0 DIABRO CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[NH2+]2)cn1 ZINC000072214870 257126376 /nfs/dbraw/zinc/12/63/76/257126376.db2.gz KRQCRXJQUVJVBG-HNNXBMFYSA-N 1 0 319.449 4.046 40 0 DIABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214321 257126442 /nfs/dbraw/zinc/12/64/42/257126442.db2.gz CAJFQOJBNCYODC-OAHLLOKOSA-N 1 0 319.449 4.222 40 0 DIABRO CCN(CC)c1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072212886 257126889 /nfs/dbraw/zinc/12/68/89/257126889.db2.gz VTZBYLVEMSRNGK-LJQANCHMSA-N 1 0 309.457 4.265 40 0 DIABRO O=C(C[NH+](C1CCCCC1)C1CCCCC1)Nc1nccs1 ZINC000097074554 333489294 /nfs/dbraw/zinc/48/92/94/333489294.db2.gz SOARUZCYFZQCRU-UHFFFAOYSA-N 1 0 321.490 4.049 40 0 DIABRO CCCC[N@@H+]1CC[C@H](CNc2ccnc3cc(Cl)ccc32)C1 ZINC000001672562 563290715 /nfs/dbraw/zinc/29/07/15/563290715.db2.gz POCBOQIQIWTVTO-CQSZACIVSA-N 1 0 317.864 4.422 40 0 DIABRO CCCC[NH2+]CCCCCNc1cc(OC)cc2cccnc21 ZINC000001684908 563291276 /nfs/dbraw/zinc/29/12/76/563291276.db2.gz UEZUXHLOQXECHD-UHFFFAOYSA-N 1 0 315.461 4.215 40 0 DIABRO CC[NH+](CC)[C@@H](C)[C@@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000001687281 563291460 /nfs/dbraw/zinc/29/14/60/563291460.db2.gz OJOOGONWKGNBDZ-YCRPNKLZSA-N 1 0 311.469 4.482 40 0 DIABRO CCC[C@@H](C(=O)OCC[NH2+]C1CCCCC1)c1ccccc1 ZINC000001710530 563292387 /nfs/dbraw/zinc/29/23/87/563292387.db2.gz QFIRHCSZZJFCBV-GOSISDBHSA-N 1 0 303.446 4.036 40 0 DIABRO CC(=O)OC1C[C@H](c2ccccc2)[NH+](C)[C@@H](c2ccccc2)C1 ZINC000001719801 563293122 /nfs/dbraw/zinc/29/31/22/563293122.db2.gz OBNUWEBINMHPGX-WOJBJXKFSA-N 1 0 309.409 4.126 40 0 DIABRO CC[N@H+](C[C@H](O)COc1ccccc1C(C)C)C1CCCCC1 ZINC000002694375 563311198 /nfs/dbraw/zinc/31/11/98/563311198.db2.gz BQMPECYWPWRCHF-SFHVURJKSA-N 1 0 319.489 4.204 40 0 DIABRO CCCC[NH2+]Cc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000007261679 563337207 /nfs/dbraw/zinc/33/72/07/563337207.db2.gz XOAFHRJSJPNMHI-UHFFFAOYSA-N 1 0 313.441 4.472 40 0 DIABRO CCCC[NH2+]Cc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000007261682 563337220 /nfs/dbraw/zinc/33/72/20/563337220.db2.gz YVQVOHSPKXVRGY-UHFFFAOYSA-N 1 0 313.441 4.472 40 0 DIABRO COc1cccc(C[NH2+]C2CCCC2)c1OCc1ccccc1 ZINC000008495482 563347229 /nfs/dbraw/zinc/34/72/29/563347229.db2.gz FXPPGNBPEPXFHD-UHFFFAOYSA-N 1 0 311.425 4.306 40 0 DIABRO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])c2c(Cl)cc(Cl)cc21 ZINC000012647689 563372588 /nfs/dbraw/zinc/37/25/88/563372588.db2.gz LDZWNGAENNODAS-SNVBAGLBSA-N 1 0 317.216 4.138 40 0 DIABRO O=C(c1ccccc1)[C@@H]([NH2+]CCc1ccccc1)c1ccccc1 ZINC000031702870 563440343 /nfs/dbraw/zinc/44/03/43/563440343.db2.gz GNJJDOMUTKENFI-NRFANRHFSA-N 1 0 315.416 4.443 40 0 DIABRO Oc1ccc([C@@H](Cc2ccccc2)[NH2+]Cc2ccccc2)cc1 ZINC000031962204 563441450 /nfs/dbraw/zinc/44/14/50/563441450.db2.gz HBHRPCSKQCIYPB-OAQYLSRUSA-N 1 0 303.405 4.466 40 0 DIABRO O[C@@H](C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccccc1 ZINC000032131001 563441894 /nfs/dbraw/zinc/44/18/94/563441894.db2.gz ZXPLMKPRHWPRMQ-QFIPXVFZSA-N 1 0 317.432 4.422 40 0 DIABRO CC[C@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2CC2CCCCC2)CC1 ZINC000585100300 563516759 /nfs/dbraw/zinc/51/67/59/563516759.db2.gz JVUXNZYQENGYRY-PXNSSMCTSA-N 1 0 320.521 4.212 40 0 DIABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000585182392 563525369 /nfs/dbraw/zinc/52/53/69/563525369.db2.gz GZDBYDFKBAOWAT-QGZVFWFLSA-N 1 0 302.393 4.197 40 0 DIABRO c1ccc(CN2C[C@@H](c3ccccc3)[C@@H]3[NH2+]CCCCC[C@H]32)cc1 ZINC000095951725 563531260 /nfs/dbraw/zinc/53/12/60/563531260.db2.gz YBFQLLYYUCFUQM-BDTNDASRSA-N 1 0 320.480 4.187 40 0 DIABRO C[N@@H+]1CCC[C@H]1CCOc1cc(F)ccc1Oc1ccccc1 ZINC000585266206 563537294 /nfs/dbraw/zinc/53/72/94/563537294.db2.gz KSWWHNZKVUBNMV-INIZCTEOSA-N 1 0 315.388 4.481 40 0 DIABRO CC(C)(C)c1ccc2[nH]c(=O)c(C[NH2+]Cc3ccccc3)cc2c1 ZINC000013998554 563549569 /nfs/dbraw/zinc/54/95/69/563549569.db2.gz XHQNRUZJHLELRV-UHFFFAOYSA-N 1 0 320.436 4.115 40 0 DIABRO c1csc([C@@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)n1 ZINC000127598227 563604555 /nfs/dbraw/zinc/60/45/55/563604555.db2.gz HNGCKCSTRXPZQO-MRXNPFEDSA-N 1 0 309.438 4.071 40 0 DIABRO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000000411474 563611422 /nfs/dbraw/zinc/61/14/22/563611422.db2.gz LEMNCDPTRIEGFF-VQIMIIECSA-N 1 0 322.452 4.460 40 0 DIABRO C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000000411473 563611618 /nfs/dbraw/zinc/61/16/18/563611618.db2.gz LEMNCDPTRIEGFF-QFBILLFUSA-N 1 0 322.452 4.460 40 0 DIABRO CC(=O)c1cccc(N=C(C)Cc2sc3ccccc3[n+]2C)c1 ZINC000100264149 563628838 /nfs/dbraw/zinc/62/88/38/563628838.db2.gz BPRZFHWVAJJMQH-UHFFFAOYSA-O 1 0 323.441 4.401 40 0 DIABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+][C@H](C)CC)o2)cc1 ZINC000007520094 563640477 /nfs/dbraw/zinc/64/04/77/563640477.db2.gz ONILNRBPZXCBKZ-CYBMUJFWSA-N 1 0 301.386 4.011 40 0 DIABRO CC[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OCC)c1 ZINC000008227269 563641558 /nfs/dbraw/zinc/64/15/58/563641558.db2.gz PBTRAQYXUQRANN-UHFFFAOYSA-N 1 0 319.832 4.427 40 0 DIABRO CC[NH2+]Cc1cccc(OC)c1OCc1ccccc1Cl ZINC000008227310 563641628 /nfs/dbraw/zinc/64/16/28/563641628.db2.gz DHRIYJWQTIWTJE-UHFFFAOYSA-N 1 0 305.805 4.037 40 0 DIABRO Fc1ccc2oc([C@H]3CC[N@H+](CC4CCCCC4)C3)nc2c1 ZINC000049169150 563700675 /nfs/dbraw/zinc/70/06/75/563700675.db2.gz JXICCHYACYLCGN-AWEZNQCLSA-N 1 0 302.393 4.337 40 0 biogenic,in-vitro DIABRO CCCC[C@@H](CC)CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000224094165 563738974 /nfs/dbraw/zinc/73/89/74/563738974.db2.gz XIXAPYMHYNDPAS-QGZVFWFLSA-N 1 0 316.489 4.229 40 0 DIABRO c1cc(CN2CCCC[C@H]2c2ncn3ccsc23)cs1 ZINC000257247595 563791592 /nfs/dbraw/zinc/79/15/92/563791592.db2.gz IZPQJYVBJJBHFT-ZDUSSCGKSA-N 1 0 303.456 4.185 40 0 DIABRO Brc1ccc([C@@H]2C[C@H]2C[NH+]2CCCCCC2)cc1 ZINC000575422433 563857123 /nfs/dbraw/zinc/85/71/23/563857123.db2.gz FYRVMKCNYFMBEZ-HOCLYGCPSA-N 1 0 308.263 4.429 40 0 DIABRO CCOc1ccc(-c2c(C)[n+](-c3ccccc3)c3n2CCC3)cc1 ZINC000026441893 563864788 /nfs/dbraw/zinc/86/47/88/563864788.db2.gz VPYYUEHHGFAJPT-UHFFFAOYSA-N 1 0 319.428 4.085 40 0 DIABRO Cc1ccc2[nH]c(C3=CC[N@H+](Cc4ccccc4)CC3)nc2c1 ZINC000226250734 563913427 /nfs/dbraw/zinc/91/34/27/563913427.db2.gz GNVOSPNELWGZHO-UHFFFAOYSA-N 1 0 303.409 4.161 40 0 DIABRO COc1cc(C[NH2+][C@@H]2CCSc3ccccc32)cc(OC)c1 ZINC000008329005 563947988 /nfs/dbraw/zinc/94/79/88/563947988.db2.gz RKASSCYNURAJEG-QGZVFWFLSA-N 1 0 315.438 4.031 40 0 DIABRO CSc1ccc(C[N@@H+](Cc2sccc2C)C[C@H](C)O)cc1 ZINC000013991536 1041502777 /nfs/dbraw/zinc/50/27/77/1041502777.db2.gz SBHVDRLJWPVXSY-AWEZNQCLSA-N 1 0 321.511 4.161 40 0 DIABRO Cn1c(-c2ccccc2)c[nH+]c1NCc1c[nH]c2ccccc12 ZINC000006609200 1056152418 /nfs/dbraw/zinc/15/24/18/1056152418.db2.gz CSOOTAVEKCNYNO-UHFFFAOYSA-N 1 0 302.381 4.181 40 0 DIABRO CCc1ccc(C(=O)Nc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000000568246 190615428 /nfs/dbraw/zinc/61/54/28/190615428.db2.gz IIBKJTWQTVAGLA-UHFFFAOYSA-N 1 0 310.441 4.343 40 0 DIABRO C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072348584 191127630 /nfs/dbraw/zinc/12/76/30/191127630.db2.gz OSSOYFJZFLBUOO-OAHLLOKOSA-N 1 0 300.833 4.135 40 0 DIABRO C[N@@H+]1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072348586 191127945 /nfs/dbraw/zinc/12/79/45/191127945.db2.gz KHGIMYFCNGBMNH-HNNXBMFYSA-N 1 0 300.833 4.135 40 0 DIABRO CC(C)(C)C[N@@H+]1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000072375166 191139085 /nfs/dbraw/zinc/13/90/85/191139085.db2.gz UAVZLYLQFSRSDA-AWEZNQCLSA-N 1 0 316.474 4.465 40 0 DIABRO CC(C)c1[nH]c2ncccc2c1C[N@H+](C)CCc1ccccc1 ZINC000072393353 191149281 /nfs/dbraw/zinc/14/92/81/191149281.db2.gz MPJPXDSOXJIPKJ-UHFFFAOYSA-N 1 0 307.441 4.361 40 0 DIABRO O=P(Oc1ccccc1)(Oc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000003823281 181047209 /nfs/dbraw/zinc/04/72/09/181047209.db2.gz QOTDIUAVPXJUEG-INIZCTEOSA-N 1 0 303.298 4.047 40 0 DIABRO CCC[N@@H+]1C[C@@H](CSC)C[C@H]2c3cccc4[nH]cc(c43)C[C@@H]21 ZINC000003831297 181047931 /nfs/dbraw/zinc/04/79/31/181047931.db2.gz YEHCICAEULNIGD-OWQGQXMQSA-N 1 0 314.498 4.271 40 0 DIABRO Fc1ccccc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000004315282 181096538 /nfs/dbraw/zinc/09/65/38/181096538.db2.gz WJBZWXBJWOBKNE-UHFFFAOYSA-N 1 0 309.388 4.082 40 0 DIABRO CCC[C@@H](O)[C@H](CC)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000004777500 181151301 /nfs/dbraw/zinc/15/13/01/181151301.db2.gz WCMLBOIVUKMLBK-PCCBWWKXSA-N 1 0 311.469 4.500 40 0 DIABRO O=C(c1ccccc1)[C@@H]1C[N@@H+](C2CCCC2)[C@@H]1c1ccccc1 ZINC000005412041 181240180 /nfs/dbraw/zinc/24/01/80/181240180.db2.gz DYOADTOJACZXAL-WOJBJXKFSA-N 1 0 305.421 4.485 40 0 DIABRO C[C@H]1CCCCN1[PH+](c1ccccc1)N1CCCC[C@@H]1C ZINC000005328661 181230108 /nfs/dbraw/zinc/23/01/08/181230108.db2.gz IXYQVEWDGLGTQK-IRXDYDNUSA-N 1 0 304.418 4.373 40 0 DIABRO C[NH+](C)CC[C@@H](OC(=O)c1ccccc1Cl)c1ccccc1 ZINC000005573054 181258647 /nfs/dbraw/zinc/25/86/47/181258647.db2.gz WZIRHCGFFJKUGV-QGZVFWFLSA-N 1 0 317.816 4.190 40 0 DIABRO CCCC[NH+](CCCC)CCCNC(=O)c1cccc(Cl)c1 ZINC000005615303 181263997 /nfs/dbraw/zinc/26/39/97/181263997.db2.gz BBZCUPRUFUNTEL-UHFFFAOYSA-N 1 0 324.896 4.362 40 0 DIABRO Nc1nc2ccccc2c(-c2ccccc2)c1C[NH+]1CCCCC1 ZINC000005775581 181283064 /nfs/dbraw/zinc/28/30/64/181283064.db2.gz OGNDCJSRSJDHRR-UHFFFAOYSA-N 1 0 317.436 4.470 40 0 DIABRO CCC[C@H](C)[N@H+](CC)CCNc1cc(OC)cc2cccnc21 ZINC000005839073 181288549 /nfs/dbraw/zinc/28/85/49/181288549.db2.gz OFRCZWKTAGPGSE-HNNXBMFYSA-N 1 0 315.461 4.166 40 0 DIABRO Cc1cccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000005981571 181303735 /nfs/dbraw/zinc/30/37/35/181303735.db2.gz JIEZSDBKBOUKKC-UHFFFAOYSA-N 1 0 308.425 4.233 40 0 DIABRO COc1cc2c(cc1OC)[C@@H](C1CCCCC1)[NH2+]C(C)(C)C2 ZINC000006393129 181336963 /nfs/dbraw/zinc/33/69/63/181336963.db2.gz LWVHLUFONCPCLO-GOSISDBHSA-N 1 0 303.446 4.250 40 0 DIABRO CC[C@@H](C)[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000008326027 181548399 /nfs/dbraw/zinc/54/83/99/181548399.db2.gz LHFSZGIZFVMGJY-CQSZACIVSA-N 1 0 317.404 4.301 40 0 DIABRO C/C1=C/CC[C@@H]2[C@H](/C=C(/C)CC1)OC(=O)[C@@H]2C[NH+]1CCCCC1 ZINC000013136369 181832627 /nfs/dbraw/zinc/83/26/27/181832627.db2.gz BYFVAWVWHDPHGP-ZYWAFWPCSA-N 1 0 317.473 4.097 40 0 DIABRO Cc1ccc2[nH]cc(CC[NH2+]Cc3ccc4[nH]ccc4c3)c2c1 ZINC000015424201 182001700 /nfs/dbraw/zinc/00/17/00/182001700.db2.gz OVICMCDTXSXNRF-UHFFFAOYSA-N 1 0 303.409 4.290 40 0 DIABRO COc1cc(C[NH2+]C(C)(C)C)ccc1OCc1ccccc1C ZINC000016362726 182041984 /nfs/dbraw/zinc/04/19/84/182041984.db2.gz BQXUOUHEYXETFC-UHFFFAOYSA-N 1 0 313.441 4.471 40 0 DIABRO Cc1nc([C@@H]2CCC[N@H+](CCc3ccccc3)C2)c2ccccn12 ZINC000019240663 182111803 /nfs/dbraw/zinc/11/18/03/182111803.db2.gz NIMOGNJKBGGHHD-LJQANCHMSA-N 1 0 319.452 4.065 40 0 DIABRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)s1 ZINC000019217208 182108345 /nfs/dbraw/zinc/10/83/45/182108345.db2.gz RKJZGRYLOZVOEU-OAHLLOKOSA-N 1 0 311.454 4.312 40 0 DIABRO Clc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2[NH2+]C[C@@H]2CCOC2)cc1 ZINC000019336265 182116946 /nfs/dbraw/zinc/11/69/46/182116946.db2.gz PEGLNXLVCZXCRE-CTXVOCDESA-N 1 0 319.876 4.238 40 0 DIABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)cc1 ZINC000019346909 182118198 /nfs/dbraw/zinc/11/81/98/182118198.db2.gz JYFVHGFLSFULOP-INIZCTEOSA-N 1 0 309.388 4.082 40 0 DIABRO C[N@@H+]1CCCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000019365270 182118887 /nfs/dbraw/zinc/11/88/87/182118887.db2.gz WEUCDJCFJHYFRL-IBGZPJMESA-N 1 0 314.860 4.067 40 0 in-man DIABRO CSc1ccc(CN2CC[NH+](C3CCCCCC3)CC2)cc1 ZINC000019359603 182119302 /nfs/dbraw/zinc/11/93/02/182119302.db2.gz SFXOCNGWIGTBHY-UHFFFAOYSA-N 1 0 318.530 4.249 40 0 DIABRO CCCc1ncc(C[NH2+][C@@H]2[C@H]3CCC[C@@H]3[C@H]2c2ccccc2)cn1 ZINC000019525784 182128575 /nfs/dbraw/zinc/12/85/75/182128575.db2.gz PAPSKKLIZVECSO-FMWKFLBASA-N 1 0 321.468 4.101 40 0 DIABRO Cc1c2ccccc2oc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000019566366 182129837 /nfs/dbraw/zinc/12/98/37/182129837.db2.gz PKIDAIXEQIIDNY-UHFFFAOYSA-N 1 0 312.457 4.192 40 0 DIABRO COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2ccncc2)cc1 ZINC000019557618 182130515 /nfs/dbraw/zinc/13/05/15/182130515.db2.gz YGWJEVISINCSQM-WOZUAGRISA-N 1 0 322.452 4.152 40 0 DIABRO COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2ccncc2)cc1 ZINC000019557610 182130563 /nfs/dbraw/zinc/13/05/63/182130563.db2.gz YGWJEVISINCSQM-ANULTFPQSA-N 1 0 322.452 4.152 40 0 DIABRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2c3ncccc3[nH]c2-c2cccnc2)C1 ZINC000019717989 182137531 /nfs/dbraw/zinc/13/75/31/182137531.db2.gz SOOJUBAOVLBMML-GASCZTMLSA-N 1 0 320.440 4.103 40 0 DIABRO c1ccc2c(c1)cccc2CN1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000019853856 182157608 /nfs/dbraw/zinc/15/76/08/182157608.db2.gz PJPDUEXDCPPVHM-KPLVRAHFSA-N 1 0 320.480 4.146 40 0 DIABRO CC[NH+](CC)CCNCc1ccc(-c2cccc(Cl)c2)o1 ZINC000022076599 182308100 /nfs/dbraw/zinc/30/81/00/182308100.db2.gz VTATUWBJRFHPJP-UHFFFAOYSA-N 1 0 306.837 4.031 40 0 DIABRO Cc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000022526832 182325231 /nfs/dbraw/zinc/32/52/31/182325231.db2.gz GRVJXNJOQXVZSD-KRWDZBQOSA-N 1 0 322.452 4.479 40 0 DIABRO Cc1cccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000022522506 182325308 /nfs/dbraw/zinc/32/53/08/182325308.db2.gz MSAPZWFIRUEUDI-UHFFFAOYSA-N 1 0 322.452 4.479 40 0 DIABRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000039755900 183021842 /nfs/dbraw/zinc/02/18/42/183021842.db2.gz LNKMAKUYJPEYCN-UHFFFAOYSA-N 1 0 322.452 4.154 40 0 DIABRO C[C@H]1CCCC[C@@H]1NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000040155735 183040793 /nfs/dbraw/zinc/04/07/93/183040793.db2.gz CDWKJPACYVRXMX-IEZWGBDMSA-N 1 0 316.489 4.058 40 0 DIABRO CCc1ccc2[nH+]ccc(Nc3cccc(C(=O)OC)c3)c2c1 ZINC000062719692 184250926 /nfs/dbraw/zinc/25/09/26/184250926.db2.gz XBCIKCPGVPHKSH-UHFFFAOYSA-N 1 0 306.365 4.327 40 0 DIABRO Cc1nc(N2CCCC2)ccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072218910 257123887 /nfs/dbraw/zinc/12/38/87/257123887.db2.gz UFAPISWVNBPNBB-HXUWFJFHSA-N 1 0 321.468 4.327 40 0 DIABRO COc1cccc(OC)c1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072221444 257124388 /nfs/dbraw/zinc/12/43/88/257124388.db2.gz FWESDVIDVZECEL-KRWDZBQOSA-N 1 0 311.425 4.431 40 0 DIABRO Cc1nc(N(C)C)ccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072218766 257124445 /nfs/dbraw/zinc/12/44/45/257124445.db2.gz JAZIMHBHWOMFCS-IBGZPJMESA-N 1 0 309.457 4.183 40 0 DIABRO COc1cccc(OC)c1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072221445 257124604 /nfs/dbraw/zinc/12/46/04/257124604.db2.gz FWESDVIDVZECEL-QGZVFWFLSA-N 1 0 311.425 4.431 40 0 DIABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216064 257124922 /nfs/dbraw/zinc/12/49/22/257124922.db2.gz IJFPYAXUXZNHSS-GOSISDBHSA-N 1 0 301.478 4.255 40 0 DIABRO CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216723 257125067 /nfs/dbraw/zinc/12/50/67/257125067.db2.gz LOAPWGDINOWBKU-SFHVURJKSA-N 1 0 301.478 4.397 40 0 DIABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213019 257126927 /nfs/dbraw/zinc/12/69/27/257126927.db2.gz HXTHWRQNVYJQKN-GOSISDBHSA-N 1 0 303.494 4.498 40 0 DIABRO C[NH2+]C[C@H](C)CN1c2ccccc2Sc2ccc(OC)cc21 ZINC000038539930 134706349 /nfs/dbraw/zinc/70/63/49/134706349.db2.gz CIDGBRQEYYPJEM-ZDUSSCGKSA-N 1 0 314.454 4.153 40 0 in-vitro DIABRO CCC[NH+](CCC)Cc1c(C)[nH]c2c(C)c(Cl)ccc2c1=O ZINC000000150224 563224669 /nfs/dbraw/zinc/22/46/69/563224669.db2.gz CWZHJEBFLKONOW-UHFFFAOYSA-N 1 0 320.864 4.420 40 0 DIABRO COc1ccc(-n2c(-c3ccc(C)cc3)c[n+]3ccccc23)cc1 ZINC000000390671 563249406 /nfs/dbraw/zinc/24/94/06/563249406.db2.gz DBHCDXREDYZQFH-UHFFFAOYSA-N 1 0 315.396 4.200 40 0 DIABRO C[NH+](C)CCCOC1(Cc2ccc(F)cc2)CCCCCC1 ZINC000001584570 563286322 /nfs/dbraw/zinc/28/63/22/563286322.db2.gz HWBQLCUKVXTSPS-UHFFFAOYSA-N 1 0 307.453 4.430 40 0 DIABRO CC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(OCC[NH3+])cc1 ZINC000001591275 563286767 /nfs/dbraw/zinc/28/67/67/563286767.db2.gz OPCKIVCLTXGHRZ-WOJBJXKFSA-N 1 0 313.441 4.417 40 0 DIABRO CCC(=O)[C@@](CC[NH+](C)C)(c1cccs1)C1CCCCC1 ZINC000001593244 563286824 /nfs/dbraw/zinc/28/68/24/563286824.db2.gz MTUJSLYLOCBLKQ-SFHVURJKSA-N 1 0 307.503 4.497 40 0 DIABRO CC(=O)c1ccc(-[n+]2c(C)cc(-c3ccccc3)cc2C)cc1 ZINC000001598325 563287379 /nfs/dbraw/zinc/28/73/79/563287379.db2.gz COWGAERAJNYUIA-UHFFFAOYSA-N 1 0 302.397 4.450 40 0 DIABRO CC[NH+](CC)CCC[C@H](C)Nc1nncc2ccc(Cl)cc21 ZINC000001599087 563287650 /nfs/dbraw/zinc/28/76/50/563287650.db2.gz KAKXLDWRFKGSOX-ZDUSSCGKSA-N 1 0 320.868 4.206 40 0 DIABRO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000002694403 563311250 /nfs/dbraw/zinc/31/12/50/563311250.db2.gz ZOHVSEXZWRMRLF-BDXSIMOUSA-N 1 0 319.489 4.203 40 0 DIABRO C[NH2+]C[C@@H](C)CN1c2ccccc2Sc2ccc(OC)cc21 ZINC000005141721 563328823 /nfs/dbraw/zinc/32/88/23/563328823.db2.gz CIDGBRQEYYPJEM-CYBMUJFWSA-N 1 0 314.454 4.153 40 0 in-vitro DIABRO CCOc1cc(C[NH2+]C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008253982 563345261 /nfs/dbraw/zinc/34/52/61/563345261.db2.gz VEJIAHYTMCNSKC-UHFFFAOYSA-N 1 0 323.795 4.176 40 0 DIABRO CC[C@H](C)[NH2+]Cc1cccc(OC)c1OCc1ccccc1F ZINC000008326783 563345979 /nfs/dbraw/zinc/34/59/79/563345979.db2.gz OMDSZNXVWYXLRO-AWEZNQCLSA-N 1 0 317.404 4.301 40 0 DIABRO Cc1ncc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C2)CCCCC3)n1C ZINC000012088118 563361974 /nfs/dbraw/zinc/36/19/74/563361974.db2.gz AGVUDOWUQDTDMZ-FQEVSTJZSA-N 1 0 323.484 4.278 40 0 DIABRO Cc1c2cc(C)ccc2[nH]c1C[N@@H+](C)[C@H](C)Cc1ccccn1 ZINC000012148195 563362966 /nfs/dbraw/zinc/36/29/66/563362966.db2.gz VPDURSJMXGWGLG-OAHLLOKOSA-N 1 0 307.441 4.243 40 0 DIABRO Cc1c(C[N@@H+]2C[C@@H](c3ccccc3)C3(C2)CCCCC3)cnn1C ZINC000012233876 563364661 /nfs/dbraw/zinc/36/46/61/563364661.db2.gz YPCDZUZLFZQWPA-FQEVSTJZSA-N 1 0 323.484 4.278 40 0 DIABRO CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000031613715 563440674 /nfs/dbraw/zinc/44/06/74/563440674.db2.gz XUSOQCUAEZBUMT-GOSISDBHSA-N 1 0 303.833 4.286 40 0 DIABRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc2cc(OC)ccc2n1 ZINC000031614190 563440708 /nfs/dbraw/zinc/44/07/08/563440708.db2.gz REDZAFIPGBJBCJ-OAHLLOKOSA-N 1 0 315.461 4.166 40 0 DIABRO CC[C@@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2CC2CCCCC2)CC1 ZINC000585100302 563516851 /nfs/dbraw/zinc/51/68/51/563516851.db2.gz JVUXNZYQENGYRY-XLIONFOSSA-N 1 0 320.521 4.212 40 0 DIABRO CC(C)C[N@@H+]1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000585182391 563525454 /nfs/dbraw/zinc/52/54/54/563525454.db2.gz GZDBYDFKBAOWAT-KRWDZBQOSA-N 1 0 302.393 4.197 40 0 DIABRO CO[C@@H]1CC2(CC[NH+](Cc3ccncc3)CC2)c2ccc(C)cc21 ZINC000096100202 563532971 /nfs/dbraw/zinc/53/29/71/563532971.db2.gz RVSGUDIPMISTEE-HXUWFJFHSA-N 1 0 322.452 4.015 40 0 DIABRO COc1cccc(F)c1C[N@@H+]1CC[C@@]2(C)OC(C)(C)CC[C@H]2C1 ZINC000585286349 563542465 /nfs/dbraw/zinc/54/24/65/563542465.db2.gz QCQCGTCWJVLFDF-IFXJQAMLSA-N 1 0 321.436 4.004 40 0 DIABRO Brc1ccc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000085394467 563569203 /nfs/dbraw/zinc/56/92/03/563569203.db2.gz BJTQABVGRQECFZ-DOTOQJQBSA-N 1 0 316.242 4.342 40 0 DIABRO CC[NH2+][C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118935692 563594168 /nfs/dbraw/zinc/59/41/68/563594168.db2.gz ULMJJEKBONMJLW-MQWPULPWSA-N 1 0 317.517 4.288 40 0 DIABRO c1csc([C@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)n1 ZINC000127597991 563604436 /nfs/dbraw/zinc/60/44/36/563604436.db2.gz HNGCKCSTRXPZQO-INIZCTEOSA-N 1 0 309.438 4.071 40 0 DIABRO Cc1ccn2c(c1)nc(-c1ccc(O)cc1)c2NC1CCCC1 ZINC000000417898 563609044 /nfs/dbraw/zinc/60/90/44/563609044.db2.gz HFRKIKMHRCRBAA-UHFFFAOYSA-N 1 0 307.397 4.370 40 0 DIABRO COc1ccc(Cl)cc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000007524076 563640367 /nfs/dbraw/zinc/64/03/67/563640367.db2.gz RUWYUTMKPNYAHG-UHFFFAOYSA-N 1 0 305.849 4.263 40 0 DIABRO CC[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000008227245 563641649 /nfs/dbraw/zinc/64/16/49/563641649.db2.gz VACVPJFNGNYHCV-UHFFFAOYSA-N 1 0 323.795 4.176 40 0 DIABRO CCOc1cc(C[NH2+]C)ccc1OCc1ccc(Cl)cc1 ZINC000008254503 563642166 /nfs/dbraw/zinc/64/21/66/563642166.db2.gz VQCOORNCFZIPDC-UHFFFAOYSA-N 1 0 305.805 4.037 40 0 DIABRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2)o1)[C@@H](O)c1ccccc1 ZINC000022076471 563714100 /nfs/dbraw/zinc/71/41/00/563714100.db2.gz PZQNNDCAUSTISI-MGPUTAFESA-N 1 0 307.393 4.158 40 0 DIABRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc(C)ccc2C)cc1 ZINC000225052490 563747421 /nfs/dbraw/zinc/74/74/21/563747421.db2.gz CDSAPQXIHMWBKD-UHFFFAOYSA-N 1 0 310.441 4.398 40 0 DIABRO CCCCCC[C@H](C(=O)c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000299817314 563773454 /nfs/dbraw/zinc/77/34/54/563773454.db2.gz TVTBLEFOUUDRBK-GOSISDBHSA-N 1 0 303.446 4.313 40 0 in-vitro DIABRO C[NH+](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000095858019 563774623 /nfs/dbraw/zinc/77/46/23/563774623.db2.gz ZSTQCIVAAMTXKR-YRQPXTNQSA-N 1 0 319.533 4.320 40 0 DIABRO CC(C)c1nc(N2Cc3ccccc3C[C@@H]2C)cc(NC2CC2)[nH+]1 ZINC000329065118 563834510 /nfs/dbraw/zinc/83/45/10/563834510.db2.gz XPTVLKRAXYTJTH-AWEZNQCLSA-N 1 0 322.456 4.126 40 0 DIABRO Cc1ccc2oc([C@H]3CC[N@H+](Cc4ccccc4F)C3)nc2c1 ZINC000035446485 563867354 /nfs/dbraw/zinc/86/73/54/563867354.db2.gz NGINRCRIHRMDEF-HNNXBMFYSA-N 1 0 310.372 4.265 40 0 biogenic,in-vitro DIABRO CC[C@H](C(=O)c1ccc(Cl)cc1)N1Cc2ccccc2C1=[NH2+] ZINC000102631466 563870862 /nfs/dbraw/zinc/87/08/62/563870862.db2.gz MXHVSVSFQWGVRX-MRXNPFEDSA-N 1 0 312.800 4.142 40 0 DIABRO Clc1ccccc1C[n+]1ccc(-c2nc3ccccc3o2)cc1 ZINC000098086946 563890432 /nfs/dbraw/zinc/89/04/32/563890432.db2.gz GQAYMXVCYLUBFH-UHFFFAOYSA-N 1 0 321.787 4.484 40 0 DIABRO CC(C)c1cc2nc(C3CC[NH2+]CC3)oc2c(Br)c1 ZINC000226250341 563913344 /nfs/dbraw/zinc/91/33/44/563913344.db2.gz JDTKQUOUUAHZPY-UHFFFAOYSA-N 1 0 323.234 4.181 40 0 DIABRO O=C(C[C@H](c1ccccc1)[NH+]1CCCCC1)OCc1ccccc1 ZINC000001569386 568412316 /nfs/dbraw/zinc/41/23/16/568412316.db2.gz PWMHOMZHKCPYAJ-HXUWFJFHSA-N 1 0 323.436 4.347 40 0 DIABRO Oc1cc2c(cc1Cl)CC[NH2+]C[C@@H]2c1cccc2ccoc21 ZINC001570009207 1055881769 /nfs/dbraw/zinc/88/17/69/1055881769.db2.gz FNSOIGQMVWZWDF-OAHLLOKOSA-N 1 0 313.784 4.069 40 0 DIABRO COc1ccc(-c2c[n+](-c3ccccc3)c3n2CCCCC3)cc1 ZINC000027788794 1056056963 /nfs/dbraw/zinc/05/69/63/1056056963.db2.gz QZWWHKLBLAQIEF-UHFFFAOYSA-N 1 0 319.428 4.167 40 0 DIABRO FC(F)(F)c1ccc(Cc2cccc([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000072356432 191130465 /nfs/dbraw/zinc/13/04/65/191130465.db2.gz YVDGEZSSHSPLMF-HNNXBMFYSA-N 1 0 306.331 4.116 40 0 DIABRO O=[N+]1O[C@H](c2ccccc2)[C@H](c2ccccc2)C1c1ccccc1 ZINC000001561994 180873411 /nfs/dbraw/zinc/87/34/11/180873411.db2.gz OSAUDCINISZLBG-TZIWHRDSSA-N 1 0 315.372 4.456 40 0 DIABRO O[C@@H](c1cc(C2CCCCC2)nc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000001729642 180892813 /nfs/dbraw/zinc/89/28/13/180892813.db2.gz TXNJKGIJVCAFQP-CTNGQTDRSA-N 1 0 324.468 4.458 40 0 DIABRO O[C@H](c1cc(C2CCCCC2)nc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000001729645 180893061 /nfs/dbraw/zinc/89/30/61/180893061.db2.gz TXNJKGIJVCAFQP-PZJWPPBQSA-N 1 0 324.468 4.458 40 0 DIABRO COc1cc(C[NH2+]Cc2ccccc2)ccc1OC1CCCC1 ZINC000004657682 181132934 /nfs/dbraw/zinc/13/29/34/181132934.db2.gz RIVUGUSOUXWSRF-UHFFFAOYSA-N 1 0 311.425 4.306 40 0 DIABRO CCC[C@H](O)[C@@H](CC)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000004777498 181151308 /nfs/dbraw/zinc/15/13/08/181151308.db2.gz WCMLBOIVUKMLBK-HKBOAZHASA-N 1 0 311.469 4.500 40 0 DIABRO CC[NH+](CC)C[C@H]1c2ccccc2[C@H](CNc2ccccc2)N1C ZINC000073386758 191311270 /nfs/dbraw/zinc/31/12/70/191311270.db2.gz BFTKLTXWDUKHIE-SFTDATJTSA-N 1 0 323.484 4.168 40 0 DIABRO C[NH+](C)CCSc1nc2ccccc2cc1Cc1ccccc1 ZINC000004929996 181174316 /nfs/dbraw/zinc/17/43/16/181174316.db2.gz IIDRDZYJDMMVSM-UHFFFAOYSA-N 1 0 322.477 4.479 40 0 DIABRO C[C@@H]([NH2+]C1CCCC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000004969223 181181705 /nfs/dbraw/zinc/18/17/05/181181705.db2.gz HGWKOWHSFFTYKL-OAHLLOKOSA-N 1 0 308.425 4.213 40 0 DIABRO CC[NH+](CC)CCC[C@@H](C)Nc1cc(F)cc2cccnc21 ZINC000005561597 181258097 /nfs/dbraw/zinc/25/80/97/181258097.db2.gz HKYFPDWAVXLTMJ-CQSZACIVSA-N 1 0 303.425 4.296 40 0 DIABRO COc1ccc([C@@H]2C=C(c3ccc(F)cc3)NC(=[NH2+])S2)cc1 ZINC000005917575 181295925 /nfs/dbraw/zinc/29/59/25/181295925.db2.gz UBRNDOCAUUDKEB-INIZCTEOSA-N 1 0 314.385 4.188 40 0 DIABRO CC[N@@H+]1CCC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@@]4(C)O)[C@@H]3CC[C@H]12 ZINC000006438642 181341457 /nfs/dbraw/zinc/34/14/57/181341457.db2.gz NZOLRXNSWUPNDS-YCQAMALFSA-N 1 0 319.533 4.464 40 0 DIABRO Cc1nc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c2ccccn12 ZINC000019240674 182111728 /nfs/dbraw/zinc/11/17/28/182111728.db2.gz VOQCPYXNEWOBFE-KRWDZBQOSA-N 1 0 323.415 4.161 40 0 DIABRO CC(C)(C)c1noc([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000019084613 182104570 /nfs/dbraw/zinc/10/45/70/182104570.db2.gz PEYDFLMHRZDTCA-CYBMUJFWSA-N 1 0 319.836 4.010 40 0 DIABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3cc4ncccc4[nH]3)C2)cc1 ZINC000019345309 182118194 /nfs/dbraw/zinc/11/81/94/182118194.db2.gz MUCQFJCRMQYRMZ-HNNXBMFYSA-N 1 0 309.388 4.082 40 0 DIABRO CC[NH+](CC)CCN(C)Cc1coc(-c2ccccc2)c1Cl ZINC000019366043 182118608 /nfs/dbraw/zinc/11/86/08/182118608.db2.gz BJVNQETYPWLVRQ-UHFFFAOYSA-N 1 0 320.864 4.374 40 0 DIABRO Clc1ccc(C2(C[N@H+](Cc3ccncc3)C3CC3)CC2)cc1 ZINC000019332727 182116134 /nfs/dbraw/zinc/11/61/34/182116134.db2.gz DPERNDSIHUJAPZ-UHFFFAOYSA-N 1 0 312.844 4.431 40 0 DIABRO C[C@H]1CCC[N@@H+](C2CCN(Cc3cc4ccccc4o3)CC2)C1 ZINC000019496485 182125413 /nfs/dbraw/zinc/12/54/13/182125413.db2.gz SRIWSXVOPGZLMR-INIZCTEOSA-N 1 0 312.457 4.129 40 0 DIABRO C[C@H]1c2ccsc2CC[N@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000019498347 182126197 /nfs/dbraw/zinc/12/61/97/182126197.db2.gz BONAYYLBXWICNH-NSHDSACASA-N 1 0 315.467 4.319 40 0 DIABRO COc1ccc2nc(C[NH2+]C3(c4cccc(F)c4)CC3)ccc2c1 ZINC000019563711 182130374 /nfs/dbraw/zinc/13/03/74/182130374.db2.gz NTUVXQNHIXUERS-UHFFFAOYSA-N 1 0 322.383 4.161 40 0 DIABRO CC1(C)CCC[N@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)C1 ZINC000019461217 182124690 /nfs/dbraw/zinc/12/46/90/182124690.db2.gz IUTSVPIHARNMEA-INIZCTEOSA-N 1 0 313.445 4.036 40 0 DIABRO CC1CC[NH+](C2CCN(Cc3cc4ccccc4o3)CC2)CC1 ZINC000019496848 182124929 /nfs/dbraw/zinc/12/49/29/182124929.db2.gz ARHDLTLJJBOQQS-UHFFFAOYSA-N 1 0 312.457 4.129 40 0 DIABRO COc1ccc2c(C)cc3[n+](c2c1)C(=O)C(c1ccccc1)S3 ZINC000020120566 182189131 /nfs/dbraw/zinc/18/91/31/182189131.db2.gz FKFQRNPESWFEEE-UHFFFAOYSA-O 1 0 322.409 4.330 40 0 DIABRO C/C1=C\CC[C@H]2[C@H](/C=C(\C)CC1)OC(=O)[C@@H]2C[NH+]1CCCCC1 ZINC000032109693 182635689 /nfs/dbraw/zinc/63/56/89/182635689.db2.gz BYFVAWVWHDPHGP-AUCQLPRPSA-N 1 0 317.473 4.097 40 0 DIABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+][C@@H](C)CC)o2)cc1 ZINC000007520108 256521601 /nfs/dbraw/zinc/52/16/01/256521601.db2.gz ONILNRBPZXCBKZ-ZDUSSCGKSA-N 1 0 301.386 4.011 40 0 DIABRO Cc1cc(N(C)C)ncc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072218707 257124080 /nfs/dbraw/zinc/12/40/80/257124080.db2.gz QZJFAOJKHNTLPZ-LJQANCHMSA-N 1 0 309.457 4.183 40 0 DIABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2N2CCCC2)cc1 ZINC000072215971 257124715 /nfs/dbraw/zinc/12/47/15/257124715.db2.gz XADLMMXPZFBVHA-LJQANCHMSA-N 1 0 307.441 4.019 40 0 DIABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2N2CCCC2)cc1 ZINC000072216008 257124764 /nfs/dbraw/zinc/12/47/64/257124764.db2.gz LDLJLIJBAIQHOG-HXUWFJFHSA-N 1 0 321.468 4.409 40 0 DIABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216705 257125478 /nfs/dbraw/zinc/12/54/78/257125478.db2.gz NINBJCWQBVHBQM-GOSISDBHSA-N 1 0 301.478 4.255 40 0 DIABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216721 257125670 /nfs/dbraw/zinc/12/56/70/257125670.db2.gz WNLURJNNFYTTSL-SFHVURJKSA-N 1 0 301.478 4.399 40 0 DIABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214383 257126073 /nfs/dbraw/zinc/12/60/73/257126073.db2.gz HIZLMJDTWYQTLB-OAHLLOKOSA-N 1 0 319.449 4.366 40 0 DIABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[NH2+]1 ZINC000072215196 257126584 /nfs/dbraw/zinc/12/65/84/257126584.db2.gz UZFOCZRKEFAVNH-DZGCQCFKSA-N 1 0 319.449 4.046 40 0 DIABRO CCN(CC)c1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072212885 257126947 /nfs/dbraw/zinc/12/69/47/257126947.db2.gz VTZBYLVEMSRNGK-IBGZPJMESA-N 1 0 309.457 4.265 40 0 DIABRO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC[C@]2(O)C[NH3+] ZINC000122078786 195398781 /nfs/dbraw/zinc/39/87/81/195398781.db2.gz SNWGRADGFKNELG-DTMQFJJTSA-N 1 0 305.506 4.109 40 0 DIABRO CCC[NH2+]Cc1ccc(OCc2cccs2)c(OCC)c1 ZINC000007262372 333003087 /nfs/dbraw/zinc/00/30/87/333003087.db2.gz IBZXWIUASPNMHM-UHFFFAOYSA-N 1 0 305.443 4.225 40 0 DIABRO Cc1ccc(-c2cnc3n2CC2(C3)CC[NH+](CC(C)C)CC2)cc1 ZINC000306126785 534197070 /nfs/dbraw/zinc/19/70/70/534197070.db2.gz FFGLRTINFSCOOS-UHFFFAOYSA-N 1 0 323.484 4.153 40 0 DIABRO C[NH+](C)[C@@H]1C[C@](c2cccs2)(C2CCCCC2)CCC1=O ZINC000001577545 563285691 /nfs/dbraw/zinc/28/56/91/563285691.db2.gz KGFHLVDDNFZNTD-QAPCUYQASA-N 1 0 305.487 4.249 40 0 DIABRO c1csc(C[N@@H+]2CC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000049168959 560084875 /nfs/dbraw/zinc/08/48/75/560084875.db2.gz ZKSBUMPVSRYXSK-LBPRGKRZSA-N 1 0 300.452 4.347 40 0 biogenic,in-vitro DIABRO O=C(C[NH+]1CCCCCC1)N(C1CCCCC1)C1CCCCC1 ZINC000000251385 563233518 /nfs/dbraw/zinc/23/35/18/563233518.db2.gz JLIKUJMBCQPFQA-UHFFFAOYSA-N 1 0 320.521 4.356 40 0 DIABRO CC1(C)CC(NC2CCCCC2)=CC(NC2CCCCC2)=[NH+]1 ZINC000001581748 563286393 /nfs/dbraw/zinc/28/63/93/563286393.db2.gz VQYGZUBZFOYLAG-UHFFFAOYSA-N 1 0 303.494 4.296 40 0 DIABRO C[NH+](C)C[C@@H](O)c1ccc(/C=C/c2ccc(Cl)cc2)cc1 ZINC000001628143 563288489 /nfs/dbraw/zinc/28/84/89/563288489.db2.gz KBGPTRHFMZERIT-OAJJDEHYSA-N 1 0 301.817 4.105 40 0 DIABRO CC[C@@H](C)[NH2+]CCCCCNc1cc(OC)cc2cccnc21 ZINC000001687518 563291268 /nfs/dbraw/zinc/29/12/68/563291268.db2.gz QOKIJSHQBQJAKF-OAHLLOKOSA-N 1 0 315.461 4.214 40 0 DIABRO Cc1cc(C)c(C(=O)O[C@@H](C)C[NH2+]C2CCCCC2)c(C)c1 ZINC000001709190 563292768 /nfs/dbraw/zinc/29/27/68/563292768.db2.gz ZKUHFYWXFBFEMF-INIZCTEOSA-N 1 0 303.446 4.079 40 0 DIABRO CC[NH+](CC)CCOC(=O)C=C(c1ccccc1)c1ccccc1 ZINC000001734036 563294546 /nfs/dbraw/zinc/29/45/46/563294546.db2.gz XIROWYXRKYJPMU-UHFFFAOYSA-N 1 0 323.436 4.003 40 0 DIABRO CCCC[N@@H+]1CCCC[C@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000002495714 563304366 /nfs/dbraw/zinc/30/43/66/563304366.db2.gz MRZPUHWOCOJGFJ-KRWDZBQOSA-N 1 0 302.462 4.205 40 0 DIABRO CCOc1ccc(-c2nc(C[NH2+]C3CCCC3)cs2)cc1 ZINC000007813827 563342688 /nfs/dbraw/zinc/34/26/88/563342688.db2.gz REDBPZVNYZRIPV-UHFFFAOYSA-N 1 0 302.443 4.241 40 0 DIABRO CC(C)(C)OC(=O)n1ccc2c1cccc2[C@H]([NH3+])c1ccccc1 ZINC000096509806 563486354 /nfs/dbraw/zinc/48/63/54/563486354.db2.gz DJGXLJIGMKIIGC-GOSISDBHSA-N 1 0 322.408 4.473 40 0 DIABRO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@@H+]1Cc1ccc(C(C)C)cc1 ZINC000072340956 563503619 /nfs/dbraw/zinc/50/36/19/563503619.db2.gz WHHLKJUYMQCJMR-XLIONFOSSA-N 1 0 307.441 4.170 40 0 DIABRO O=C1CCCC[C@H]2[C@@H]1[C@@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC000095951717 563531691 /nfs/dbraw/zinc/53/16/91/563531691.db2.gz KRJQERWTNABLPQ-URVUXULASA-N 1 0 319.448 4.414 40 0 biogenic DIABRO Clc1cccc(C[C@@H]2[NH2+]CCC[C@@H]2Nc2ccccc2)c1 ZINC000585262277 563536285 /nfs/dbraw/zinc/53/62/85/563536285.db2.gz SECXDIVCGRESLQ-ROUUACIJSA-N 1 0 300.833 4.115 40 0 DIABRO C[NH+](C)CCCOc1ccccc1Oc1cccc(Cl)c1 ZINC000585266243 563536971 /nfs/dbraw/zinc/53/69/71/563536971.db2.gz VXYYTUTUPVDMFN-UHFFFAOYSA-N 1 0 305.805 4.463 40 0 DIABRO CC[NH+](CC)CCOc1cc(F)ccc1Oc1ccccc1 ZINC000585265348 563537268 /nfs/dbraw/zinc/53/72/68/563537268.db2.gz MLCOXBAOESDBHG-UHFFFAOYSA-N 1 0 303.377 4.339 40 0 DIABRO COC1(COc2cccc(Cl)c2)CC[NH+](C2CCCC2)CC1 ZINC000585281504 563540944 /nfs/dbraw/zinc/54/09/44/563540944.db2.gz KLMUUEXGEOVSEH-UHFFFAOYSA-N 1 0 323.864 4.142 40 0 DIABRO Brc1ccc(C[NH2+]CC2CCC2)c2ccccc12 ZINC000085395087 563569045 /nfs/dbraw/zinc/56/90/45/563569045.db2.gz CSXXTNOTDAQGFT-UHFFFAOYSA-N 1 0 304.231 4.492 40 0 DIABRO COc1cc(C[NH2+]C2CC2)cc(Cl)c1OCc1ccccc1 ZINC000008470332 563643605 /nfs/dbraw/zinc/64/36/05/563643605.db2.gz WSNVLJNREMJQNS-UHFFFAOYSA-N 1 0 317.816 4.180 40 0 DIABRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2)o1)[C@H](O)c1ccccc1 ZINC000022076474 563713782 /nfs/dbraw/zinc/71/37/82/563713782.db2.gz PZQNNDCAUSTISI-YWZLYKJASA-N 1 0 307.393 4.158 40 0 DIABRO [NH3+]CCCNc1ccnc2c(Sc3ccccc3)cccc12 ZINC000222683487 563727444 /nfs/dbraw/zinc/72/74/44/563727444.db2.gz YIDFQFKWHNAPIB-UHFFFAOYSA-N 1 0 309.438 4.147 40 0 DIABRO CC[C@H](C)c1ccccc1OC[C@H](O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000245319141 563780597 /nfs/dbraw/zinc/78/05/97/563780597.db2.gz ZOHVSEXZWRMRLF-BSDSXHPESA-N 1 0 319.489 4.203 40 0 DIABRO O[C@H]1CCCC[C@H]2[C@H]1[C@@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC000254286819 563785344 /nfs/dbraw/zinc/78/53/44/563785344.db2.gz ASUIJTQOWIPBJV-CLAROIROSA-N 1 0 321.464 4.206 40 0 DIABRO c1ccc(Nc2cccc(C3CC[NH+](C4CCCC4)CC3)n2)nc1 ZINC000257208985 563790081 /nfs/dbraw/zinc/79/00/81/563790081.db2.gz BOKDLKZEZLFPFP-UHFFFAOYSA-N 1 0 322.456 4.342 40 0 DIABRO C[NH+]1CCC(=C2c3cc(Cl)ccc3CCc3cccnc32)CC1 ZINC000077286467 563816699 /nfs/dbraw/zinc/81/66/99/563816699.db2.gz WFLOLUGQOGHZRL-UHFFFAOYSA-N 1 0 324.855 4.361 40 0 in-vitro DIABRO Brc1ccc([C@H]2C[C@@H]2C[NH+]2CCCCCC2)cc1 ZINC000575422142 563857185 /nfs/dbraw/zinc/85/71/85/563857185.db2.gz FYRVMKCNYFMBEZ-GDBMZVCRSA-N 1 0 308.263 4.429 40 0 DIABRO CC[C@@]12CCC[N@H+](C1)CCc1c3cccc(OC)c3[nH]c1CC2 ZINC000032275646 563922907 /nfs/dbraw/zinc/92/29/07/563922907.db2.gz BIOVFIIYODPMOE-FQEVSTJZSA-N 1 0 312.457 4.157 40 0 biogenic,in-vitro DIABRO CC1(C)[C@H](Cc2cc(-c3ccccc3)on2)C[C@@H]1[NH2+]CC1CC1 ZINC000067890262 563950565 /nfs/dbraw/zinc/95/05/65/563950565.db2.gz MZBAURSUYZXQCM-APWZRJJASA-N 1 0 310.441 4.298 40 0 biogenic,in-vitro DIABRO Cc1nc(N2CCc3ccccc3C2)cc(NC2CCCCC2)[nH+]1 ZINC000240650228 1039318871 /nfs/dbraw/zinc/31/88/71/1039318871.db2.gz AFUDCWQWOARVJK-UHFFFAOYSA-N 1 0 322.456 4.092 40 0 DIABRO Cc1cc(N2CCc3ccccc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000242951191 1039331955 /nfs/dbraw/zinc/33/19/55/1039331955.db2.gz HEZSPJWIHABGAL-UHFFFAOYSA-N 1 0 322.456 4.092 40 0 DIABRO C[C@H](c1cccs1)[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000072203840 191076333 /nfs/dbraw/zinc/07/63/33/191076333.db2.gz SPRLIMZPAMKGDN-CYBMUJFWSA-N 1 0 324.490 4.046 40 0 DIABRO FC(F)(F)c1ccc(Cc2cccc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000072348407 191128156 /nfs/dbraw/zinc/12/81/56/191128156.db2.gz CAEPBRBHYYGFKD-CQSZACIVSA-N 1 0 320.358 4.158 40 0 DIABRO C[C@@H]1C[C@@H](C)C[NH+](Cc2c3cccnc3[nH]c2C(F)(F)F)C1 ZINC000072393365 191149892 /nfs/dbraw/zinc/14/98/92/191149892.db2.gz DPNZUHQWLYTKES-GHMZBOCLSA-N 1 0 311.351 4.060 40 0 DIABRO CCCC(CCC)[NH2+]CCOC(=O)[C@H](CC)c1ccccc1 ZINC000001710534 180890052 /nfs/dbraw/zinc/89/00/52/180890052.db2.gz RELYJPKUNBLODF-GOSISDBHSA-N 1 0 305.462 4.282 40 0 DIABRO CCC(=O)O[C@@]1(c2ccccc2)C[C@H](C(C)(C)C)C[N@H+](C)[C@@H]1C ZINC000004594135 181128024 /nfs/dbraw/zinc/12/80/24/181128024.db2.gz HXMYADUYVHAIOZ-SYNHAJSKSA-N 1 0 317.473 4.221 40 0 DIABRO CCCCC[C@H](C)[NH2+]C[C@H](O)Cc1ccc(OCCCC)cc1 ZINC000004721971 181142225 /nfs/dbraw/zinc/14/22/25/181142225.db2.gz BEIBQSJRJBTTMQ-PKOBYXMFSA-N 1 0 321.505 4.327 40 0 DIABRO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000004897846 181170001 /nfs/dbraw/zinc/17/00/01/181170001.db2.gz VUEZNONIYWVUJQ-SJORKVTESA-N 1 0 322.452 4.413 40 0 DIABRO C[n+]1c(/C=C\c2ccc(O)c3ncccc23)sc2ccccc21 ZINC000004900199 181170039 /nfs/dbraw/zinc/17/00/39/181170039.db2.gz YVGNOHMFVPDRNY-UHFFFAOYSA-O 1 0 319.409 4.150 40 0 DIABRO CCCC[NH2+][C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000005973612 181302792 /nfs/dbraw/zinc/30/27/92/181302792.db2.gz OYNSFIYSFXQMAX-HXUWFJFHSA-N 1 0 313.441 4.377 40 0 DIABRO C[NH+](C)CC[C@H](OC(=O)c1ccccc1Cl)c1ccccc1 ZINC000006437067 181341326 /nfs/dbraw/zinc/34/13/26/181341326.db2.gz WZIRHCGFFJKUGV-KRWDZBQOSA-N 1 0 317.816 4.190 40 0 DIABRO COc1cc(C[NH2+][C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc(OC)c1 ZINC000195530576 201399639 /nfs/dbraw/zinc/39/96/39/201399639.db2.gz VBJLJOVEFPWEFT-UCLAIMLFSA-N 1 0 303.446 4.008 40 0 DIABRO c1cnc2cc(C3CC[NH+](C[C@H]4CC=CCC4)CC3)ncc2c1 ZINC000012224071 181742070 /nfs/dbraw/zinc/74/20/70/181742070.db2.gz AXJGPOJUCDZVER-INIZCTEOSA-N 1 0 307.441 4.166 40 0 DIABRO Cc1nc2ccccc2nc1C[NH+]1CCC(c2ccccc2)CC1 ZINC000016265194 182038729 /nfs/dbraw/zinc/03/87/29/182038729.db2.gz MRIVTETXXBNDEH-UHFFFAOYSA-N 1 0 317.436 4.318 40 0 DIABRO CC(C)(C)c1n[nH]cc1C[NH2+][C@@H]1[C@H]2CCC[C@@H]2[C@H]1c1ccccc1 ZINC000019083510 182104827 /nfs/dbraw/zinc/10/48/27/182104827.db2.gz DWSNZJJRBMJQGC-INDMIFKZSA-N 1 0 323.484 4.379 40 0 DIABRO Cc1cc(-c2cn[nH]c2[C@H]2CCCC[N@@H+]2Cc2ccccc2)on1 ZINC000019120951 182104955 /nfs/dbraw/zinc/10/49/55/182104955.db2.gz WZKKUPJYCSUBQU-QGZVFWFLSA-N 1 0 322.412 4.100 40 0 DIABRO Nc1cc(-c2ccccc2)[nH+]c2ccc(OC(F)(F)F)cc12 ZINC000019721749 182138159 /nfs/dbraw/zinc/13/81/59/182138159.db2.gz LUSHUNTWQUCZDU-UHFFFAOYSA-N 1 0 304.271 4.383 40 0 DIABRO COc1ccc(CC[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000022074762 182307554 /nfs/dbraw/zinc/30/75/54/182307554.db2.gz QEVYJBXGCJPQQA-UHFFFAOYSA-N 1 0 310.224 4.334 40 0 DIABRO c1ccc(C[C@H](c2cccc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000031962173 182630647 /nfs/dbraw/zinc/63/06/47/182630647.db2.gz FIVPTTNCAKAAAB-JOCHJYFZSA-N 1 0 317.432 4.456 40 0 DIABRO CCc1ccc2[nH+]ccc(Nc3ccc(C(=O)OC)cc3)c2c1 ZINC000062719684 184250962 /nfs/dbraw/zinc/25/09/62/184250962.db2.gz OPBZRUGDSFYPLL-UHFFFAOYSA-N 1 0 306.365 4.327 40 0 DIABRO COc1cc2[nH+]ccc(Nc3ccc(C(C)=O)cc3)c2cc1OC ZINC000065005213 184308678 /nfs/dbraw/zinc/30/86/78/184308678.db2.gz NFMNZSAZCDMKMS-UHFFFAOYSA-N 1 0 322.364 4.198 40 0 DIABRO C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118925983 194941637 /nfs/dbraw/zinc/94/16/37/194941637.db2.gz VIQFMADXQMGZER-XFHAOOBSSA-N 1 0 319.533 4.353 40 0 DIABRO Cc1cc(NCc2ccccc2)ncc1[C@H]([NH3+])c1ccccc1 ZINC000072223378 257123284 /nfs/dbraw/zinc/12/32/84/257123284.db2.gz XYQHEWDJPSMBMT-HXUWFJFHSA-N 1 0 303.409 4.050 40 0 DIABRO [NH3+][C@@H](c1ccccc1)c1ccc(SCc2ccccc2)nc1 ZINC000072225419 257123782 /nfs/dbraw/zinc/12/37/82/257123782.db2.gz GRRLESCGPBYOLD-IBGZPJMESA-N 1 0 306.434 4.422 40 0 DIABRO CCC[N@@H+]1CCCC[C@@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219178 257124153 /nfs/dbraw/zinc/12/41/53/257124153.db2.gz RMTRZWIRCAXBTP-GOSISDBHSA-N 1 0 301.478 4.317 40 0 DIABRO CCCC[N@@H+]1CCC[C@@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219165 257124353 /nfs/dbraw/zinc/12/43/53/257124353.db2.gz ZIQHDBYDGUAYJJ-GOSISDBHSA-N 1 0 301.478 4.317 40 0 DIABRO Cc1cc(N2CCCC2)ncc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072218882 257124540 /nfs/dbraw/zinc/12/45/40/257124540.db2.gz LCDKXHMOMIZHNS-SFHVURJKSA-N 1 0 301.478 4.173 40 0 DIABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2N2CCCC2)cc1 ZINC000072216009 257124970 /nfs/dbraw/zinc/12/49/70/257124970.db2.gz LDLJLIJBAIQHOG-FQEVSTJZSA-N 1 0 321.468 4.409 40 0 DIABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(N3CCCC3)nc2)cc1 ZINC000072215911 257125112 /nfs/dbraw/zinc/12/51/12/257125112.db2.gz ITOXHFKFWQXLSE-LJQANCHMSA-N 1 0 307.441 4.019 40 0 DIABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214336 257126023 /nfs/dbraw/zinc/12/60/23/257126023.db2.gz NOGLBSNNOHBEEP-OAHLLOKOSA-N 1 0 319.449 4.366 40 0 DIABRO CCN(C)c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072212742 257127027 /nfs/dbraw/zinc/12/70/27/257127027.db2.gz YRULCNPQPIMKLV-IBGZPJMESA-N 1 0 309.457 4.265 40 0 DIABRO CC[NH+](CC)CCC[C@H](C)Nc1ccc2cc(OC)ccc2n1 ZINC000001729629 331467415 /nfs/dbraw/zinc/46/74/15/331467415.db2.gz REDZAFIPGBJBCJ-HNNXBMFYSA-N 1 0 315.461 4.166 40 0 DIABRO C[C@@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)[C@H]1C ZINC000247883611 341370909 /nfs/dbraw/zinc/37/09/09/341370909.db2.gz RYNAYTUYWPFNAP-KEYYUXOJSA-N 1 0 313.445 4.035 40 0 DIABRO CCC[C@H]1[C@H](O)[C@H](C)[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000247940460 341371231 /nfs/dbraw/zinc/37/12/31/341371231.db2.gz GCUZTKRRUTYKPX-DRYZZIBHSA-N 1 0 309.453 4.486 40 0 DIABRO CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H](C)[C@@H]1O ZINC000247940471 341371269 /nfs/dbraw/zinc/37/12/69/341371269.db2.gz GCUZTKRRUTYKPX-MKCNHSFFSA-N 1 0 309.453 4.486 40 0 DIABRO CC(C)Nc1cc(N2Cc3ccccc3C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000328967561 527761287 /nfs/dbraw/zinc/76/12/87/527761287.db2.gz CVIPMTWFXSQQQS-OAHLLOKOSA-N 1 0 324.472 4.372 40 0 DIABRO Brc1ccc([C@H]2C[C@H]2C[NH+]2CCCCCC2)cc1 ZINC000575422431 563857000 /nfs/dbraw/zinc/85/70/00/563857000.db2.gz FYRVMKCNYFMBEZ-GOEBONIOSA-N 1 0 308.263 4.429 40 0 DIABRO Fc1ccc2[nH]c([C@H]3CC[N@H+](CC4CCCCC4)C3)nc2c1 ZINC000049168996 560084885 /nfs/dbraw/zinc/08/48/85/560084885.db2.gz KMIYUCGSZHWGDV-AWEZNQCLSA-N 1 0 301.409 4.072 40 0 biogenic,in-vitro DIABRO CCC[C@H](O)C[N@H+](C)Cc1cc2c(c3ccccc13)CCCC2 ZINC000001592055 563286803 /nfs/dbraw/zinc/28/68/03/563286803.db2.gz UOHIGTSTTORWPE-SFHVURJKSA-N 1 0 311.469 4.311 40 0 DIABRO COc1cc(NCCCCC[NH2+]C(C)C)c2nccc(C)c2c1 ZINC000001600859 563287646 /nfs/dbraw/zinc/28/76/46/563287646.db2.gz FTVDWPVETVDUML-UHFFFAOYSA-N 1 0 315.461 4.132 40 0 DIABRO CCCOc1ccc(C(=O)CC[NH+]2CC3CCC(CC3)C2)cc1 ZINC000001615868 563288032 /nfs/dbraw/zinc/28/80/32/563288032.db2.gz NAHNPJJDMMJSSU-UHFFFAOYSA-N 1 0 315.457 4.170 40 0 DIABRO CC[NH+](CC)[C@H](C)[C@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000001687280 563291142 /nfs/dbraw/zinc/29/11/42/563291142.db2.gz OJOOGONWKGNBDZ-VFNWGFHPSA-N 1 0 311.469 4.482 40 0 DIABRO CC[NH+](CC)[C@H](C)[C@@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000001687282 563291149 /nfs/dbraw/zinc/29/11/49/563291149.db2.gz OJOOGONWKGNBDZ-QVKFZJNVSA-N 1 0 311.469 4.482 40 0 DIABRO O[C@@H]1CCCc2[nH+]c3ccccc3c(NCc3ccccc3)c21 ZINC000001851379 563296409 /nfs/dbraw/zinc/29/64/09/563296409.db2.gz HERUZAOANPGYSY-GOSISDBHSA-N 1 0 304.393 4.217 40 0 in-man DIABRO CCCCC(CCCC)[NH2+][C@@H](C)COC(=O)c1ccc(N)cc1 ZINC000001995915 563297607 /nfs/dbraw/zinc/29/76/07/563297607.db2.gz RDCLDFKWBAJYMF-HNNXBMFYSA-N 1 0 320.477 4.153 40 0 DIABRO CC[C@H](OC[C@H](O)C[N@H+](CC)C1CCCCC1)c1ccccc1 ZINC000002694631 563312070 /nfs/dbraw/zinc/31/20/70/563312070.db2.gz DWZLRCJCECLENB-UXHICEINSA-N 1 0 319.489 4.170 40 0 DIABRO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@H+]1Cc1cccc2ccccc21 ZINC000012186451 563363751 /nfs/dbraw/zinc/36/37/51/563363751.db2.gz SHQYWKYPVMUKHC-UTKZUKDTSA-N 1 0 315.420 4.200 40 0 DIABRO Cc1c(C[N@@H+]2C[C@H](c3ccccc3)C3(C2)CCCCC3)cnn1C ZINC000012233880 563364928 /nfs/dbraw/zinc/36/49/28/563364928.db2.gz YPCDZUZLFZQWPA-HXUWFJFHSA-N 1 0 323.484 4.278 40 0 DIABRO C=Cn1ncc(C[N@@H+]2C[C@H](c3ccccc3)C3(CCCC3)C2)c1C ZINC000012337399 563366064 /nfs/dbraw/zinc/36/60/64/563366064.db2.gz FXUUDTZVVWDQCW-HXUWFJFHSA-N 1 0 321.468 4.452 40 0 DIABRO CC(=O)c1cn(CC[NH+](C(C)C)C(C)C)c2c1ccnc2Cl ZINC000013997737 563394127 /nfs/dbraw/zinc/39/41/27/563394127.db2.gz QKIHIPGNZKOAIF-UHFFFAOYSA-N 1 0 321.852 4.011 40 0 DIABRO c1ccc(C[C@@H](c2cccc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000031962169 563441365 /nfs/dbraw/zinc/44/13/65/563441365.db2.gz FIVPTTNCAKAAAB-QFIPXVFZSA-N 1 0 317.432 4.456 40 0 DIABRO CC(C)(C)OC(=O)n1ccc2c1cccc2[C@@H]([NH3+])c1ccccc1 ZINC000096509807 563485840 /nfs/dbraw/zinc/48/58/40/563485840.db2.gz DJGXLJIGMKIIGC-SFHVURJKSA-N 1 0 322.408 4.473 40 0 DIABRO Cc1ccc(CN2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)o1 ZINC000096058320 563532100 /nfs/dbraw/zinc/53/21/00/563532100.db2.gz ZCLVVDRYRGXWIO-ACRUOGEOSA-N 1 0 324.468 4.199 40 0 DIABRO COc1cc(C[NH2+][C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc(OC)c1 ZINC000048260482 563574761 /nfs/dbraw/zinc/57/47/61/563574761.db2.gz VBJLJOVEFPWEFT-POZUXBRTSA-N 1 0 303.446 4.008 40 0 DIABRO CC[NH2+][C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118935691 563594117 /nfs/dbraw/zinc/59/41/17/563594117.db2.gz ULMJJEKBONMJLW-VTZQMFNYSA-N 1 0 317.517 4.288 40 0 DIABRO C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000000411475 563611670 /nfs/dbraw/zinc/61/16/70/563611670.db2.gz LEMNCDPTRIEGFF-LPHOPBHVSA-N 1 0 322.452 4.460 40 0 DIABRO c1csc(COc2ccc(C[NH2+]Cc3ccccn3)cc2)c1 ZINC000007365255 563640672 /nfs/dbraw/zinc/64/06/72/563640672.db2.gz JZLKDCUEFPQUFH-UHFFFAOYSA-N 1 0 310.422 4.012 40 0 DIABRO Cc1cc(C)cc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000010324240 563648444 /nfs/dbraw/zinc/64/84/44/563648444.db2.gz GJBFHGRCRLCPFK-UHFFFAOYSA-N 1 0 308.425 4.152 40 0 DIABRO CC(C)C(NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(C)C ZINC000010359698 563648596 /nfs/dbraw/zinc/64/85/96/563648596.db2.gz PFIGWSZAAFXTFG-UHFFFAOYSA-N 1 0 316.489 4.083 40 0 DIABRO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000012480830 563652256 /nfs/dbraw/zinc/65/22/56/563652256.db2.gz QVFUNEBSLGINDD-UHFFFAOYSA-N 1 0 315.363 4.060 40 0 DIABRO O[C@@]12C[C@H](c3ccccc3)[N@H+](Cc3ccccc3)[C@@H]1CCCC2 ZINC000219773838 563721735 /nfs/dbraw/zinc/72/17/35/563721735.db2.gz RIWFQVVQINEPLK-NJYVYQBISA-N 1 0 307.437 4.307 40 0 DIABRO O[C@@]12C[C@@H](c3ccccc3)[N@H+](Cc3ccccc3)[C@@H]1CCCC2 ZINC000219773761 563721830 /nfs/dbraw/zinc/72/18/30/563721830.db2.gz RIWFQVVQINEPLK-HBMCJLEFSA-N 1 0 307.437 4.307 40 0 biogenic DIABRO NC1=[NH+]N(c2ccc(C(F)(F)F)cc2)[C@H](c2ccc(F)cc2)C1 ZINC000222548693 563725986 /nfs/dbraw/zinc/72/59/86/563725986.db2.gz BQYDTSDJQOGKBB-AWEZNQCLSA-N 1 0 323.293 4.068 40 0 DIABRO CC(C)C[N@@H+]1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257216061 563790322 /nfs/dbraw/zinc/79/03/22/563790322.db2.gz CSYBCMGZNZLOST-INIZCTEOSA-N 1 0 316.420 4.240 40 0 DIABRO Fc1ccccc1CN1CCCC[C@H]1c1ncn2ccsc12 ZINC000257229221 563791065 /nfs/dbraw/zinc/79/10/65/563791065.db2.gz FXGIDOOJXUTDHF-HNNXBMFYSA-N 1 0 315.417 4.262 40 0 DIABRO CCC[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000007262405 563832121 /nfs/dbraw/zinc/83/21/21/563832121.db2.gz QORKZEPUUHYODP-UHFFFAOYSA-N 1 0 319.832 4.427 40 0 DIABRO [NH3+]Cc1ccc(-c2nc3ccc(Cl)cc3c3c2CCCO3)cc1 ZINC000575410985 563855949 /nfs/dbraw/zinc/85/59/49/563855949.db2.gz WLAWACJGWRQAIR-UHFFFAOYSA-N 1 0 324.811 4.339 40 0 DIABRO CCCOc1ccc(C(=O)[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000003068305 563941931 /nfs/dbraw/zinc/94/19/31/563941931.db2.gz XPCSEUAVZBRTEN-IBGZPJMESA-N 1 0 311.425 4.004 40 0 DIABRO Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](Cc1ccoc1)CC3 ZINC000001565943 568412236 /nfs/dbraw/zinc/41/22/36/568412236.db2.gz RDALYHSEPOUIRE-CEWLAPEOSA-N 1 0 323.436 4.244 40 0 DIABRO CCC[C@@H](C)OC(=O)C[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000001569405 568412269 /nfs/dbraw/zinc/41/22/69/568412269.db2.gz RRODMYNEUWOESW-AEFFLSMTSA-N 1 0 303.446 4.336 40 0 DIABRO O=C1CCC[C@H]2[C@@H]1[C@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC001547139819 1058238582 /nfs/dbraw/zinc/23/85/82/1058238582.db2.gz NVSZUEYKAZDGCT-ZJOUEHCJSA-N 1 0 305.421 4.024 40 0 DIABRO CCn1c2ccccc2c2cc(C[NH2+]Cc3ccncc3)ccc21 ZINC000006871197 190625583 /nfs/dbraw/zinc/62/55/83/190625583.db2.gz MPCSKWKGPXQPGE-UHFFFAOYSA-N 1 0 315.420 4.499 40 0 DIABRO Cc1nccn1-c1cccc([C@@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000072379141 191141466 /nfs/dbraw/zinc/14/14/66/191141466.db2.gz UCFWEJOCIUJCGZ-QGZVFWFLSA-N 1 0 324.472 4.088 40 0 DIABRO CC[C@@H](c1ccc(O)cc1)[C@H](CC)c1ccc(OCC[NH3+])cc1 ZINC000001591274 180876604 /nfs/dbraw/zinc/87/66/04/180876604.db2.gz OPCKIVCLTXGHRZ-VQTJNVASSA-N 1 0 313.441 4.417 40 0 DIABRO O[C@H](c1cc(C2CCCCC2)nc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000001729643 180893072 /nfs/dbraw/zinc/89/30/72/180893072.db2.gz TXNJKGIJVCAFQP-TZIWHRDSSA-N 1 0 324.468 4.458 40 0 DIABRO CCn1c2ccccc2c2c1[C@](C)(CC[NH+](C)C)SCC2 ZINC000002020075 180906254 /nfs/dbraw/zinc/90/62/54/180906254.db2.gz BRPOADLGOFPKKJ-SFHVURJKSA-N 1 0 302.487 4.117 40 0 in-man DIABRO CCC(=O)O[C@@]1(c2ccccc2)C[C@@H](C(C)(C)C)C[N@H+](C)[C@@H]1C ZINC000004594141 181128148 /nfs/dbraw/zinc/12/81/48/181128148.db2.gz HXMYADUYVHAIOZ-MDYRTPRTSA-N 1 0 317.473 4.221 40 0 DIABRO CCC[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)[C@@H]1O ZINC000004652791 181131952 /nfs/dbraw/zinc/13/19/52/181131952.db2.gz GCUZTKRRUTYKPX-JMMIECQRSA-N 1 0 309.453 4.486 40 0 DIABRO C[N@@H+]1CC[C@@H](O[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000004744326 181145931 /nfs/dbraw/zinc/14/59/31/181145931.db2.gz CMARNPIDSNAMJM-MSOLQXFVSA-N 1 0 301.817 4.150 40 0 in-man DIABRO CC1(C)[C@H]2CC[C@H](C2)[C@@H]1C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000005492734 181249212 /nfs/dbraw/zinc/24/92/12/181249212.db2.gz MLTMAMPTDYDEJA-IMFGXOCKSA-N 1 0 311.469 4.076 40 0 DIABRO COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CC1)CC3 ZINC000005766102 181282401 /nfs/dbraw/zinc/28/24/01/181282401.db2.gz PSWCBSBDTUQQIX-CEWLAPEOSA-N 1 0 311.469 4.164 40 0 DIABRO Cc1cc(OC[C@H](O)C[N@H+](C)C2CCCCC2)ccc1C(C)C ZINC000006008656 181305458 /nfs/dbraw/zinc/30/54/58/181305458.db2.gz RHJQCYHOOZGEOK-GOSISDBHSA-N 1 0 319.489 4.123 40 0 DIABRO COc1cc2c(cc1OC)[C@H](C1CCCCC1)[NH2+]C(C)(C)C2 ZINC000006393117 181337381 /nfs/dbraw/zinc/33/73/81/181337381.db2.gz LWVHLUFONCPCLO-SFHVURJKSA-N 1 0 303.446 4.250 40 0 DIABRO O=C(C[C@@H](c1ccccc1)[NH+]1CCCCC1)OC1CCCCC1 ZINC000006582081 181357296 /nfs/dbraw/zinc/35/72/96/181357296.db2.gz IACAVAYUXQMBHW-IBGZPJMESA-N 1 0 315.457 4.480 40 0 DIABRO Cc1ccsc1C[N@@H+]1CCCC[C@@H]1c1ncn2ccsc12 ZINC000257340913 203063219 /nfs/dbraw/zinc/06/32/19/203063219.db2.gz ZIBUYDFPSPXUGZ-CYBMUJFWSA-N 1 0 317.483 4.493 40 0 DIABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c2ccccn12 ZINC000019240670 182111868 /nfs/dbraw/zinc/11/18/68/182111868.db2.gz UYHZAKAZKBCEGR-KRWDZBQOSA-N 1 0 323.415 4.161 40 0 DIABRO Cc1nc([C@H]2CCC[N@H+](CCc3ccccc3)C2)c2ccccn12 ZINC000019240664 182112173 /nfs/dbraw/zinc/11/21/73/182112173.db2.gz NIMOGNJKBGGHHD-IBGZPJMESA-N 1 0 319.452 4.065 40 0 DIABRO Clc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2[NH2+]C[C@@H]2CCOC2)cc1 ZINC000019336274 182117055 /nfs/dbraw/zinc/11/70/55/182117055.db2.gz PEGLNXLVCZXCRE-DYTYQCPDSA-N 1 0 319.876 4.238 40 0 DIABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cc1 ZINC000019346907 182117570 /nfs/dbraw/zinc/11/75/70/182117570.db2.gz JYFVHGFLSFULOP-MRXNPFEDSA-N 1 0 309.388 4.082 40 0 DIABRO COc1ccccc1C[N@@H+]1CC[C@H](c2cc3ccccc3cn2)C1 ZINC000019570064 182130041 /nfs/dbraw/zinc/13/00/41/182130041.db2.gz DCSQSCQYAHKNNV-SFHVURJKSA-N 1 0 318.420 4.233 40 0 DIABRO COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2cccnc2)cc1 ZINC000019557601 182130257 /nfs/dbraw/zinc/13/02/57/182130257.db2.gz NMNHVLOJRAIBPU-TUFLPTIASA-N 1 0 322.452 4.152 40 0 DIABRO COc1cccc2ccc(C[NH2+]C3(c4cccc(F)c4)CC3)nc21 ZINC000019568478 182130276 /nfs/dbraw/zinc/13/02/76/182130276.db2.gz OYYGHYSBSQMTKW-UHFFFAOYSA-N 1 0 322.383 4.161 40 0 DIABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000020490338 182223471 /nfs/dbraw/zinc/22/34/71/182223471.db2.gz VBCDWYNUVUSLHX-HXUWFJFHSA-N 1 0 322.452 4.164 40 0 DIABRO Brc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000022073750 182307578 /nfs/dbraw/zinc/30/75/78/182307578.db2.gz SVQVBIFWCYDYER-UHFFFAOYSA-N 1 0 320.274 4.363 40 0 DIABRO CCOc1c(Cl)cc(C[NH2+]CCc2ccccc2)cc1OC ZINC000022074371 182307900 /nfs/dbraw/zinc/30/79/00/182307900.db2.gz KQDOOTASKNUYOD-UHFFFAOYSA-N 1 0 319.832 4.080 40 0 DIABRO O=C(CN(C1=[NH+]CCCCC1)C1CCCCC1)c1ccccc1 ZINC000041104945 183165894 /nfs/dbraw/zinc/16/58/94/183165894.db2.gz FMEGAANJPUCSOA-UHFFFAOYSA-N 1 0 312.457 4.477 40 0 DIABRO Cc1ccc(C[N@@H+](CCCOC(C)C)Cc2ccncc2)s1 ZINC000057797119 184052977 /nfs/dbraw/zinc/05/29/77/184052977.db2.gz RMZCFGBGGALXHU-UHFFFAOYSA-N 1 0 318.486 4.269 40 0 DIABRO Cc1cc(N(C)c2ccccc2)ncc1[C@H]([NH3+])c1ccccc1 ZINC000072223351 257123109 /nfs/dbraw/zinc/12/31/09/257123109.db2.gz LHLAVRNQBKXCKU-HXUWFJFHSA-N 1 0 303.409 4.206 40 0 DIABRO Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1N(C)Cc1ccccc1 ZINC000072222367 257123435 /nfs/dbraw/zinc/12/34/35/257123435.db2.gz CIKVFEOMBBNIHE-FQEVSTJZSA-N 1 0 317.436 4.075 40 0 DIABRO [NH3+][C@@H](c1ccccc1)c1ccc(N2CCCc3ccccc32)nc1 ZINC000072225795 257123731 /nfs/dbraw/zinc/12/37/31/257123731.db2.gz VQWSTYMVPSIJGD-NRFANRHFSA-N 1 0 315.420 4.214 40 0 DIABRO Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1N1CCc2ccccc21 ZINC000072222910 257123741 /nfs/dbraw/zinc/12/37/41/257123741.db2.gz FTMRSNVQJAHKAI-FQEVSTJZSA-N 1 0 315.420 4.132 40 0 DIABRO Cc1cc([C@H]2CCCC[N@H+]2C(C)C)cnc1N1CCCCC1 ZINC000072219181 257124131 /nfs/dbraw/zinc/12/41/31/257124131.db2.gz DMFYMBVLHYTBMO-GOSISDBHSA-N 1 0 301.478 4.316 40 0 DIABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216722 257125629 /nfs/dbraw/zinc/12/56/29/257125629.db2.gz LOAPWGDINOWBKU-GOSISDBHSA-N 1 0 301.478 4.397 40 0 DIABRO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[NH2+]2)cn1 ZINC000072215084 257126383 /nfs/dbraw/zinc/12/63/83/257126383.db2.gz LZCRGBAWRYWLEX-DZGCQCFKSA-N 1 0 319.449 4.046 40 0 DIABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214337 257126488 /nfs/dbraw/zinc/12/64/88/257126488.db2.gz NOGLBSNNOHBEEP-HNNXBMFYSA-N 1 0 319.449 4.366 40 0 DIABRO CCN(C)c1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072212803 257127098 /nfs/dbraw/zinc/12/70/98/257127098.db2.gz AXHJWLDWGDEWNG-LJQANCHMSA-N 1 0 309.457 4.265 40 0 DIABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212960 257127266 /nfs/dbraw/zinc/12/72/66/257127266.db2.gz XWJXGOHKTDZUNP-SFHVURJKSA-N 1 0 303.494 4.498 40 0 DIABRO c1ccc(CCc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000001583778 563286400 /nfs/dbraw/zinc/28/64/00/563286400.db2.gz ABTZZBQZXXTIID-UHFFFAOYSA-N 1 0 309.453 4.337 40 0 DIABRO C[NH2+][C@@H](C)[C@@H](Nc1cc(OC)cc2cccnc21)c1ccccc1 ZINC000001656111 563289168 /nfs/dbraw/zinc/28/91/68/563289168.db2.gz LNRSSOUKXAJCEX-IFXJQAMLSA-N 1 0 321.424 4.005 40 0 DIABRO C[C@H](C[NH+](C)C)[C@@](O)(c1ccc(Cl)cc1)C1CCCCC1 ZINC000001698634 563291897 /nfs/dbraw/zinc/29/18/97/563291897.db2.gz GYKTWUOGJHJSJV-KDOFPFPSSA-N 1 0 309.881 4.306 40 0 DIABRO CC[NH+](CC)CCOC(=O)[C@@H](c1ccccc1)[C@@H]1C=CCCC1 ZINC000001710809 563292562 /nfs/dbraw/zinc/29/25/62/563292562.db2.gz SGFGQSKEXCCYTI-MOPGFXCFSA-N 1 0 315.457 4.012 40 0 DIABRO OCC[N@H+](Cc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000001745177 563294752 /nfs/dbraw/zinc/29/47/52/563294752.db2.gz FWZVKZNNACLWTD-UHFFFAOYSA-N 1 0 317.432 4.271 40 0 DIABRO CC[NH+](CC)CCC[C@H](C)Nc1cc(OC)cc2cccnc21 ZINC000001996070 563297904 /nfs/dbraw/zinc/29/79/04/563297904.db2.gz QTQWMSOQOSJFBV-HNNXBMFYSA-N 1 0 315.461 4.166 40 0 in-man DIABRO CCCC[N@@H+]1CC[C@@H](CNc2ccnc3cc(Cl)ccc32)C1 ZINC000002048046 563298221 /nfs/dbraw/zinc/29/82/21/563298221.db2.gz POCBOQIQIWTVTO-AWEZNQCLSA-N 1 0 317.864 4.422 40 0 DIABRO CC(C)(CO)[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000006883161 563334696 /nfs/dbraw/zinc/33/46/96/563334696.db2.gz PUTMTWORLCLHIY-UHFFFAOYSA-N 1 0 314.212 4.114 40 0 DIABRO CCCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1F ZINC000007261737 563337244 /nfs/dbraw/zinc/33/72/44/563337244.db2.gz WSKSXRQYHBHKFY-UHFFFAOYSA-N 1 0 317.404 4.303 40 0 DIABRO CCOc1c(C[NH2+]C23CC4CC(CC(C4)C2)C3)cccc1OC ZINC000008253454 563345481 /nfs/dbraw/zinc/34/54/81/563345481.db2.gz LXRYHGNLNXMCJX-UHFFFAOYSA-N 1 0 315.457 4.152 40 0 DIABRO CCOc1ccc(C[NH2+]Cc2ccccc2Cl)cc1OC ZINC000008324713 563345900 /nfs/dbraw/zinc/34/59/00/563345900.db2.gz BMBIPOLNYZQJON-UHFFFAOYSA-N 1 0 305.805 4.037 40 0 DIABRO Cc1cc(C)c(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c(C)c1 ZINC000010330878 563356033 /nfs/dbraw/zinc/35/60/33/563356033.db2.gz TUPLZTBKVDGSKZ-UHFFFAOYSA-N 1 0 322.452 4.460 40 0 DIABRO C/C1=C\[C@@H]2OC(=O)[C@H](C[NH+]3CCCCC3)[C@@H]2CC/C=C(/C)CC1 ZINC000013136368 563379032 /nfs/dbraw/zinc/37/90/32/563379032.db2.gz BYFVAWVWHDPHGP-PSFPTMKISA-N 1 0 317.473 4.097 40 0 DIABRO c1nc(Nc2cc([C@H]3CCC[NH2+]3)ccn2)sc1-c1ccccc1 ZINC000143327449 563429162 /nfs/dbraw/zinc/42/91/62/563429162.db2.gz MCWXTOTZXJVXAQ-OAHLLOKOSA-N 1 0 322.437 4.373 40 0 DIABRO CC[C@H](C)[N@@H+]1CCC[C@@]2(CCC(=O)N2CC2CCCCC2)CC1 ZINC000585100296 563516836 /nfs/dbraw/zinc/51/68/36/563516836.db2.gz JVUXNZYQENGYRY-FXAWDEMLSA-N 1 0 320.521 4.212 40 0 DIABRO O[C@@H]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC000095951716 563531331 /nfs/dbraw/zinc/53/13/31/563531331.db2.gz ASUIJTQOWIPBJV-GXRSIYKFSA-N 1 0 321.464 4.206 40 0 DIABRO CO[C@H]1CC2(CC[NH+](Cc3ccncc3)CC2)c2ccc(C)cc21 ZINC000096100203 563533377 /nfs/dbraw/zinc/53/33/77/563533377.db2.gz RVSGUDIPMISTEE-FQEVSTJZSA-N 1 0 322.452 4.015 40 0 DIABRO CC[NH+](CC)CCOc1cccc(F)c1Oc1ccccc1 ZINC000585264994 563537052 /nfs/dbraw/zinc/53/70/52/563537052.db2.gz AVOSIRQQRCEZQU-UHFFFAOYSA-N 1 0 303.377 4.339 40 0 DIABRO Fc1cccc(OCC[NH+]2CCCC2)c1Oc1ccccc1 ZINC000585265639 563537167 /nfs/dbraw/zinc/53/71/67/563537167.db2.gz VVJCPPRIVKDGIG-UHFFFAOYSA-N 1 0 301.361 4.093 40 0 DIABRO C[N@@H+]1CCC[C@@H]1CCOc1cccc(F)c1Oc1ccccc1 ZINC000585266227 563537200 /nfs/dbraw/zinc/53/72/00/563537200.db2.gz QSWNUGRGGLANIM-OAHLLOKOSA-N 1 0 315.388 4.481 40 0 DIABRO C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118925989 563593513 /nfs/dbraw/zinc/59/35/13/563593513.db2.gz VIQFMADXQMGZER-HUTKLZKUSA-N 1 0 319.533 4.353 40 0 DIABRO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3[C@H]1CC=C(C)C[C@@H]1C ZINC000001323090 563620327 /nfs/dbraw/zinc/62/03/27/563620327.db2.gz SSBXMBLMSWKYIH-RFUYNDQBSA-N 1 0 310.441 4.356 40 0 DIABRO CCC[NH2+]Cc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000007262362 563639907 /nfs/dbraw/zinc/63/99/07/563639907.db2.gz VJIWBVKZPQJPIR-UHFFFAOYSA-N 1 0 319.832 4.427 40 0 DIABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]C(C)(C)C)o2)cc1 ZINC000008253093 563642206 /nfs/dbraw/zinc/64/22/06/563642206.db2.gz UNZBMNPMLSCKNN-UHFFFAOYSA-N 1 0 301.386 4.011 40 0 DIABRO CCOc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1OC ZINC000008324678 563642436 /nfs/dbraw/zinc/64/24/36/563642436.db2.gz QXKJQLJYCWNSSQ-UHFFFAOYSA-N 1 0 315.457 4.008 40 0 DIABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 ZINC000049169367 563701195 /nfs/dbraw/zinc/70/11/95/563701195.db2.gz CKDGOWUAGAVDGI-SFHVURJKSA-N 1 0 319.408 4.035 40 0 biogenic,in-vitro DIABRO COc1cc(C[NH2+]C(C)(C)C)ccc1OCc1ccc(F)cc1 ZINC000006882541 563831954 /nfs/dbraw/zinc/83/19/54/563831954.db2.gz YGXAZRIKWXOLMQ-UHFFFAOYSA-N 1 0 317.404 4.301 40 0 DIABRO CC[C@@H](C)Nc1cc(N2CCc3ccccc3C2)nc(C(C)C)[nH+]1 ZINC000328967229 563832810 /nfs/dbraw/zinc/83/28/10/563832810.db2.gz CRKHIRVOFVRMBR-OAHLLOKOSA-N 1 0 324.472 4.373 40 0 DIABRO CCNc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C(C)C)[nH+]1 ZINC000329046514 563833575 /nfs/dbraw/zinc/83/35/75/563833575.db2.gz UBMMMZGDOXJOJZ-UHFFFAOYSA-N 1 0 324.472 4.330 40 0 DIABRO Cc1cc(N2Cc3ccccc3C[C@@H]2C)nc(NC2CCCC2)[nH+]1 ZINC000329034820 563833933 /nfs/dbraw/zinc/83/39/33/563833933.db2.gz RAKXWPVCIOIRNE-HNNXBMFYSA-N 1 0 322.456 4.091 40 0 DIABRO O=C(Nc1cccc(Cl)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010328134 563922667 /nfs/dbraw/zinc/92/26/67/563922667.db2.gz VSFITRUJJSTFAL-UHFFFAOYSA-N 1 0 314.816 4.188 40 0 DIABRO O=[N+]1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)C1c1ccccc1 ZINC000001561997 568412243 /nfs/dbraw/zinc/41/22/43/568412243.db2.gz OSAUDCINISZLBG-FPOVZHCZSA-N 1 0 315.372 4.456 40 0 DIABRO Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@@H+](Cc1ccoc1)CC3 ZINC000001565944 568412245 /nfs/dbraw/zinc/41/22/45/568412245.db2.gz RDALYHSEPOUIRE-HMXCVIKNSA-N 1 0 323.436 4.244 40 0 DIABRO CCc1ccc(C[N@@H+](Cc2sccc2C)C[C@@H](C)O)cc1 ZINC000013991367 1041502546 /nfs/dbraw/zinc/50/25/46/1041502546.db2.gz YTLUXBFFPHILTM-OAHLLOKOSA-N 1 0 303.471 4.002 40 0 DIABRO c1nc([C@@H]2CCC[N@H+]2C2CCC2)c2ccc(-c3cccnc3)cn12 ZINC000306124631 231082988 /nfs/dbraw/zinc/08/29/88/231082988.db2.gz BVKQAXXOAIZESC-IBGZPJMESA-N 1 0 318.424 4.086 40 0 DIABRO Cc1ccc2oc(-c3ccc[n+](Cc4cccc(F)c4)c3)nc2c1 ZINC000226308205 201775707 /nfs/dbraw/zinc/77/57/07/201775707.db2.gz BTBFAOSXDZJDCD-UHFFFAOYSA-N 1 0 319.359 4.278 40 0 DIABRO C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072357524 191131014 /nfs/dbraw/zinc/13/10/14/191131014.db2.gz XLBYJDVNOCGMRG-KRWDZBQOSA-N 1 0 320.358 4.458 40 0 DIABRO O=C(C[C@H](c1ccccc1)[NH+]1CCCCC1)OC1CCCCC1 ZINC000001569385 180874270 /nfs/dbraw/zinc/87/42/70/180874270.db2.gz IACAVAYUXQMBHW-LJQANCHMSA-N 1 0 315.457 4.480 40 0 DIABRO C[C@@H](C[NH+](C)C)[C@@](O)(c1ccc(Cl)cc1)C1CCCCC1 ZINC000001698633 180889138 /nfs/dbraw/zinc/88/91/38/180889138.db2.gz GYKTWUOGJHJSJV-KSSFIOAISA-N 1 0 309.881 4.306 40 0 DIABRO CC[NH+](CC)Cc1ccccc1COC(=O)/C=C/c1ccccc1 ZINC000001716125 180890906 /nfs/dbraw/zinc/89/09/06/180890906.db2.gz AZFOHNWKWORRRX-CCEZHUSRSA-N 1 0 323.436 4.285 40 0 DIABRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@]1(OC(=O)c1ccccc1)c1ccccc1 ZINC000004011833 181062058 /nfs/dbraw/zinc/06/20/58/181062058.db2.gz ADUJECNUNSENPU-LLGFUMIMSA-N 1 0 323.436 4.099 40 0 DIABRO CC(C)[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(C)O ZINC000004162263 181079798 /nfs/dbraw/zinc/07/97/98/181079798.db2.gz LDCYUQWOTSEZCL-DOIPELPJSA-N 1 0 309.453 4.486 40 0 DIABRO CCCCC[C@@H](C)[NH2+]C[C@H](O)Cc1ccc(OCCCC)cc1 ZINC000004721970 181142162 /nfs/dbraw/zinc/14/21/62/181142162.db2.gz BEIBQSJRJBTTMQ-IEBWSBKVSA-N 1 0 321.505 4.327 40 0 DIABRO OCC[C@H]1CCCC[N@@H+]1[C@H](Cc1ccccc1)c1ccccc1 ZINC000004777673 181151380 /nfs/dbraw/zinc/15/13/80/181151380.db2.gz INMDWRODOYMYGJ-NHCUHLMSSA-N 1 0 309.453 4.207 40 0 DIABRO CCC[N@H+](CCNc1cc(OC)cc2cccnc21)[C@@H](C)CC ZINC000005838731 181288630 /nfs/dbraw/zinc/28/86/30/181288630.db2.gz RCVJKZIMWUDHPW-HNNXBMFYSA-N 1 0 315.461 4.166 40 0 DIABRO CC(=O)[C@](CCc1ccccc1)(CC[NH+](C)C)c1ccccc1 ZINC000005883881 181293248 /nfs/dbraw/zinc/29/32/48/181293248.db2.gz HIGLEGFIFRRHOW-NRFANRHFSA-N 1 0 309.453 4.098 40 0 DIABRO CCCCCOC(=O)C[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000005973241 181302829 /nfs/dbraw/zinc/30/28/29/181302829.db2.gz YOCFAWSYGSKHED-SFHVURJKSA-N 1 0 303.446 4.337 40 0 DIABRO CCC[C@@H](O)C[N@H+](C)Cc1cc2c(c3ccccc13)CCCC2 ZINC000006381273 181335876 /nfs/dbraw/zinc/33/58/76/181335876.db2.gz UOHIGTSTTORWPE-GOSISDBHSA-N 1 0 311.469 4.311 40 0 DIABRO Cc1cccc(Nc2cccc(C3CC[NH+](CC4CC4)CC3)n2)n1 ZINC000257307668 203031103 /nfs/dbraw/zinc/03/11/03/203031103.db2.gz SZTGZQDCISWWJM-UHFFFAOYSA-N 1 0 322.456 4.118 40 0 DIABRO Cc1nc([C@]2(C)CCC[N@@H+](C3CCCC3)C2)c2sccn12 ZINC000257328766 203053750 /nfs/dbraw/zinc/05/37/50/203053750.db2.gz XHAMWHGSGPGOGZ-QGZVFWFLSA-N 1 0 303.475 4.000 40 0 DIABRO COc1cc(C[NH2+]CC(C)C)ccc1OCc1ccccc1C ZINC000016362753 182042239 /nfs/dbraw/zinc/04/22/39/182042239.db2.gz FZHKXROZWSJQGQ-UHFFFAOYSA-N 1 0 313.441 4.328 40 0 DIABRO c1ccc(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)cc2)cc1 ZINC000016493163 182047389 /nfs/dbraw/zinc/04/73/89/182047389.db2.gz LCZNYTPFEVDXAN-UHFFFAOYSA-N 1 0 317.388 4.372 40 0 DIABRO C[C@@H]1C[N@@H+](C[C@@H]2CCCCCCCCCCC2=O)C[C@H](C)O1 ZINC000016911530 182064184 /nfs/dbraw/zinc/06/41/84/182064184.db2.gz KSYWAODCCAPCLX-KSZLIROESA-N 1 0 309.494 4.196 40 0 DIABRO Cc1ccc(C[N@@H+](C)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1C ZINC000019213909 182107306 /nfs/dbraw/zinc/10/73/06/182107306.db2.gz KQHBGMDBUUTCGF-VQTJNVASSA-N 1 0 313.416 4.057 40 0 DIABRO Clc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]C[C@@H]2CCOC2)cc1 ZINC000019336261 182116708 /nfs/dbraw/zinc/11/67/08/182116708.db2.gz PEGLNXLVCZXCRE-QFHLCROWSA-N 1 0 319.876 4.238 40 0 DIABRO Fc1ccccc1C[NH+]1CCC(c2cc3ncccc3[nH]2)CC1 ZINC000019348903 182118089 /nfs/dbraw/zinc/11/80/89/182118089.db2.gz ACYJRBMWPPAOHI-UHFFFAOYSA-N 1 0 309.388 4.082 40 0 DIABRO c1c2ccccc2oc1C[NH+]1CCC(COc2ccccn2)CC1 ZINC000019376280 182120856 /nfs/dbraw/zinc/12/08/56/182120856.db2.gz XGFMHMDPNCFSEE-UHFFFAOYSA-N 1 0 322.408 4.119 40 0 DIABRO c1cc(-c2cc(Nc3ccccc3)nc([C@@H]3CC[NH2+]C3)n2)cs1 ZINC000019373339 182121148 /nfs/dbraw/zinc/12/11/48/182121148.db2.gz WZGGPXZXHJYRGO-CYBMUJFWSA-N 1 0 322.437 4.026 40 0 DIABRO CCc1ncc(C[NH2+][C@@H]2[C@@H](c3ccccc3)[C@H]3CCCC[C@@H]32)cn1 ZINC000019523477 182128136 /nfs/dbraw/zinc/12/81/36/182128136.db2.gz GBYOZGRWZPBBCJ-QIJZPMMNSA-N 1 0 321.468 4.101 40 0 DIABRO CCc1ncc(C[NH2+][C@@H]2[C@@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)cn1 ZINC000019523479 182128422 /nfs/dbraw/zinc/12/84/22/182128422.db2.gz GBYOZGRWZPBBCJ-ZFMNYDKASA-N 1 0 321.468 4.101 40 0 DIABRO CCn1ncc(C[N@@H+]2C[C@H](c3ccccc3)C3(CCCC3)C2)c1C ZINC000019523923 182128679 /nfs/dbraw/zinc/12/86/79/182128679.db2.gz UXBMIMQTOMEVBN-HXUWFJFHSA-N 1 0 323.484 4.371 40 0 DIABRO COc1ccc2ccccc2c1C[NH2+]CCc1ccc(F)cc1 ZINC000022074678 182307794 /nfs/dbraw/zinc/30/77/94/182307794.db2.gz QWJWEZWXZULWFO-UHFFFAOYSA-N 1 0 309.384 4.320 40 0 DIABRO [NH3+][C@H](c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N1C1CCCCC1 ZINC000022588090 182327011 /nfs/dbraw/zinc/32/70/11/182327011.db2.gz QHUYQHXMNCGJAS-VCJJEUFXSA-N 1 0 306.453 4.445 40 0 DIABRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000022532841 182325526 /nfs/dbraw/zinc/32/55/26/182325526.db2.gz HRCWRRNLONIKPK-QGZVFWFLSA-N 1 0 322.452 4.082 40 0 DIABRO CC[NH+](CC)C[C@@H]1c2ccccc2[C@@H](CNc2ccccc2)N1C ZINC000022858992 182337548 /nfs/dbraw/zinc/33/75/48/182337548.db2.gz BFTKLTXWDUKHIE-NHCUHLMSSA-N 1 0 323.484 4.168 40 0 DIABRO C[C@H]1CCCC[C@H]1NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000040155737 183040564 /nfs/dbraw/zinc/04/05/64/183040564.db2.gz CDWKJPACYVRXMX-WDYCEAGBSA-N 1 0 316.489 4.058 40 0 DIABRO CC[NH2+][C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118935689 194942162 /nfs/dbraw/zinc/94/21/62/194942162.db2.gz ULMJJEKBONMJLW-YUDLKVPISA-N 1 0 317.517 4.288 40 0 DIABRO CCOc1cc(C[NH2+]CC(C)C)ccc1OCc1cccs1 ZINC000008254737 256523102 /nfs/dbraw/zinc/52/31/02/256523102.db2.gz LYWVAPQWAWXJMI-UHFFFAOYSA-N 1 0 319.470 4.471 40 0 DIABRO Cc1nc(NCc2ccccc2)ccc1[C@@H]([NH3+])c1ccccc1 ZINC000072224421 257123300 /nfs/dbraw/zinc/12/33/00/257123300.db2.gz ZBJXICCBSBFANG-FQEVSTJZSA-N 1 0 303.409 4.050 40 0 DIABRO Cc1nc(OCc2ccccc2)ccc1[C@@H]([NH3+])c1ccccc1 ZINC000072224475 257123427 /nfs/dbraw/zinc/12/34/27/257123427.db2.gz NEYPIGSIWFNNEN-FQEVSTJZSA-N 1 0 304.393 4.017 40 0 DIABRO Cc1cc(N2CCCC2)ncc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072218849 257124475 /nfs/dbraw/zinc/12/44/75/257124475.db2.gz RIWYUERLBIOFKN-FQEVSTJZSA-N 1 0 321.468 4.327 40 0 DIABRO Cc1cc(N2CCCCC2)ncc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072219224 257124589 /nfs/dbraw/zinc/12/45/89/257124589.db2.gz ZUNJJXVLVBBIJK-GOSISDBHSA-N 1 0 301.478 4.173 40 0 DIABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216706 257125221 /nfs/dbraw/zinc/12/52/21/257125221.db2.gz NINBJCWQBVHBQM-SFHVURJKSA-N 1 0 301.478 4.255 40 0 DIABRO CCC(C(=O)[C@@H](C)C[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000001577551 257231362 /nfs/dbraw/zinc/23/13/62/257231362.db2.gz FGGFXBCANDWASR-KRWDZBQOSA-N 1 0 309.453 4.150 40 0 DIABRO CC(C)(C)OC(=O)CC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000047218996 331723659 /nfs/dbraw/zinc/72/36/59/331723659.db2.gz CPEGCQWBBDVIMB-UHFFFAOYSA-N 1 0 311.425 4.097 40 0 DIABRO C[N@@H+]1CCCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000001319936 563271048 /nfs/dbraw/zinc/27/10/48/563271048.db2.gz WEUCDJCFJHYFRL-LJQANCHMSA-N 1 0 314.860 4.067 40 0 in-man DIABRO CC[NH+]1CCC2(CC1)O[C@H](c1ccccc1)[C@@H](c1ccccc1)O2 ZINC000001577623 563285640 /nfs/dbraw/zinc/28/56/40/563285640.db2.gz HNPJXEXYTWKYEH-WOJBJXKFSA-N 1 0 323.436 4.328 40 0 DIABRO CCC(=O)C(CCC[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000001577341 563285780 /nfs/dbraw/zinc/28/57/80/563285780.db2.gz WDAZWNUACIUHAO-UHFFFAOYSA-N 1 0 309.453 4.294 40 0 DIABRO CCCC[NH2+][C@H](C(=O)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000001593700 563286758 /nfs/dbraw/zinc/28/67/58/563286758.db2.gz YCAMJWACOMDXTF-IBGZPJMESA-N 1 0 310.441 4.066 40 0 DIABRO CCC[NH2+]CCC[C@@H](C)Nc1cc(OC)cc2c(C)ccnc12 ZINC000001600860 563287575 /nfs/dbraw/zinc/28/75/75/563287575.db2.gz BYIRFUCUJGFGLW-OAHLLOKOSA-N 1 0 315.461 4.132 40 0 DIABRO O=C(O[C@@H]1C[NH+]2CCC1CC2)N(c1ccccc1)c1ccccc1 ZINC000001641788 563288507 /nfs/dbraw/zinc/28/85/07/563288507.db2.gz IJIHPPHWXPHTRG-LJQANCHMSA-N 1 0 322.408 4.056 40 0 DIABRO CCC[NH+](CCC)CCCNc1cc(OC)cc2cccnc21 ZINC000001656140 563289301 /nfs/dbraw/zinc/28/93/01/563289301.db2.gz QUVANZXEPIYRSP-UHFFFAOYSA-N 1 0 315.461 4.167 40 0 DIABRO CC[NH+](CC)CCOC(=O)[C@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000001710812 563292621 /nfs/dbraw/zinc/29/26/21/563292621.db2.gz SGFGQSKEXCCYTI-RBUKOAKNSA-N 1 0 315.457 4.012 40 0 DIABRO Cc1ccc([C@](O)(C[NH2+]C2CCCCC2)c2ccccc2)cc1 ZINC000001843031 563296418 /nfs/dbraw/zinc/29/64/18/563296418.db2.gz JKLAJIMTXFALCO-NRFANRHFSA-N 1 0 309.453 4.153 40 0 DIABRO CCCCC[NH2+]Cc1cc(Br)ccc1OCC ZINC000007261260 563337462 /nfs/dbraw/zinc/33/74/62/563337462.db2.gz ZAJYMWWOHWULIT-UHFFFAOYSA-N 1 0 300.240 4.128 40 0 DIABRO CC[C@@H](C)[NH2+]Cc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000007540101 563339337 /nfs/dbraw/zinc/33/93/37/563339337.db2.gz XBOACPYBXFRDJF-MRXNPFEDSA-N 1 0 313.441 4.205 40 0 DIABRO CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000008325974 563346093 /nfs/dbraw/zinc/34/60/93/563346093.db2.gz ZQTDSFRKPZBAQS-CQSZACIVSA-N 1 0 317.404 4.301 40 0 DIABRO CC[C@@H](C)[NH2+]Cc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000008325965 563346192 /nfs/dbraw/zinc/34/61/92/563346192.db2.gz MKZOZFRNCFMONH-MRXNPFEDSA-N 1 0 313.441 4.471 40 0 DIABRO CC[C@H](C)[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000008326709 563346200 /nfs/dbraw/zinc/34/62/00/563346200.db2.gz AVDWPDNVDOHXOE-INIZCTEOSA-N 1 0 313.441 4.471 40 0 DIABRO Cc1c2cc(C)ccc2[nH]c1C[N@@H+](C)[C@@H](C)Cc1ccccn1 ZINC000012148194 563362922 /nfs/dbraw/zinc/36/29/22/563362922.db2.gz VPDURSJMXGWGLG-HNNXBMFYSA-N 1 0 307.441 4.243 40 0 DIABRO CC(C)OCCC[N@H+](Cc1ccncc1)Cc1cccc(F)c1 ZINC000012147862 563363098 /nfs/dbraw/zinc/36/30/98/563363098.db2.gz ZVVJHXYVCQRZQT-UHFFFAOYSA-N 1 0 316.420 4.038 40 0 DIABRO C=Cn1ncc(C[N@@H+]2C[C@@H](c3ccccc3)C3(CCCC3)C2)c1C ZINC000012337398 563366003 /nfs/dbraw/zinc/36/60/03/563366003.db2.gz FXUUDTZVVWDQCW-FQEVSTJZSA-N 1 0 321.468 4.452 40 0 DIABRO COc1ccc(C2([NH2+]Cc3cccc4ncccc34)CC2)cc1 ZINC000012361886 563367190 /nfs/dbraw/zinc/36/71/90/563367190.db2.gz DSWXGHONYJOBMW-UHFFFAOYSA-N 1 0 304.393 4.022 40 0 DIABRO O[C@H](C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccccc1 ZINC000032131003 563442143 /nfs/dbraw/zinc/44/21/43/563442143.db2.gz ZXPLMKPRHWPRMQ-JOCHJYFZSA-N 1 0 317.432 4.422 40 0 DIABRO CCCC[N@@H+]1CCC[C@@]2(CCC(=O)N2CC2CCCCC2)CC1 ZINC000585100242 563516727 /nfs/dbraw/zinc/51/67/27/563516727.db2.gz ISOAZBDCRREOMM-HXUWFJFHSA-N 1 0 320.521 4.214 40 0 DIABRO O=C1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC000095951714 563531345 /nfs/dbraw/zinc/53/13/45/563531345.db2.gz KRJQERWTNABLPQ-KCZVDYSFSA-N 1 0 319.448 4.414 40 0 biogenic DIABRO c1nc(Nc2cccc([C@@H]3CCC[NH2+]3)n2)sc1-c1ccccc1 ZINC000585262932 563537106 /nfs/dbraw/zinc/53/71/06/563537106.db2.gz FFGPJPLEZWCRMH-AWEZNQCLSA-N 1 0 322.437 4.373 40 0 DIABRO Fc1ccc(Oc2ccccc2)c(OCC[NH+]2CCCC2)c1 ZINC000585265552 563537110 /nfs/dbraw/zinc/53/71/10/563537110.db2.gz SPPAMEDFIDTKCV-UHFFFAOYSA-N 1 0 301.361 4.093 40 0 DIABRO COC1(COc2ccc(C)cc2C)CC[NH+](C2CCCC2)CC1 ZINC000585281904 563541118 /nfs/dbraw/zinc/54/11/18/563541118.db2.gz SWDKCVLSCPSGPM-UHFFFAOYSA-N 1 0 317.473 4.106 40 0 DIABRO CC[n+]1cc(Br)cc(-c2nc3ccccc3s2)c1 ZINC000226774258 563605179 /nfs/dbraw/zinc/60/51/79/563605179.db2.gz ZEPAXHHKWXUXOW-UHFFFAOYSA-N 1 0 320.235 4.033 40 0 DIABRO Cc1cccn2c1nc(-c1ccc(O)cc1)c2NC1CCCC1 ZINC000000417903 563609053 /nfs/dbraw/zinc/60/90/53/563609053.db2.gz ROSCLOPIZNZZOB-UHFFFAOYSA-N 1 0 307.397 4.370 40 0 DIABRO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000010359982 563648386 /nfs/dbraw/zinc/64/83/86/563648386.db2.gz OYCVUSKRAYBAMV-UHFFFAOYSA-N 1 0 308.425 4.152 40 0 DIABRO Cc1cccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000010370592 563648491 /nfs/dbraw/zinc/64/84/91/563648491.db2.gz ZCNIJSRTWYWCJL-UHFFFAOYSA-N 1 0 308.425 4.152 40 0 DIABRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118918556 563676114 /nfs/dbraw/zinc/67/61/14/563676114.db2.gz ZSTQCIVAAMTXKR-OIFNNXFWSA-N 1 0 319.533 4.320 40 0 DIABRO CC[C@@H](C(=O)c1ccc(Cl)cc1)N1Cc2ccccc2C1=[NH2+] ZINC000004247089 563682444 /nfs/dbraw/zinc/68/24/44/563682444.db2.gz MXHVSVSFQWGVRX-INIZCTEOSA-N 1 0 312.800 4.142 40 0 DIABRO Clc1cccc(C[N@@H+]2CC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000049169033 563701053 /nfs/dbraw/zinc/70/10/53/563701053.db2.gz OVRBODIQRFMCNG-AWEZNQCLSA-N 1 0 311.816 4.206 40 0 biogenic,in-vitro DIABRO NC1=[NH+]N(c2ccc(Cl)cc2Cl)[C@@H](c2ccc(F)cc2)C1 ZINC000222548328 563726020 /nfs/dbraw/zinc/72/60/20/563726020.db2.gz KEXDTMJKRURDGT-CQSZACIVSA-N 1 0 324.186 4.356 40 0 DIABRO Cc1cnc(-c2ccc([C@@H]3CCC[N@@H+](C(C)C)C3)nc2)s1 ZINC000257208438 563789640 /nfs/dbraw/zinc/78/96/40/563789640.db2.gz BMDVBOVEWUCOBU-OAHLLOKOSA-N 1 0 301.459 4.101 40 0 DIABRO CC(C)C[N@@H+]1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257216062 563790979 /nfs/dbraw/zinc/79/09/79/563790979.db2.gz CSYBCMGZNZLOST-MRXNPFEDSA-N 1 0 316.420 4.240 40 0 DIABRO Cc1ccccc1-c1noc([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000257230555 563791391 /nfs/dbraw/zinc/79/13/91/563791391.db2.gz GCVRIYAOYMYQMO-QGZVFWFLSA-N 1 0 319.408 4.035 40 0 DIABRO Cc1nc(N2Cc3ccccc3C[C@H]2C)cc(NC2CCCC2)[nH+]1 ZINC000329063837 563833409 /nfs/dbraw/zinc/83/34/09/563833409.db2.gz XFPGWXVXHKCUHP-CQSZACIVSA-N 1 0 322.456 4.091 40 0 DIABRO Cc1c(Cl)cccc1NC(=O)C[NH+](CC(C)C)CC(C)C ZINC000001672754 563895589 /nfs/dbraw/zinc/89/55/89/563895589.db2.gz OJKDAUXQDCFKPK-UHFFFAOYSA-N 1 0 310.869 4.201 40 0 DIABRO CC(C)C[C@H]([NH3+])COc1cccc(F)c1Oc1ccccc1 ZINC000257251867 563928096 /nfs/dbraw/zinc/92/80/96/563928096.db2.gz JSPDXFPIKISRGX-AWEZNQCLSA-N 1 0 303.377 4.370 40 0 DIABRO CCC[C@H](C)OC(=O)C[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000001569408 568412178 /nfs/dbraw/zinc/41/21/78/568412178.db2.gz RRODMYNEUWOESW-FUHWJXTLSA-N 1 0 303.446 4.336 40 0 DIABRO CC[C@@H](CO)[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000007524698 1056064246 /nfs/dbraw/zinc/06/42/46/1056064246.db2.gz SCKAFJMISVPZKW-ZDUSSCGKSA-N 1 0 314.212 4.114 40 0 DIABRO CCC[N@@H+]1CC(CSC)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC001560408685 1060192929 /nfs/dbraw/zinc/19/29/29/1060192929.db2.gz RAQPLVYJXKOEPO-SJLPKXTDSA-N 1 0 313.490 4.229 40 0 DIABRO