smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CCCCN1[C@H](C(=O)N[C@H](c1nccn1C)c1ccc(F)cc1)c1ccccc1 ZINC000036748646 557852191 /nfs/dbraw/zinc/85/21/91/557852191.db2.gz WOSNLWWKJPNUKB-LEOXJPRUSA-N 0 1 420.532 4.381 40 0 HIABMN Cc1nc([C@@H]2CCN(Cc3cccnc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753152 558272229 /nfs/dbraw/zinc/27/22/29/558272229.db2.gz SYHOZNMPBNNDEE-QGZVFWFLSA-N 0 1 407.905 4.075 40 0 HIABMN COc1ccc(CN(Cc2ccc3ncccc3c2)C[C@H]2CCCO2)c(OC)c1OC ZINC000012118231 558329609 /nfs/dbraw/zinc/32/96/09/558329609.db2.gz NWJBCWGXDAOGMP-OAQYLSRUSA-N 0 1 422.525 4.442 40 0 HIABMN Cc1cnccc1CN1CCC[C@@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C[C@@H]21 ZINC000012144164 558335856 /nfs/dbraw/zinc/33/58/56/558335856.db2.gz OWBNLLYCWDXTJB-QUCCMNQESA-N 0 1 403.448 4.145 40 0 HIABMN O=C(N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccn1 ZINC000012157759 558340696 /nfs/dbraw/zinc/34/06/96/558340696.db2.gz URKBOLXWLCKLDB-YLJYHZDGSA-N 0 1 410.518 4.061 40 0 HIABMN CCOC(=O)[C@]1(Cc2cc(-c3ccccc3F)no2)CCCN(Cc2ccccn2)C1 ZINC000012222146 558356165 /nfs/dbraw/zinc/35/61/65/558356165.db2.gz KPLVDPJQIYQJBD-DEOSSOPVSA-N 0 1 423.488 4.264 40 0 HIABMN COc1ccccc1[C@H](CNc1c(C)c(C)nc2cc(-c3cc(C)on3)nn21)N(C)C ZINC000012251568 558362222 /nfs/dbraw/zinc/36/22/22/558362222.db2.gz ZGDPJRWJKHKXAH-FQEVSTJZSA-N 0 1 420.517 4.033 40 0 HIABMN CC(=O)NC1(c2ccccc2F)CCN(Cc2cnn(Cc3ccccc3)c2C)CC1 ZINC000012344223 558386339 /nfs/dbraw/zinc/38/63/39/558386339.db2.gz UQWDLSRYVFIDCD-UHFFFAOYSA-N 0 1 420.532 4.006 40 0 HIABMN CCCOc1c(CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)cccc1OC ZINC000012344819 558386590 /nfs/dbraw/zinc/38/65/90/558386590.db2.gz XHIKKWONOFHYJM-UHFFFAOYSA-N 0 1 414.521 4.251 40 0 HIABMN Cc1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c1 ZINC000013674944 558564009 /nfs/dbraw/zinc/56/40/09/558564009.db2.gz ALGJYNRIIBAJGD-UHFFFAOYSA-N 0 1 414.914 4.379 40 0 HIABMN CC(C)(C)NC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2F)CC1 ZINC000039752501 558687005 /nfs/dbraw/zinc/68/70/05/558687005.db2.gz WGCQBDUOBUBWGS-UHFFFAOYSA-N 0 1 411.521 4.205 40 0 HIABMN CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2F)CC1 ZINC000039755714 558687614 /nfs/dbraw/zinc/68/76/14/558687614.db2.gz NNOJHIQQGLLXOI-KRWDZBQOSA-N 0 1 411.521 4.205 40 0 HIABMN CCCOc1cc(S(=O)(=O)Nc2ccccc2OCC)ccc1Br ZINC000028252020 558693723 /nfs/dbraw/zinc/69/37/23/558693723.db2.gz LTWQVCORJBONJC-UHFFFAOYSA-N 0 1 414.321 4.437 40 0 HIABMN CC(=O)NC1(c2ccccc2F)CCN(Cc2cc3ccccc3nc2N(C)C)CC1 ZINC000019021081 558837941 /nfs/dbraw/zinc/83/79/41/558837941.db2.gz JLWLNQLNZKPKSZ-UHFFFAOYSA-N 0 1 420.532 4.067 40 0 HIABMN Cc1cc2c(cc1Br)C(=O)[C@](CN1CCCCC1)(N1CCCCC1)CO2 ZINC000019203051 558847599 /nfs/dbraw/zinc/84/75/99/558847599.db2.gz SGMPGRJBBAJIDM-OAQYLSRUSA-N 0 1 421.379 4.043 40 0 HIABMN Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H]1CCCN1Cc1ccncc1 ZINC000019219865 558851429 /nfs/dbraw/zinc/85/14/29/558851429.db2.gz HQTGLNRTQOSLBI-KRWDZBQOSA-N 0 1 401.432 4.388 40 0 HIABMN Cc1cccc(CN2CCC([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)CC2)n1 ZINC000019236169 558855280 /nfs/dbraw/zinc/85/52/80/558855280.db2.gz XBLUXQLGPGVFNQ-AREMUKBSSA-N 0 1 414.553 4.097 40 0 HIABMN O=C(NCc1ccncc1)c1cc([C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)no1 ZINC000019334038 558869153 /nfs/dbraw/zinc/86/91/53/558869153.db2.gz HKAKAVPTLBPWFO-GOSISDBHSA-N 0 1 410.905 4.033 40 0 HIABMN O=C(Nc1ccc2nc[nH]c2c1)c1cc([C@H]2CCCN(C(=O)C3CCCCC3)C2)no1 ZINC000019346216 558873330 /nfs/dbraw/zinc/87/33/30/558873330.db2.gz PZGZRTUUGPIDKQ-INIZCTEOSA-N 0 1 421.501 4.090 40 0 HIABMN O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccccn3)CC[C@H]21 ZINC000019347728 558873966 /nfs/dbraw/zinc/87/39/66/558873966.db2.gz FOEGSRBYSZIPGM-MQSCRBSSSA-N 0 1 421.541 4.413 40 0 HIABMN CCCN1CCN(Cc2cccnc2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503061 558900362 /nfs/dbraw/zinc/90/03/62/558900362.db2.gz BPLPOQFEHLEACS-VWLOTQADSA-N 0 1 414.553 4.057 40 0 HIABMN CCCN1CCN(Cc2cccnc2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503350 558900571 /nfs/dbraw/zinc/90/05/71/558900571.db2.gz BZBSJFQUYIISBF-XMMPIXPASA-N 0 1 414.553 4.057 40 0 HIABMN COc1ccc(CN(Cc2ccncc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1OC ZINC000019560732 558921733 /nfs/dbraw/zinc/92/17/33/558921733.db2.gz IFMNAPNRTGARKN-XZOQPEGZSA-N 0 1 422.500 4.423 40 0 HIABMN CCN1CCN(c2cc(NC(=O)c3ccc(C(C)C)cc3)c(Cl)cc2N)CC1 ZINC000072229160 558931734 /nfs/dbraw/zinc/93/17/34/558931734.db2.gz FTKOLVPYHLGJPD-UHFFFAOYSA-N 0 1 400.954 4.440 40 0 HIABMN Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CCN(Cc4cnn(C)c4)CC3)c12 ZINC000072336040 558937144 /nfs/dbraw/zinc/93/71/44/558937144.db2.gz NFLSUDZFMRKGDC-UHFFFAOYSA-N 0 1 422.577 4.330 40 0 HIABMN COC(=O)c1ccc(CN(Cc2ccncc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019592536 558943503 /nfs/dbraw/zinc/94/35/03/558943503.db2.gz ZGYQTDBLJNDQHI-BJKOFHAPSA-N 0 1 420.484 4.192 40 0 HIABMN O=C([O-])c1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](CCOCc3ccccc3)C2)cc1 ZINC000072360801 558955536 /nfs/dbraw/zinc/95/55/36/558955536.db2.gz AJLQQRRXEITPPZ-NRFANRHFSA-N 0 1 405.498 4.171 40 0 HIABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)c2[nH]c3ccc(OC)cc3c2C)cc1 ZINC000019665828 558955867 /nfs/dbraw/zinc/95/58/67/558955867.db2.gz NKZYDFMHLNESJR-QHCPKHFHSA-N 0 1 416.481 4.005 40 0 HIABMN Cc1ncsc1C(=O)N1CC[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072371529 558958366 /nfs/dbraw/zinc/95/83/66/558958366.db2.gz HRXGFNQMASWYEV-AWEZNQCLSA-N 0 1 416.934 4.079 40 0 HIABMN Cc1c(CN2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)cnn1C ZINC000019694322 558962760 /nfs/dbraw/zinc/96/27/60/558962760.db2.gz MIUOITCAQYNRTG-OAQYLSRUSA-N 0 1 408.525 4.118 40 0 HIABMN O=c1cc([C@@H]2CCC[N@H+](Cc3ccccc3N3CCCC3)C2)nc(-c2ccccn2)[n-]1 ZINC000072393273 558972656 /nfs/dbraw/zinc/97/26/56/558972656.db2.gz XCPGWFDZGAVLEQ-LJQANCHMSA-N 0 1 415.541 4.224 40 0 HIABMN O=c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3N3CCCC3)C2)nc(-c2ccccn2)[n-]1 ZINC000072393273 558972659 /nfs/dbraw/zinc/97/26/59/558972659.db2.gz XCPGWFDZGAVLEQ-LJQANCHMSA-N 0 1 415.541 4.224 40 0 HIABMN O=c1c2ccccc2cnn1CCc1n[nH]c(=S)n1-c1cc(Cl)cc(Cl)c1 ZINC000015022361 558986987 /nfs/dbraw/zinc/98/69/87/558986987.db2.gz SHGCVGIGKWITNC-UHFFFAOYSA-N 0 1 418.309 4.189 40 0 HIABMN COc1cccc(CN2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4ccc(Cl)cc4)CC[C@@H]32)c1 ZINC000585108012 559029673 /nfs/dbraw/zinc/02/96/73/559029673.db2.gz VQXUBBLJQLLBSV-IITNATTFSA-N 0 1 410.945 4.185 40 0 HIABMN Cc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)NCC2CC2)c2ccccc2O3)o1 ZINC000096053095 559092893 /nfs/dbraw/zinc/09/28/93/559092893.db2.gz BLROXIDRUOBWGQ-FQEVSTJZSA-N 0 1 408.542 4.405 40 0 HIABMN CC(C)CNC(=O)C[C@H]1CC2(CCN(Cc3ccccn3)CC2)Oc2ccccc21 ZINC000096053523 559093748 /nfs/dbraw/zinc/09/37/48/559093748.db2.gz USDIHPYOSOVIML-FQEVSTJZSA-N 0 1 407.558 4.145 40 0 HIABMN CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](N(Cc2ccccc2)Cc2ccc(Cl)cc2)C1 ZINC000585260808 559108622 /nfs/dbraw/zinc/10/86/22/559108622.db2.gz URJGRFAQFPBWBE-NHCUHLMSSA-N 0 1 416.949 4.322 40 0 HIABMN c1c(CCOc2ccccc2)[nH]nc1[C@H]1CN(Cc2ccnc3ccccc23)CCO1 ZINC000585260964 559110036 /nfs/dbraw/zinc/11/00/36/559110036.db2.gz PVQVHDLEEQGYHG-RUZDIDTESA-N 0 1 414.509 4.153 40 0 HIABMN CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2cc3nc(C)c(C)c(=O)n3[n-]2)cc1OC ZINC000100146635 559130601 /nfs/dbraw/zinc/13/06/01/559130601.db2.gz HPIVVMABRSDITD-LJQANCHMSA-N 0 1 410.518 4.186 40 0 HIABMN CCOc1ccc(C[N@H+]2CCCC[C@H]2c2cc3nc(C)c(C)c(=O)n3[n-]2)cc1OC ZINC000100146637 559130607 /nfs/dbraw/zinc/13/06/07/559130607.db2.gz HPIVVMABRSDITD-IBGZPJMESA-N 0 1 410.518 4.186 40 0 HIABMN CCCN1C(=O)c2n[nH]c(-c3ccc(OC)cc3)c2[C@H]1c1cc(OC)ccc1OC ZINC000004909821 560618129 /nfs/dbraw/zinc/61/81/29/560618129.db2.gz QURVDVHXJIXBQT-JOCHJYFZSA-N 0 1 407.470 4.058 40 0 HIABMN CCCN1C(=O)c2n[nH]c(-c3ccc(OC)cc3)c2[C@H]1c1ccc(OC)c(OC)c1 ZINC000004909796 560618131 /nfs/dbraw/zinc/61/81/31/560618131.db2.gz ZOBYTXTWOBPUEV-JOCHJYFZSA-N 0 1 407.470 4.058 40 0 HIABMN CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000409050175 560669951 /nfs/dbraw/zinc/66/99/51/560669951.db2.gz ZWJXVTJRPDFUFG-OVCLIPMQSA-N 0 1 407.253 4.151 40 0 HIABMN CCc1ccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102731732 560731808 /nfs/dbraw/zinc/73/18/08/560731808.db2.gz DMWYOYUUWMQWHL-XPWALMASSA-N 0 1 416.452 4.439 40 0 HIABMN CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102731732 560731810 /nfs/dbraw/zinc/73/18/10/560731810.db2.gz DMWYOYUUWMQWHL-XPWALMASSA-N 0 1 416.452 4.439 40 0 HIABMN COc1ccc(S(=O)(=O)Nc2ccccc2OC(C)C)cc1Br ZINC000113941851 560806739 /nfs/dbraw/zinc/80/67/39/560806739.db2.gz IHJIXQOENOXDTN-UHFFFAOYSA-N 0 1 400.294 4.046 40 0 HIABMN Cc1cc2c(cc1S(=O)(=O)Nc1ccccc1Oc1ccccc1)oc(=O)n2C ZINC000223339190 568545747 /nfs/dbraw/zinc/54/57/47/568545747.db2.gz LEYPFZHPCPJRCJ-UHFFFAOYSA-N 0 1 410.451 4.033 40 0 HIABMN COc1ccc(OC)c([C@@H](C)NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000223348999 568546120 /nfs/dbraw/zinc/54/61/20/568546120.db2.gz OPTKKOVORBADND-MRXNPFEDSA-N 0 1 416.949 4.447 40 0 HIABMN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(C)cc1 ZINC000223376067 568546885 /nfs/dbraw/zinc/54/68/85/568546885.db2.gz CFFGXFWERBFAAI-UHFFFAOYSA-N 0 1 422.506 4.007 40 0 HIABMN COc1ccc(C(=O)OC(C)C)cc1NS(=O)(=O)c1ccc(OC)c(C(C)C)c1 ZINC000223655006 568555169 /nfs/dbraw/zinc/55/51/69/568555169.db2.gz MPJZANGXCNXFSU-UHFFFAOYSA-N 0 1 421.515 4.193 40 0 HIABMN Cc1ccc(OCCNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1Cl ZINC000224168372 568572240 /nfs/dbraw/zinc/57/22/40/568572240.db2.gz RDKOHJZIYGPNJI-UHFFFAOYSA-N 0 1 404.913 4.195 40 0 HIABMN CCc1ccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000224536998 568584175 /nfs/dbraw/zinc/58/41/75/568584175.db2.gz MGUNGNPMONCJLT-UHFFFAOYSA-N 0 1 400.950 4.310 40 0 HIABMN Cc1ccc(N2CCC([N@@H+](CC(=O)[O-])Cc3ccc4c(c3)CC(C)(C)O4)CC2)cc1 ZINC000257206604 568778099 /nfs/dbraw/zinc/77/80/99/568778099.db2.gz BEDRPROGRSSRNP-UHFFFAOYSA-N 0 1 408.542 4.264 40 0 HIABMN COc1ccc(Cc2cnc([C@@H]3CCC[N@@H+](Cc4ccc(C(=O)[O-])cc4)C3)o2)cc1 ZINC000257216392 568780818 /nfs/dbraw/zinc/78/08/18/568780818.db2.gz CUJVHHBTMBQEFE-HXUWFJFHSA-N 0 1 406.482 4.352 40 0 HIABMN O=C(CN1CCCCC1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257228927 568784577 /nfs/dbraw/zinc/78/45/77/568784577.db2.gz FVXILRXJGYVBIX-SFHVURJKSA-N 0 1 401.938 4.111 40 0 HIABMN CC1(C)Oc2cc(O)ccc2[C@@H]2O[C@@H]3CC[N@@H+](Cc4cccc(C(=O)[O-])c4)C[C@H]3C[C@H]21 ZINC000257232246 568785396 /nfs/dbraw/zinc/78/53/96/568785396.db2.gz GJYUOSWLZYVSMH-TUUKDFBESA-N 0 1 423.509 4.230 40 0 HIABMN CCOc1cccc2c1OC(C)(C)[C@@H]1C[C@@H]3[C@@H](CCC[N@H+]3CCCC(=O)[O-])O[C@@H]21 ZINC000257271518 568795990 /nfs/dbraw/zinc/79/59/90/568795990.db2.gz MYQOYTPMWOTYPW-IKVWTGGYSA-N 0 1 403.519 4.032 40 0 HIABMN COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)CN3CCCCCC3)o2)c1 ZINC000257294988 568803031 /nfs/dbraw/zinc/80/30/31/568803031.db2.gz QWNJBPQFOAIVMU-QFIPXVFZSA-N 0 1 411.546 4.204 40 0 HIABMN CC(=O)N1CCCCC[C@@H]2N(CC(=O)Nc3ccccn3)[C@H](c3ccccc3)C[C@@]21C ZINC000257328554 568812626 /nfs/dbraw/zinc/81/26/26/568812626.db2.gz XGEBFJZNNSTXJD-HWBMXIPRSA-N 0 1 420.557 4.017 40 0 HIABMN Cc1nc2c(n1C(C)C)CN(Cc1cccs1)CC21CCN(c2ncccn2)CC1 ZINC000306132821 568895017 /nfs/dbraw/zinc/89/50/17/568895017.db2.gz LTCRHHJJONZTRL-UHFFFAOYSA-N 0 1 422.602 4.178 40 0 HIABMN CC(C)CN1c2ccccc2C2(CCN(Cc3cccc(F)c3)CC2)S1(=O)=O ZINC000306143696 568905096 /nfs/dbraw/zinc/90/50/96/568905096.db2.gz YJOPVPSSKACCST-UHFFFAOYSA-N 0 1 402.535 4.123 40 0 HIABMN CC[C@H](C)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccncc2)n1 ZINC000329067969 568975512 /nfs/dbraw/zinc/97/55/12/568975512.db2.gz YLCBBAFXBMFGOE-NSHDSACASA-N 0 1 404.301 4.349 40 0 HIABMN CC[C@@H](OC[C@@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1)c1ccccc1 ZINC000026781619 569025622 /nfs/dbraw/zinc/02/56/22/569025622.db2.gz XDGHMINXQDHNKB-JTHBVZDNSA-N 0 1 402.966 4.299 40 0 HIABMN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000033857397 569027763 /nfs/dbraw/zinc/02/77/63/569027763.db2.gz XPZYNXNJVXSWRE-OUFMZXHOSA-N 0 1 409.014 4.300 40 0 HIABMN Cc1ccc(OCc2nnc(NC(=O)c3ncoc3-c3cccc(F)c3)s2)cc1 ZINC000005002014 569051794 /nfs/dbraw/zinc/05/17/94/569051794.db2.gz PJCBOAXNPGDYPW-UHFFFAOYSA-N 0 1 410.430 4.472 40 0 HIABMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000007495283 569337628 /nfs/dbraw/zinc/33/76/28/569337628.db2.gz UIZSOTAELLWKGL-FYJGNVAPSA-N 0 1 419.525 4.424 40 0 HIABMN CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c1C ZINC000007495243 569337668 /nfs/dbraw/zinc/33/76/68/569337668.db2.gz ANHYEHVODHNYPT-KGENOOAVSA-N 0 1 419.525 4.369 40 0 HIABMN COc1ccc(OC[C@H](C)NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000009062660 569342195 /nfs/dbraw/zinc/34/21/95/569342195.db2.gz CCASWVHDAUJTDD-KRWDZBQOSA-N 0 1 416.949 4.144 40 0 HIABMN O=C(NCCc1ccccc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000033603606 569350735 /nfs/dbraw/zinc/35/07/35/569350735.db2.gz PYXQGFFYPLMBOJ-UHFFFAOYSA-N 0 1 414.914 4.113 40 0 HIABMN Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNCc4cccnc4)cc23)cc1 ZINC000019212070 569414479 /nfs/dbraw/zinc/41/44/79/569414479.db2.gz RFXLMVOXIWWEQF-UHFFFAOYSA-N 0 1 421.504 4.374 40 0 HIABMN CN(C)CCNc1nc(-c2ccccc2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000329028540 571304629 /nfs/dbraw/zinc/30/46/29/571304629.db2.gz PVLXFYAHBKAHGZ-UHFFFAOYSA-N 0 1 417.344 4.863 40 0 HIABMN COc1cc2c(cc1OC)CN(c1cc(C(C)C)nc(NCc3ccccc3)n1)CC2 ZINC000329018956 571308753 /nfs/dbraw/zinc/30/87/53/571308753.db2.gz NUFRDEDQKASQOA-UHFFFAOYSA-N 0 1 418.541 4.792 40 0 HIABMN COc1cc2c(cc1OC)CN(c1cc(C(C)C)nc(NC3CCCCC3)n1)CC2 ZINC000329031692 571308767 /nfs/dbraw/zinc/30/87/67/571308767.db2.gz QJKOMPIKCOHECU-UHFFFAOYSA-N 0 1 410.562 4.925 40 0 HIABMN COc1cc(CCN2CCN(c3ccc(Cl)cc3)[C@H](C)C2)cc(OC)c1OC ZINC000005336086 132305045 /nfs/dbraw/zinc/30/50/45/132305045.db2.gz NHFOXPNGAVHDLK-MRXNPFEDSA-N 0 1 404.938 4.119 40 0 HIABMN C[C@H]1C[C@H](C)[C@H]2N(C1)c1ccccc1C[C@@]21C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000008695471 132332241 /nfs/dbraw/zinc/33/22/41/132332241.db2.gz ICFQVZKELAHHIM-HVCNUNHTSA-N 0 1 403.482 4.203 40 0 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4.318 40 0 HIABMN O=C(NCc1ccccn1)c1cc(C2CCN(Cc3cccc(Cl)c3)CC2)no1 ZINC000019401938 558883749 /nfs/dbraw/zinc/88/37/49/558883749.db2.gz YPRMGOBQFJLGMZ-UHFFFAOYSA-N 0 1 410.905 4.033 40 0 HIABMN Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000019560982 558921901 /nfs/dbraw/zinc/92/19/01/558921901.db2.gz XSRHKVJSMSRPDN-UHFFFAOYSA-N 0 1 410.518 4.047 40 0 HIABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)c2oc3cc(OC)ccc3c2C)cc1 ZINC000019565744 558925746 /nfs/dbraw/zinc/92/57/46/558925746.db2.gz YFIZHNJURMGBOF-QFIPXVFZSA-N 0 1 417.465 4.269 40 0 HIABMN Cc1cc2nc(CCC(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)[nH]c2c(C)c1 ZINC000019568384 558927319 /nfs/dbraw/zinc/92/73/19/558927319.db2.gz WYJVKMIQYNTXDG-KRWDZBQOSA-N 0 1 401.514 4.395 40 0 HIABMN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000019568763 558927866 /nfs/dbraw/zinc/92/78/66/558927866.db2.gz MONDYZPRKGIDOW-LBPRGKRZSA-N 0 1 421.423 4.416 40 0 HIABMN COc1ccc(CN2CCC[C@H](c3cc(N(C)C)nc(-c4ccncc4)n3)C2)c(F)c1 ZINC000019584578 558938640 /nfs/dbraw/zinc/93/86/40/558938640.db2.gz AHIWRZPWKNYFIJ-IBGZPJMESA-N 0 1 421.520 4.132 40 0 HIABMN O=C(CCc1ccccc1)N1CC[C@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 ZINC000072371263 558957982 /nfs/dbraw/zinc/95/79/82/558957982.db2.gz RRIUUEDOJLQYIV-IBGZPJMESA-N 0 1 407.489 4.119 40 0 HIABMN CCOC(=O)[C@]1(Cc2cc(-c3ccccc3C)no2)CCCN(Cc2ccncc2)C1 ZINC000072394044 558973271 /nfs/dbraw/zinc/97/32/71/558973271.db2.gz VSOIJYRAHTZYTN-VWLOTQADSA-N 0 1 419.525 4.433 40 0 HIABMN COc1ccc(OC)c(-c2n[nH]c(C(=O)Nc3ccc4c(c3)N(C)CCC4)c2C)c1 ZINC000019718120 558981201 /nfs/dbraw/zinc/98/12/01/558981201.db2.gz NRXQFNYLVNXAOD-UHFFFAOYSA-N 0 1 406.486 4.037 40 0 HIABMN Cc1nc(CN2C(=O)CC[C@@]23CCCN(Cc2ccc(F)cc2F)CC3)cs1 ZINC000585100585 559024209 /nfs/dbraw/zinc/02/42/09/559024209.db2.gz ORJUDPVWHYZPIK-OAQYLSRUSA-N 0 1 405.514 4.277 40 0 HIABMN COc1ccccc1CN1CCC[C@@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000585165366 559066403 /nfs/dbraw/zinc/06/64/03/559066403.db2.gz IFXMMDTXWUIWGZ-OAQYLSRUSA-N 0 1 418.541 4.070 40 0 HIABMN COc1ccc2[nH]c(C[C@H]3C[N@H+](C4CCC(F)(F)CC4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514288598 560034701 /nfs/dbraw/zinc/03/47/01/560034701.db2.gz JAZITHGQXNYWGK-GJZGRUSLSA-N 0 1 421.488 4.105 40 0 biogenic,in-vitro HIABMN COc1ccc2nc(C[C@H]3C[N@@H+](C4CCC(F)(F)CC4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514288598 560034702 /nfs/dbraw/zinc/03/47/02/560034702.db2.gz JAZITHGQXNYWGK-GJZGRUSLSA-N 0 1 421.488 4.105 40 0 biogenic,in-vitro HIABMN COc1ccc2nc(C[C@H]3C[N@H+](C4CCC(F)(F)CC4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514288598 560034704 /nfs/dbraw/zinc/03/47/04/560034704.db2.gz JAZITHGQXNYWGK-GJZGRUSLSA-N 0 1 421.488 4.105 40 0 biogenic,in-vitro HIABMN CCCN1C(=O)c2n[nH]c(-c3ccc(OC)cc3)c2[C@@H]1c1ccc(OC)cc1OC ZINC000004909815 560618115 /nfs/dbraw/zinc/61/81/15/560618115.db2.gz AJYATOODZARMDA-QFIPXVFZSA-N 0 1 407.470 4.058 40 0 HIABMN CCCN1C(=O)c2n[nH]c(-c3cccc(OC)c3)c2[C@H]1c1ccc(OC)cc1OC ZINC000004909922 560618133 /nfs/dbraw/zinc/61/81/33/560618133.db2.gz KHQIYFHLHBHZKE-JOCHJYFZSA-N 0 1 407.470 4.058 40 0 HIABMN C=C1N=C(SCC(=O)Nc2ccc(C)cc2)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000408991258 560662256 /nfs/dbraw/zinc/66/22/56/560662256.db2.gz PYAXGPYCVDDLEV-NRFANRHFSA-N 0 1 423.538 4.204 40 0 HIABMN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102861300 560852794 /nfs/dbraw/zinc/85/27/94/560852794.db2.gz VDZXUDRJEAQYRU-XPWALMASSA-N 0 1 414.461 4.055 40 0 HIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 ZINC000222797495 568526707 /nfs/dbraw/zinc/52/67/07/568526707.db2.gz RZKNWZRNRQUTPD-UHFFFAOYSA-N 0 1 408.545 4.121 40 0 HIABMN CC(C)CSc1nnc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)s1 ZINC000224287088 568576594 /nfs/dbraw/zinc/57/65/94/568576594.db2.gz XQCJJRGCGDRWCS-UHFFFAOYSA-N 0 1 408.568 4.276 40 0 HIABMN O=C(NCCOc1ccccc1Cl)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000224536082 568583987 /nfs/dbraw/zinc/58/39/87/568583987.db2.gz RXTQJVOHYWMTOM-UHFFFAOYSA-N 0 1 407.341 4.401 40 0 HIABMN Cc1ccc(OCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c(C)c1 ZINC000224535061 568584017 /nfs/dbraw/zinc/58/40/17/568584017.db2.gz GGCYBJFUAWWGJK-UHFFFAOYSA-N 0 1 400.950 4.364 40 0 HIABMN Cc1ccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1C ZINC000224537212 568584116 /nfs/dbraw/zinc/58/41/16/568584116.db2.gz VTIATAQXFKZAHA-UHFFFAOYSA-N 0 1 400.950 4.364 40 0 HIABMN CCc1ncc(CN2CC[C@@H](c3c4ccccc4sc3C(=O)NC(C)C)C2)cn1 ZINC000257205786 568777746 /nfs/dbraw/zinc/77/77/46/568777746.db2.gz BANRMQIQVZJSRC-QGZVFWFLSA-N 0 1 408.571 4.381 40 0 HIABMN CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)c(CN(C)C)c4)OCC[C@@]31C2 ZINC000257219904 568782002 /nfs/dbraw/zinc/78/20/02/568782002.db2.gz DITCVHIWYHKRQQ-MVXHCJBISA-N 0 1 414.590 4.165 40 0 HIABMN CCc1nc(C)c(C(=O)N2CC[C@@H](c3cc(Nc4ccc(F)cn4)cc(C)n3)C2)o1 ZINC000257266629 568794627 /nfs/dbraw/zinc/79/46/27/568794627.db2.gz MDUJCJCSVWJRPP-OAHLLOKOSA-N 0 1 409.465 4.156 40 0 HIABMN CNc1cc(C)nc([C@@]2(C)CCCN(Cc3ccccc3OCc3cccnc3)C2)n1 ZINC000257291650 568802035 /nfs/dbraw/zinc/80/20/35/568802035.db2.gz QHZRSQHWFCTBLP-VWLOTQADSA-N 0 1 417.557 4.354 40 0 HIABMN COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)c4cc(C(C)C)[nH]n4)C3)o2)cc1 ZINC000257293095 568802495 /nfs/dbraw/zinc/80/24/95/568802495.db2.gz QOCBIKSOLBFOAL-KRWDZBQOSA-N 0 1 408.502 4.140 40 0 HIABMN Cc1nc([C@H]2CCN(Cc3ccccc3F)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257308674 568807166 /nfs/dbraw/zinc/80/71/66/568807166.db2.gz TXRFFXANAYVACA-FQEVSTJZSA-N 0 1 424.564 4.213 40 0 HIABMN COc1cccc(OC)c1CN1CCC(c2cccc(Nc3ncccn3)n2)CC1 ZINC000257338017 568815442 /nfs/dbraw/zinc/81/54/42/568815442.db2.gz YVLWXUAXLMRVFJ-UHFFFAOYSA-N 0 1 405.502 4.012 40 0 HIABMN Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NS(=O)(=O)c1ccc(C)cc1 ZINC000002792391 568932244 /nfs/dbraw/zinc/93/22/44/568932244.db2.gz XLYVBCARZHMKTK-UHFFFAOYSA-N 0 1 407.898 4.450 40 0 HIABMN COc1cc(Br)c(CN=Nc2ccc(C(F)(F)F)cn2)cc1OC ZINC000007008822 569336758 /nfs/dbraw/zinc/33/67/58/569336758.db2.gz LEOMNXRMIZJUAN-QPSGOUHRSA-N 0 1 404.186 4.326 40 0 HIABMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000007468865 569337653 /nfs/dbraw/zinc/33/76/53/569337653.db2.gz PHQZSSZGNHQIBI-DEDYPNTBSA-N 0 1 405.498 4.115 40 0 HIABMN COc1ccccc1[C@@H](CNC(=O)c1cc2cc(C)ccc2n1C)N1CCCCC1 ZINC000141575819 569354988 /nfs/dbraw/zinc/35/49/88/569354988.db2.gz JXKJOFJGIUTNSY-HSZRJFAPSA-N 0 1 405.542 4.452 40 0 HIABMN COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000017888320 569370758 /nfs/dbraw/zinc/37/07/58/569370758.db2.gz KKYZGWYOTCYEST-VJBWXMMDSA-N 0 1 414.461 4.055 40 0 HIABMN COC(=O)c1ccc2c(c1)CCN(c1cc(C(C)C)nc(NC3CCCCC3)n1)C2 ZINC000328964930 571306955 /nfs/dbraw/zinc/30/69/55/571306955.db2.gz BYPIHIIWHIOCRO-UHFFFAOYSA-N 0 1 408.546 4.694 40 0 HIABMN CC(C)(C)c1ccc2c(c1)C(C[C@H]1CN(C(=O)C3CCC3)CC[C@H]1CC(=O)[O-])=[NH+]CC2 ZINC000049590560 291261116 /nfs/dbraw/zinc/26/11/16/291261116.db2.gz VSJPNWWZOKZCBD-PMACEKPBSA-N 0 1 424.585 4.459 40 0 biogenic,in-vitro HIABMN CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)ccc1C ZINC000408601755 557522168 /nfs/dbraw/zinc/52/21/68/557522168.db2.gz HCYIFMHYWXNSDG-UHFFFAOYSA-N 0 1 412.536 4.307 40 0 HIABMN COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000009199528 557828835 /nfs/dbraw/zinc/82/88/35/557828835.db2.gz SSBTUKVCODWTNY-UHFFFAOYSA-N 0 1 424.526 4.287 40 0 HIABMN CC(=O)C=C(O)CSc1nc2ccccc2c2nc(-c3ccc(Cl)cc3)nn21 ZINC000009937945 557851914 /nfs/dbraw/zinc/85/19/14/557851914.db2.gz UPSQWBPLGZEQLL-UHFFFAOYSA-N 0 1 410.886 4.238 40 0 HIABMN COc1ccc(CN(Cc2c[nH]nc2-c2cccs2)C[C@@H]2CCCO2)cc1OC ZINC000012116788 558328798 /nfs/dbraw/zinc/32/87/98/558328798.db2.gz NVDAFFYXVFSCKY-SFHVURJKSA-N 0 1 413.543 4.337 40 0 HIABMN Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNCc3ccc(C(F)(F)F)cc3)cc12 ZINC000012186427 558345517 /nfs/dbraw/zinc/34/55/17/558345517.db2.gz VYYHUDGLIASWFO-UHFFFAOYSA-N 0 1 412.415 4.331 40 0 HIABMN C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000020459208 558371724 /nfs/dbraw/zinc/37/17/24/558371724.db2.gz VZGMVVOGTIHANJ-OAHLLOKOSA-N 0 1 413.524 4.002 40 0 HIABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)C3)ccc2Cl)cc1 ZINC000013670845 558562133 /nfs/dbraw/zinc/56/21/33/558562133.db2.gz TUFYLXWOEIAYCV-HNNXBMFYSA-N 0 1 406.935 4.321 40 0 HIABMN COc1ccccc1CCCNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000039760858 558685360 /nfs/dbraw/zinc/68/53/60/558685360.db2.gz CTLHWANTUMNVFI-UHFFFAOYSA-N 0 1 400.950 4.310 40 0 HIABMN COC(=O)c1cccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1C ZINC000039763070 558685785 /nfs/dbraw/zinc/68/57/85/558685785.db2.gz CHQPFWRKPYZWMK-UHFFFAOYSA-N 0 1 400.906 4.286 40 0 HIABMN COC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000039763516 558685945 /nfs/dbraw/zinc/68/59/45/558685945.db2.gz ZCPZAUHZKTYRKT-UHFFFAOYSA-N 0 1 400.906 4.286 40 0 HIABMN COc1ccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000039772602 558686319 /nfs/dbraw/zinc/68/63/19/558686319.db2.gz CAWRWZFVOULBSE-UHFFFAOYSA-N 0 1 400.950 4.310 40 0 HIABMN CCOC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2Cl)CC1 ZINC000039752476 558687056 /nfs/dbraw/zinc/68/70/56/558687056.db2.gz 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VQXUBBLJQLLBSV-MKWLTTDUSA-N 0 1 410.945 4.185 40 0 HIABMN O=S1(=O)c2ccccc2[C@@]2(CCN(Cc3ccccc3)C2)N1Cc1ccc(F)cc1 ZINC000096261955 559106221 /nfs/dbraw/zinc/10/62/21/559106221.db2.gz IGDDEWAEVXYVHD-DEOSSOPVSA-N 0 1 422.525 4.131 40 0 HIABMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000100989706 559142548 /nfs/dbraw/zinc/14/25/48/559142548.db2.gz XLJYSQWDDOJDIE-JKSUJKDBSA-N 0 1 424.715 4.194 40 0 HIABMN COc1cccc2[nH]c(C[C@H]3C[N@@H+](CCCc4ccccc4)CC[C@H]3CC(=O)[O-])nc21 ZINC000514288484 560034739 /nfs/dbraw/zinc/03/47/39/560034739.db2.gz FXQJUZAUWDXPNH-PMACEKPBSA-N 0 1 421.541 4.160 40 0 biogenic,in-vitro HIABMN C=C1N=C(SCC(=O)Nc2cccc(C)c2)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000408991036 560662267 /nfs/dbraw/zinc/66/22/67/560662267.db2.gz PLKUBKLMDIHQGY-OAQYLSRUSA-N 0 1 423.538 4.204 40 0 HIABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCCCCC3)ccc2Cl)c1 ZINC000409410065 560721225 /nfs/dbraw/zinc/72/12/25/560721225.db2.gz SVXXGBQKFNTEGS-UHFFFAOYSA-N 0 1 406.935 4.465 40 0 HIABMN Cc1[nH]c2nn(-c3nc4ccccc4s3)c(=O)c-2c(O)c1Cc1ccc(Cl)cc1 ZINC000014607078 560846793 /nfs/dbraw/zinc/84/67/93/560846793.db2.gz SXVBJBFOEKAKDG-UHFFFAOYSA-N 0 1 422.897 4.169 40 0 HIABMN Cc1ccccc1N1O[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]1c1ccco1 ZINC000004163386 560893215 /nfs/dbraw/zinc/89/32/15/560893215.db2.gz BVTUXBLUJIFZQU-HSALFYBXSA-N 0 1 408.841 4.293 40 0 HIABMN CSc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1NC(C)=O ZINC000223197244 568540810 /nfs/dbraw/zinc/54/08/10/568540810.db2.gz HTJVIYKMCKXKAU-UHFFFAOYSA-N 0 1 404.435 4.187 40 0 HIABMN CCc1cccc(CC)c1NS(=O)(=O)c1cc2oc(=O)n(CC)c2cc1Cl ZINC000223366178 568546721 /nfs/dbraw/zinc/54/67/21/568546721.db2.gz NMZNFQBOVYNDLB-UHFFFAOYSA-N 0 1 408.907 4.193 40 0 HIABMN Cc1cccc(OCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1C ZINC000223948504 568564122 /nfs/dbraw/zinc/56/41/22/568564122.db2.gz SMULFVHXXVSEEY-UHFFFAOYSA-N 0 1 400.950 4.364 40 0 HIABMN O=C(NCCOc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000224536008 568584010 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409.505 4.176 40 0 HIABMN O=C([O-])COc1ccc(C[N@@H+]2CCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)cc1 ZINC000257320416 568810417 /nfs/dbraw/zinc/81/04/17/568810417.db2.gz VWRZWFZMTCUFNZ-OAQYLSRUSA-N 0 1 410.445 4.205 40 0 HIABMN O=C([O-])COc1ccc(C[N@H+]2CCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)cc1 ZINC000257320416 568810418 /nfs/dbraw/zinc/81/04/18/568810418.db2.gz VWRZWFZMTCUFNZ-OAQYLSRUSA-N 0 1 410.445 4.205 40 0 HIABMN COc1cccc(-c2ccc3nc([C@H]4CCCN(Cc5ccco5)C4)nn3c2)c1OC ZINC000306141534 568902984 /nfs/dbraw/zinc/90/29/84/568902984.db2.gz VZIFZKSAAHMDEO-SFHVURJKSA-N 0 1 418.497 4.386 40 0 HIABMN Cc1ccc(CN2CCN(C)[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)s1 ZINC000306142865 568904499 /nfs/dbraw/zinc/90/44/99/568904499.db2.gz XMVHQCGBCQGBTQ-QFIPXVFZSA-N 0 1 403.555 4.255 40 0 HIABMN CCc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)CC)C(=O)NC2=S)cc1 ZINC000006359161 569331603 /nfs/dbraw/zinc/33/16/03/569331603.db2.gz BSZUFAZTSAYEMV-WBFOAEISSA-N 0 1 408.523 4.258 40 0 HIABMN COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)C3CCCC3)c3nccs3)C2)cc1 ZINC000012408196 569344831 /nfs/dbraw/zinc/34/48/31/569344831.db2.gz KKFFWSRPMWWKBY-PZJWPPBQSA-N 0 1 413.587 4.411 40 0 HIABMN COc1ccc(CN2CCN(C)C[C@@H]2c2ccccc2)cc1OCc1ccccn1 ZINC000019662982 569345827 /nfs/dbraw/zinc/34/58/27/569345827.db2.gz VOPWUBMBBOMTSN-HSZRJFAPSA-N 0 1 403.526 4.158 40 0 HIABMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1Cc1ccccc1 ZINC000033429793 569350558 /nfs/dbraw/zinc/35/05/58/569350558.db2.gz VOTVESCCLAJVPC-UDWIEESQSA-N 0 1 403.438 4.249 40 0 HIABMN Cc1nc(-c2cccs2)cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)c2ccccc2)n1 ZINC000015672548 291268568 /nfs/dbraw/zinc/26/85/68/291268568.db2.gz UPDCEOHKRCPDKM-ZCNNSNEGSA-N 0 1 418.566 4.121 40 0 biogenic,in-vitro HIABMN Cc1nc(-c2cccs2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccccc2)n1 ZINC000015672548 291268572 /nfs/dbraw/zinc/26/85/72/291268572.db2.gz UPDCEOHKRCPDKM-ZCNNSNEGSA-N 0 1 418.566 4.121 40 0 biogenic,in-vitro HIABMN O=C(C1CCCC1)N1CCCc2cc([C@H](O)CN3CCC(C(F)(F)F)CC3)ccc21 ZINC000012291642 132358023 /nfs/dbraw/zinc/35/80/23/132358023.db2.gz VNTASUSXQLMGDN-OAQYLSRUSA-N 0 1 424.507 4.464 40 0 HIABMN Cc1ccccc1OC[C@@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000044852563 525304892 /nfs/dbraw/zinc/30/48/92/525304892.db2.gz DCNNNEGZDHAMAZ-GOSISDBHSA-N 0 1 400.950 4.444 40 0 HIABMN O=C([O-])C1(c2ccccc2)CC[NH+](CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000408547192 557370315 /nfs/dbraw/zinc/37/03/15/557370315.db2.gz UKRHQSJWCWBQRA-UHFFFAOYSA-N 0 1 407.297 4.050 40 0 HIABMN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cccnc3)ccc2Cl)c1 ZINC000408545921 557376913 /nfs/dbraw/zinc/37/69/13/557376913.db2.gz BNZBFNJFYLSPGO-UHFFFAOYSA-N 0 1 415.902 4.405 40 0 HIABMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2c(F)cccc2F)cc1 ZINC000408546222 557382405 /nfs/dbraw/zinc/38/24/05/557382405.db2.gz RNOXMVXEUDGKEU-UHFFFAOYSA-N 0 1 402.422 4.326 40 0 HIABMN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000005858436 557677638 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COc1cc(CNC(=O)C2CCN(Cc3ccccc3F)CC2)ccc1OC(C)C ZINC000039771984 558686282 /nfs/dbraw/zinc/68/62/82/558686282.db2.gz YFMMEOIDRSKDOQ-UHFFFAOYSA-N 0 1 414.521 4.150 40 0 HIABMN CC(C)NC(=O)c1ccccc1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000039755046 558687484 /nfs/dbraw/zinc/68/74/84/558687484.db2.gz SUESQLWXLNKZLD-UHFFFAOYSA-N 0 1 413.949 4.329 40 0 HIABMN Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COc2cc(C)c(Cl)c(C)c2)CC1 ZINC000028614972 558702360 /nfs/dbraw/zinc/70/23/60/558702360.db2.gz VTFVFBJMJCVOSM-LJQANCHMSA-N 0 1 423.384 4.481 40 0 HIABMN Cc1cc2c(cc1Cl)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000019125639 558844644 /nfs/dbraw/zinc/84/46/44/558844644.db2.gz XHOOPBOIMCWNOQ-PMACEKPBSA-N 0 1 423.887 4.311 40 0 HIABMN Cc1cccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)c1 ZINC000019234413 558853772 /nfs/dbraw/zinc/85/37/72/558853772.db2.gz OTEIEXNIOOWHHK-QFIPXVFZSA-N 0 1 420.557 4.159 40 0 HIABMN CCCN1CCN(Cc2ccccn2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502942 558900305 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404.470 4.347 40 0 HIABMN O=C(c1ccn[nH]1)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358070 558953723 /nfs/dbraw/zinc/95/37/23/558953723.db2.gz JVSQLAPRZZZLNE-IBGZPJMESA-N 0 1 400.404 4.392 40 0 HIABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)c2cc3c(c(C)ccc3C)n2C)cc1 ZINC000019663322 558954227 /nfs/dbraw/zinc/95/42/27/558954227.db2.gz QDNAXKHBRFICCO-XMMPIXPASA-N 0 1 414.509 4.315 40 0 HIABMN Cn1cc(CN2CCC(c3cncc(-c4cccc(C(F)(F)F)c4)n3)CC2)cn1 ZINC000072359732 558955447 /nfs/dbraw/zinc/95/54/47/558955447.db2.gz UNLQONFRRKCFOS-UHFFFAOYSA-N 0 1 401.436 4.276 40 0 HIABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)c2cc(-c3cccc(F)c3)no2)cc1 ZINC000019666765 558956420 /nfs/dbraw/zinc/95/64/20/558956420.db2.gz KCPZBHNWEJZBAE-JOCHJYFZSA-N 0 1 418.428 4.000 40 0 HIABMN CCc1ncc(CN2CCCC[C@@H]2Cc2c3ccccc3sc2C(=O)NC)cn1 ZINC000072370483 558956817 /nfs/dbraw/zinc/95/68/17/558956817.db2.gz CKUFPWCWFAMPQH-QGZVFWFLSA-N 0 1 408.571 4.211 40 0 HIABMN O=C(CCc1ccccc1)N1CC[C@@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 ZINC000072371264 558957980 /nfs/dbraw/zinc/95/79/80/558957980.db2.gz RRIUUEDOJLQYIV-LJQANCHMSA-N 0 1 407.489 4.119 40 0 HIABMN Cc1ncsc1C(=O)N1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371528 558958465 /nfs/dbraw/zinc/95/84/65/558958465.db2.gz RFMUWFAPQGDYLP-CQSZACIVSA-N 0 1 416.934 4.079 40 0 HIABMN O=C(CCc1ccccc1)N1CCC[C@@H]1c1cc(CCOc2ccccc2F)[nH]n1 ZINC000019703704 558967803 /nfs/dbraw/zinc/96/78/03/558967803.db2.gz USBNMSNPZVYDHD-JOCHJYFZSA-N 0 1 407.489 4.467 40 0 HIABMN Cc1ccc(-c2nc(NC(=O)c3ccc4c(c3)ncn4C)sc2CN(C)C)cc1 ZINC000019718417 558981874 /nfs/dbraw/zinc/98/18/74/558981874.db2.gz OIOZIIMRNMUTNJ-UHFFFAOYSA-N 0 1 405.527 4.319 40 0 HIABMN CC1(C)Oc2ccccc2[C@H]2O[C@H]3CC[N@@H+](Cc4ccccc4OCC(=O)[O-])[C@@H]3C[C@@H]21 ZINC000585262357 559110837 /nfs/dbraw/zinc/11/08/37/559110837.db2.gz XUUVBVOTVFVKHI-SMKKKYSBSA-N 0 1 423.509 4.042 40 0 HIABMN COc1ccc(CN2CC[C@@](C)(O)[C@@H](NC(=O)C3CCCC3)[C@@H]2c2ccccc2)cc1 ZINC000514290057 560030876 /nfs/dbraw/zinc/03/08/76/560030876.db2.gz WHGBPTYIJJBQPQ-KYPHJKQUSA-N 0 1 422.569 4.068 40 0 biogenic,in-vitro HIABMN COc1cccc2[nH]c(C[C@H]3C[N@H+](C4CCC(F)(F)CC4)CC[C@H]3CC(=O)[O-])nc21 ZINC000514288895 560034017 /nfs/dbraw/zinc/03/40/17/560034017.db2.gz LFIIITKDYALOSP-GJZGRUSLSA-N 0 1 421.488 4.105 40 0 biogenic,in-vitro HIABMN CCCN1C(=O)c2n[nH]c(-c3cccc(OC)c3)c2[C@H]1c1cc(OC)ccc1OC ZINC000004909933 560618113 /nfs/dbraw/zinc/61/81/13/560618113.db2.gz GKYPGQMLHKZENO-JOCHJYFZSA-N 0 1 407.470 4.058 40 0 HIABMN CCCN1C(=O)c2n[nH]c(-c3ccc(OCC)cc3)c2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000004909860 560618127 /nfs/dbraw/zinc/61/81/27/560618127.db2.gz WEJVBIRFONWLOC-QHCPKHFHSA-N 0 1 421.497 4.448 40 0 HIABMN CCCN1C(=O)c2n[nH]c(-c3cccc(OC)c3)c2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000004909917 560618137 /nfs/dbraw/zinc/61/81/37/560618137.db2.gz UUJNGWDBEYCSPQ-QFIPXVFZSA-N 0 1 407.470 4.058 40 0 HIABMN Cc1ccc2nc(C3CCN(S(=O)(=O)c4ccc(Cl)c(F)c4)CC3)[nH]c2c1 ZINC000005626072 560627916 /nfs/dbraw/zinc/62/79/16/560627916.db2.gz SVGLTSWIAGLGBN-UHFFFAOYSA-N 0 1 407.898 4.232 40 0 HIABMN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCc3ccco3)ccc2Cl)c1 ZINC000409411624 560721610 /nfs/dbraw/zinc/72/16/10/560721610.db2.gz YCLNFVNGVGLBAG-UHFFFAOYSA-N 0 1 418.902 4.281 40 0 HIABMN Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102741701 560731917 /nfs/dbraw/zinc/73/19/17/560731917.db2.gz ZJGYCTPYSNYSNS-BHIFYINESA-N 0 1 402.425 4.185 40 0 HIABMN Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102741701 560731919 /nfs/dbraw/zinc/73/19/19/560731919.db2.gz ZJGYCTPYSNYSNS-BHIFYINESA-N 0 1 402.425 4.185 40 0 HIABMN CCOc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000010112186 560763872 /nfs/dbraw/zinc/76/38/72/560763872.db2.gz IFBZEWKNHNPFOI-UHFFFAOYSA-N 0 1 410.495 4.447 40 0 HIABMN O[C@]1(c2ccccc2)CCN(Cc2nc(-c3cccnc3Cl)no2)[C@@H]2CCCC[C@@H]21 ZINC000013992533 560831633 /nfs/dbraw/zinc/83/16/33/560831633.db2.gz UPSVTWZBYSGRDW-YYDVJCTNSA-N 0 1 424.932 4.437 40 0 HIABMN CCOc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000006576865 568455969 /nfs/dbraw/zinc/45/59/69/568455969.db2.gz HEPOAYPHPZOHIU-VJBWXMMDSA-N 0 1 414.461 4.136 40 0 HIABMN COc1cc(C)c(C=C2C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000033727885 568697731 /nfs/dbraw/zinc/69/77/31/568697731.db2.gz DTLBIUIKRWBFSD-MHWRWJLKSA-N 0 1 410.495 4.301 40 0 HIABMN COc1cccc(N2CCC([N@@H+](CCC(=O)[O-])Cc3ccc(Cl)cc3)CC2)c1 ZINC000257202644 568776920 /nfs/dbraw/zinc/77/69/20/568776920.db2.gz AMSQTQYFXCWMKA-UHFFFAOYSA-N 0 1 402.922 4.294 40 0 HIABMN CCCCc1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4OC)o3)C2)n[nH]1 ZINC000257266738 568794546 /nfs/dbraw/zinc/79/45/46/568794546.db2.gz MEHIGYKGXVEUAS-GOSISDBHSA-N 0 1 422.529 4.360 40 0 HIABMN COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)c4cc(C(C)C)[nH]n4)C3)o2)cc1 ZINC000257293096 568802448 /nfs/dbraw/zinc/80/24/48/568802448.db2.gz QOCBIKSOLBFOAL-QGZVFWFLSA-N 0 1 408.502 4.140 40 0 HIABMN Cc1nc([C@H]2CCCN(Cc3ccc(F)cc3)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257298943 568804242 /nfs/dbraw/zinc/80/42/42/568804242.db2.gz RNZSLYXAQLMHEA-NRFANRHFSA-N 0 1 424.564 4.167 40 0 HIABMN COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3[C@H](CC[N@H+]3Cc3ccccc3C(=O)[O-])O[C@H]21 ZINC000257329355 568812856 /nfs/dbraw/zinc/81/28/56/568812856.db2.gz XJOCNSMXZJJJGD-CUXKYVRBSA-N 0 1 423.509 4.285 40 0 HIABMN Cc1ccc(CN2CCN(C)[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)s1 ZINC000306142864 568904450 /nfs/dbraw/zinc/90/44/50/568904450.db2.gz XMVHQCGBCQGBTQ-JOCHJYFZSA-N 0 1 403.555 4.255 40 0 HIABMN CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@H](c1ccc(C(F)(F)F)cc1)N2 ZINC000306145332 568906466 /nfs/dbraw/zinc/90/64/66/568906466.db2.gz BPQFVOXIUDDJPT-MRXNPFEDSA-N 0 1 400.441 4.136 40 0 HIABMN Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COC23CC4CC(CC(C4)C2)C3)CC1 ZINC000027533991 568916651 /nfs/dbraw/zinc/91/66/51/568916651.db2.gz BHSZPOUQRCMKOD-GPUVRGFBSA-N 0 1 419.009 4.117 40 0 HIABMN O=C([O-])/C=C/[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000102429876 568937190 /nfs/dbraw/zinc/93/71/90/568937190.db2.gz BWIXUWQSMPZABO-GNNUASRNSA-N 0 1 421.472 4.258 40 0 HIABMN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000023224610 569024585 /nfs/dbraw/zinc/02/45/85/569024585.db2.gz XPZYNXNJVXSWRE-MSYGRNIXSA-N 0 1 409.014 4.300 40 0 HIABMN C[C@@H]1Cc2cc(C[N@H+]3CCC[C@H]([C@@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2O1 ZINC000253594293 569318340 /nfs/dbraw/zinc/31/83/40/569318340.db2.gz WSBUQQOHDOYUOG-DHTSOJEISA-N 0 1 419.569 4.275 40 0 HIABMN COc1ccccc1N1C(=O)/C(=C/c2cn(C(C)C)c3ccccc23)C(=O)NC1=S ZINC000006348039 569331174 /nfs/dbraw/zinc/33/11/74/569331174.db2.gz GIRHUPHEKBDNNG-SFQUDFHCSA-N 0 1 419.506 4.062 40 0 HIABMN CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCCC4)o3)C(=O)NC2=S)cc1 ZINC000008200799 569339891 /nfs/dbraw/zinc/33/98/91/569339891.db2.gz BQFAFZGJVXMPEH-XDJHFCHBSA-N 0 1 423.538 4.054 40 0 HIABMN O=C(C1CCN(Cc2cccc(Cl)c2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009063302 569342349 /nfs/dbraw/zinc/34/23/49/569342349.db2.gz PPZNMHLWPFEBQP-UHFFFAOYSA-N 0 1 415.940 4.040 40 0 HIABMN CCN(CC)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN1Cc1ccccn1 ZINC000019696554 569346816 /nfs/dbraw/zinc/34/68/16/569346816.db2.gz ZRKMRHXMQOASFH-VWLOTQADSA-N 0 1 418.541 4.182 40 0 HIABMN O=C(CCC1CCCC1)N1CC[C@@H](c2ccc3c(n[nH]c3NCc3ccccn3)n2)C1 ZINC000019704960 569347747 /nfs/dbraw/zinc/34/77/47/569347747.db2.gz NTBHGEPITIBFRA-GOSISDBHSA-N 0 1 418.545 4.251 40 0 HIABMN COc1ccccc1Cc1cnc([C@@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3)C2)o1 ZINC000257260840 569397835 /nfs/dbraw/zinc/39/78/35/569397835.db2.gz LEQUYZDLAPXTSM-HXUWFJFHSA-N 0 1 406.482 4.352 40 0 HIABMN Cc1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(-c3ccccc3)nn2C)cc1 ZINC000008635322 291267933 /nfs/dbraw/zinc/26/79/33/291267933.db2.gz CUIRVFRVDKEKFY-ZRBLBEILSA-N 0 1 414.553 4.003 40 0 biogenic,in-vitro HIABMN Cc1ccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000015675816 291268074 /nfs/dbraw/zinc/26/80/74/291268074.db2.gz FQLXPHSLMPQINO-FQEVSTJZSA-N 0 1 414.469 4.408 40 0 biogenic,in-vitro HIABMN O[C@@H](COCC(c1ccccc1)c1ccccc1)CN1CCN(c2ccccc2)CC1 ZINC000040373096 527656892 /nfs/dbraw/zinc/65/68/92/527656892.db2.gz VQKBWYZFCOPZDG-AREMUKBSSA-N 0 1 416.565 4.018 40 0 HIABMN O=C([O-])C1(c2ccccc2)CC[NH+](CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000408547474 557370206 /nfs/dbraw/zinc/37/02/06/557370206.db2.gz XHNYLKTVTFPJLL-UHFFFAOYSA-N 0 1 407.297 4.050 40 0 HIABMN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000408594519 557512342 /nfs/dbraw/zinc/51/23/42/557512342.db2.gz SOWVODVEXYRMHM-UHFFFAOYSA-N 0 1 411.911 4.023 40 0 HIABMN CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000408605744 557517898 /nfs/dbraw/zinc/51/78/98/557517898.db2.gz GPOIUZWCUCYXFP-INIZCTEOSA-N 0 1 410.417 4.321 40 0 HIABMN CCOc1ccc2nc(NC(=O)CSc3nc4ccc(OC)cc4[nH]3)sc2c1 ZINC000004732359 557588570 /nfs/dbraw/zinc/58/85/70/557588570.db2.gz CHGXDEQIEZNXEV-UHFFFAOYSA-N 0 1 414.512 4.311 40 0 HIABMN COCc1cc(C)nc2sc3c([nH]c(-c4ccc(Br)cc4)nc3=O)c21 ZINC000009235261 557831242 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ZINC000096053481 559093526 /nfs/dbraw/zinc/09/35/26/559093526.db2.gz MVRXNGFMMWXHDR-NRFANRHFSA-N 0 1 407.558 4.241 40 0 HIABMN CC(C)[C@@H]([NH2+]Cc1cccc(F)c1F)c1cc(=O)n2[n-]c(C3CCOCC3)cc2n1 ZINC000100769467 559140228 /nfs/dbraw/zinc/14/02/28/559140228.db2.gz GYVDGLAULIOGGH-JOCHJYFZSA-N 0 1 416.472 4.094 40 0 HIABMN CCCN1C(=O)c2n[nH]c(-c3ccc(OCC)cc3)c2[C@H]1c1ccc(O)c(OC)c1 ZINC000004909889 560618123 /nfs/dbraw/zinc/61/81/23/560618123.db2.gz LGLKIJUOLWSDFM-JOCHJYFZSA-N 0 1 407.470 4.145 40 0 HIABMN O=C1NC(=O)/C(=C\c2cc(Br)ccc2OCc2cccc3ccccc32)N1 ZINC000409043526 560669198 /nfs/dbraw/zinc/66/91/98/560669198.db2.gz RNWKUUJERPNQBO-WOJGMQOQSA-N 0 1 423.266 4.362 40 0 HIABMN COc1ccc(N2O[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000102699069 560731937 /nfs/dbraw/zinc/73/19/37/560731937.db2.gz GKSKCRIAZYSLAD-XPWALMASSA-N 0 1 414.461 4.055 40 0 HIABMN CC(C)CSc1nnc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)s1 ZINC000223447567 568549191 /nfs/dbraw/zinc/54/91/91/568549191.db2.gz 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CCOc1ccc(-c2cc(C(=O)N3C[C@@H]4CC[C@H](Oc5ccccc5)[C@@H]4C3)n[nH]2)cc1 ZINC000257260658 568793121 /nfs/dbraw/zinc/79/31/21/568793121.db2.gz LDUKROAPDKPITD-VNZMSGEBSA-N 0 1 417.509 4.405 40 0 HIABMN CCCCc1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)n[nH]1 ZINC000257264642 568794008 /nfs/dbraw/zinc/79/40/08/568794008.db2.gz LVKDXIMVALUANF-QGZVFWFLSA-N 0 1 410.493 4.490 40 0 HIABMN Cc1ccc2[nH]nc(C(=O)N3CC[C@H](c4cc(Nc5nccs5)cc(C)n4)C3)c2c1 ZINC000257267481 568794921 /nfs/dbraw/zinc/79/49/21/568794921.db2.gz MHMHPCZSTONKAA-HNNXBMFYSA-N 0 1 418.526 4.405 40 0 HIABMN CC(C)Oc1ccccc1C[N@@H+](CC(=O)[O-])C1CCN(c2ccc(F)cc2)CC1 ZINC000257333056 568813955 /nfs/dbraw/zinc/81/39/55/568813955.db2.gz XZXLQPZJGGIQTH-UHFFFAOYSA-N 0 1 400.494 4.169 40 0 HIABMN CN1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1 ZINC000004058378 568934027 /nfs/dbraw/zinc/93/40/27/568934027.db2.gz MVANGJDUHJVWID-UHFFFAOYSA-N 0 1 401.510 4.270 40 0 HIABMN CC[C@@H](C)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2cccnc2)n1 ZINC000328989650 568971671 /nfs/dbraw/zinc/97/16/71/568971671.db2.gz ILBDSWDMZMIPKM-LLVKDONJSA-N 0 1 404.301 4.349 40 0 HIABMN CC[C@H](OC[C@@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1)c1ccccc1 ZINC000026781621 569025661 /nfs/dbraw/zinc/02/56/61/569025661.db2.gz XDGHMINXQDHNKB-GMAHTHKFSA-N 0 1 402.966 4.299 40 0 HIABMN CCc1ccc(N2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)C(=O)NC2=S)cc1 ZINC000008200791 569339798 /nfs/dbraw/zinc/33/97/98/569339798.db2.gz UKDPNYCAPWSCMH-LFIBNONCSA-N 0 1 404.413 4.099 40 0 HIABMN COc1ccccc1CCCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000009062650 569342208 /nfs/dbraw/zinc/34/22/08/569342208.db2.gz WIXXHXJFJSCQNR-UHFFFAOYSA-N 0 1 400.950 4.310 40 0 HIABMN COc1ccccc1-c1n[nH]c(SCc2ccc(I)cc2)n1 ZINC000010475489 569344410 /nfs/dbraw/zinc/34/44/10/569344410.db2.gz BKFSHLCUBYPHRJ-UHFFFAOYSA-N 0 1 423.279 4.377 40 0 HIABMN Cn1nc(-c2cccs2)cc1[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccccc1 ZINC000012601943 845878214 /nfs/dbraw/zinc/87/82/14/845878214.db2.gz OOUJOVAVRMSYTE-UHOSZYNNSA-N 0 1 421.570 4.148 40 0 biogenic,in-vitro HIABMN COc1ccc2c(c1)CN(Cc1ccc(OC(F)(F)F)cc1)CC[C@H]1COC(=O)N21 ZINC000225491806 291266829 /nfs/dbraw/zinc/26/68/29/291266829.db2.gz JTJLVALDWJTHKI-INIZCTEOSA-N 0 1 422.403 4.325 40 0 biogenic,in-vitro HIABMN Cc1ccccc1OC[C@@H](C)NC(=O)C1CCN(Cc2ccccc2Cl)CC1 ZINC000044852556 525304409 /nfs/dbraw/zinc/30/44/09/525304409.db2.gz PHYBJJNKUCWLAG-GOSISDBHSA-N 0 1 400.950 4.444 40 0 HIABMN Fc1ccc(-n2cc(CN(CCCn3ccnc3)Cc3cccc(F)c3)cn2)cc1 ZINC000043277722 526319481 /nfs/dbraw/zinc/31/94/81/526319481.db2.gz GPDMNNGSHALNPR-UHFFFAOYSA-N 0 1 407.468 4.440 40 0 HIABMN O=C(N[C@H](c1nccs1)[C@H]1CCCN(Cc2ccccc2F)C1)c1ccccn1 ZINC000036719520 527011885 /nfs/dbraw/zinc/01/18/85/527011885.db2.gz DBAKZBZRXBMCFF-PXNSSMCTSA-N 0 1 410.518 4.061 40 0 HIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000408598145 557508348 /nfs/dbraw/zinc/50/83/48/557508348.db2.gz XKMDFFKKHLNTNI-UHFFFAOYSA-N 0 1 417.531 4.212 40 0 HIABMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2ccc(C(C)=O)cc2)n1 ZINC000006464235 557703865 /nfs/dbraw/zinc/70/38/65/557703865.db2.gz RIKVHFSNNRYNCS-UHFFFAOYSA-N 0 1 416.890 4.067 40 0 HIABMN CCOc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1NC(=O)CC ZINC000408696869 557714133 /nfs/dbraw/zinc/71/41/33/557714133.db2.gz FLPFBUOVGZUEPI-UHFFFAOYSA-N 0 1 416.421 4.253 40 0 HIABMN CC(C)NC(=O)c1cc([C@@H]2CCN(Cc3cnc(C(C)C)nc3)C2)nc2ccccc21 ZINC000019761893 558276897 /nfs/dbraw/zinc/27/68/97/558276897.db2.gz MNJZWIBCTQCWHZ-LJQANCHMSA-N 0 1 417.557 4.276 40 0 HIABMN O=C(c1nsc(Cl)c1Cl)N1CCC[C@@H](c2[nH]ncc2-c2ccncc2)C1 ZINC000012115945 558328139 /nfs/dbraw/zinc/32/81/39/558328139.db2.gz ZVPWJKFKUKOIAD-LLVKDONJSA-N 0 1 408.314 4.255 40 0 HIABMN COc1ccc(CN2CCC(O)(c3ccccc3F)CC2)cc1Cc1c(C)n[nH]c1C ZINC000012240595 558360193 /nfs/dbraw/zinc/36/01/93/558360193.db2.gz UMKXJPDWSXPFAC-UHFFFAOYSA-N 0 1 423.532 4.249 40 0 HIABMN COc1ccc(CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)cc1OC(C)C ZINC000012344671 558386436 /nfs/dbraw/zinc/38/64/36/558386436.db2.gz BYRVOZUKUSGNCY-UHFFFAOYSA-N 0 1 414.521 4.249 40 0 HIABMN COC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000039748292 558686952 /nfs/dbraw/zinc/68/69/52/558686952.db2.gz SPDARONGMZSLKO-UHFFFAOYSA-N 0 1 400.906 4.286 40 0 HIABMN Cc1cccc(CN2CCC([C@@H](NC(=O)c3ccccc3C)c3ccccn3)CC2)n1 ZINC000019236872 558856171 /nfs/dbraw/zinc/85/61/71/558856171.db2.gz KGLONEYOHUIMEK-RUZDIDTESA-N 0 1 414.553 4.477 40 0 HIABMN O=C(NCc1ccncc1)c1cc([C@H]2CCCN(Cc3cccc(Cl)c3)C2)no1 ZINC000019293409 558865180 /nfs/dbraw/zinc/86/51/80/558865180.db2.gz QXSVQCDDYQXVHJ-SFHVURJKSA-N 0 1 410.905 4.033 40 0 HIABMN O=C(CN1CCC(n2cnc3cccnc32)CC1)Nc1ccccc1-c1ccccc1 ZINC000019374318 558881321 /nfs/dbraw/zinc/88/13/21/558881321.db2.gz HYGKGAYYHVCINS-UHFFFAOYSA-N 0 1 411.509 4.374 40 0 HIABMN CN1CCN(c2cc(NC(=O)c3cc(Cl)ccc3Cl)c(Cl)cc2N)CC1 ZINC000072229431 558932043 /nfs/dbraw/zinc/93/20/43/558932043.db2.gz MOQHGQVBTSPHPP-UHFFFAOYSA-N 0 1 413.736 4.233 40 0 HIABMN O=C(c1ccccn1)N1C[C@@H]2CCCCN(Cc3cccc(C(F)(F)F)c3)[C@@H]2C1 ZINC000072330649 558935146 /nfs/dbraw/zinc/93/51/46/558935146.db2.gz HFCFUODOKCOKJU-FXAWDEMLSA-N 0 1 403.448 4.227 40 0 HIABMN CCN(CC)C(=O)CN1CCC[C@@H](c2cc(Cc3ccc(OC)cc3)cc(C)n2)C1 ZINC000072353811 558950875 /nfs/dbraw/zinc/95/08/75/558950875.db2.gz KLJBKKSKHMZRAA-JOCHJYFZSA-N 0 1 409.574 4.037 40 0 HIABMN COc1cccc(OC)c1CN1CCC[C@@H](c2cncc(Nc3ncccc3C)n2)C1 ZINC000072354368 558951633 /nfs/dbraw/zinc/95/16/33/558951633.db2.gz MDZSFPFZOHDQIM-GOSISDBHSA-N 0 1 419.529 4.320 40 0 HIABMN COc1cc(CN2CCN(C)C[C@@H]2c2ccccc2)ccc1OCc1c(C)noc1C ZINC000019664449 558954794 /nfs/dbraw/zinc/95/47/94/558954794.db2.gz MIGNANVOJQHZIY-HSZRJFAPSA-N 0 1 421.541 4.368 40 0 HIABMN O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2)C1 ZINC000072380283 558968469 /nfs/dbraw/zinc/96/84/69/558968469.db2.gz HMDMUCWOSSPDFX-MRXNPFEDSA-N 0 1 401.919 4.298 40 0 HIABMN O=C1CCCN1c1ccc(CN2CCN(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000019715900 558977342 /nfs/dbraw/zinc/97/73/42/558977342.db2.gz FMPWWSHAZHXBFT-UHFFFAOYSA-N 0 1 403.448 4.154 40 0 HIABMN Cc1onc(-c2ccc(Cl)cc2)c1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000019718806 558982382 /nfs/dbraw/zinc/98/23/82/558982382.db2.gz JLXYGLKLRDEQGH-UHFFFAOYSA-N 0 1 410.905 4.093 40 0 HIABMN O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCCN2Cc2ccc(Cl)cc2)C1 ZINC000096071299 559094375 /nfs/dbraw/zinc/09/43/75/559094375.db2.gz OBQXJZKVUBUZDM-NRFANRHFSA-N 0 1 404.963 4.159 40 0 HIABMN CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)N(Cc2ccccc2)CC[C@@]1(C)O ZINC000514289889 560031397 /nfs/dbraw/zinc/03/13/97/560031397.db2.gz LQKGFKYNYOTNSF-QNWVGRARSA-N 0 1 400.588 4.367 40 0 biogenic,in-vitro HIABMN Cc1cc(NC(=O)c2cc(S(=O)(=O)Nc3cc(C)ccc3C)c(C)s2)no1 ZINC000006680201 560633774 /nfs/dbraw/zinc/63/37/74/560633774.db2.gz AYAXEPIOVJXQSL-UHFFFAOYSA-N 0 1 405.501 4.023 40 0 HIABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC(C)CC3)ccc2Cl)cc1 ZINC000409410614 560721379 /nfs/dbraw/zinc/72/13/79/560721379.db2.gz YMVIIYGBFKZOPG-UHFFFAOYSA-N 0 1 406.935 4.321 40 0 HIABMN Cc1ccccc1N1O[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]1c1ccco1 ZINC000004163382 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559116330 /nfs/dbraw/zinc/11/63/30/559116330.db2.gz ZBRNOIREPPJJRK-AUSIDOKSSA-N 0 1 422.997 4.239 40 0 HIABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CCCC3)ccc2Cl)c(C)c1 ZINC000006213895 559192052 /nfs/dbraw/zinc/19/20/52/559192052.db2.gz UVWXZRFFODSWHY-UHFFFAOYSA-N 0 1 406.935 4.430 40 0 HIABMN C[C@@]1(O)CCN(Cc2ccccc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514289834 560031532 /nfs/dbraw/zinc/03/15/32/560031532.db2.gz IVFILVVQXUEBFX-WPFOTENUSA-N 0 1 406.551 4.245 40 0 biogenic,in-vitro HIABMN O=C(CN1CCC(n2cnc3cc(F)ccc32)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000001371018 560577816 /nfs/dbraw/zinc/57/78/16/560577816.db2.gz RFHQUMLXLKQRAM-UHFFFAOYSA-N 0 1 420.410 4.470 40 0 HIABMN CCc1cccc(CC)c1NC(=O)CN1CCC(n2nnc3cc(C)ccc32)CC1 ZINC000004895324 560611089 /nfs/dbraw/zinc/61/10/89/560611089.db2.gz ROOJTGGJFJWTKD-UHFFFAOYSA-N 0 1 405.546 4.140 40 0 HIABMN O=c1c2c(O)cc(CSc3ccc(Cl)cc3)[nH]c-2nn1-c1ccc(F)cc1 ZINC000008020779 560753068 /nfs/dbraw/zinc/75/30/68/560753068.db2.gz JQAXAUSNYVNXFK-UHFFFAOYSA-N 0 1 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403.555 4.255 40 0 HIABMN COc1ncccc1CN1CCC[C@H](c2nc3ccc(-c4cccs4)cn3n2)C1 ZINC000306143877 568905229 /nfs/dbraw/zinc/90/52/29/568905229.db2.gz YPGFWVZLQCFGTG-KRWDZBQOSA-N 0 1 405.527 4.241 40 0 HIABMN Brc1ccc(CNc2cc(C3CC3)nc(NC3CCCCC3)n2)cc1 ZINC000329016834 568972722 /nfs/dbraw/zinc/97/27/22/568972722.db2.gz NIHNZADYATXBKM-UHFFFAOYSA-N 0 1 401.352 4.317 40 0 HIABMN CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNCc3ccc(F)cc3)cc12 ZINC000026440724 569031821 /nfs/dbraw/zinc/03/18/21/569031821.db2.gz FNTHOJYTSYJIRM-UHFFFAOYSA-N 0 1 404.489 4.440 40 0 HIABMN O[C@]1(c2ccccc2)CCN(Cc2nc(-c3cccnc3Cl)no2)[C@@H]2CCCC[C@H]21 ZINC000229942808 569287192 /nfs/dbraw/zinc/28/71/92/569287192.db2.gz UPSVTWZBYSGRDW-PWHSHALESA-N 0 1 424.932 4.437 40 0 HIABMN CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3C)C(=O)NC2=S)cc1 ZINC000006225244 569329978 /nfs/dbraw/zinc/32/99/78/569329978.db2.gz CUOYXWOCPKFXON-HMMYKYKNSA-N 0 1 415.518 4.179 40 0 HIABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2Cl)c1C ZINC000006368753 569331682 /nfs/dbraw/zinc/33/16/82/569331682.db2.gz OTAVENIGYFBJAD-UHFFFAOYSA-N 0 1 406.935 4.384 40 0 HIABMN CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c1C ZINC000007468858 569337631 /nfs/dbraw/zinc/33/76/31/569337631.db2.gz INDRLZSVXWBIMK-XSFVSMFZSA-N 0 1 405.498 4.061 40 0 HIABMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000008477327 569341502 /nfs/dbraw/zinc/34/15/02/569341502.db2.gz XAXSRQHFTABFNN-LFIBNONCSA-N 0 1 416.886 4.489 40 0 HIABMN COc1ccc(OC[C@H](C)NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000009062628 569342193 /nfs/dbraw/zinc/34/21/93/569342193.db2.gz DCTTXVDBDPFOGN-KRWDZBQOSA-N 0 1 416.949 4.144 40 0 HIABMN CCN(CC)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN1Cc1ccccn1 ZINC000019696555 569346832 /nfs/dbraw/zinc/34/68/32/569346832.db2.gz ZRKMRHXMQOASFH-RUZDIDTESA-N 0 1 418.541 4.182 40 0 HIABMN Cc1ccc(-c2ccc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)o2)cc1[N+](=O)[O-] ZINC000033703250 569351060 /nfs/dbraw/zinc/35/10/60/569351060.db2.gz IJPJHNUPHZPHSZ-MHWRWJLKSA-N 0 1 421.365 4.259 40 0 HIABMN CCC(CC)C(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2cccs2)nc(C)n1 ZINC000008623081 291262697 /nfs/dbraw/zinc/26/26/97/291262697.db2.gz INPMOYGCGRLHMS-OTWHNJEPSA-N 0 1 412.603 4.244 40 0 biogenic,in-vitro HIABMN CCC(CC)C(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2cccs2)nc(C)n1 ZINC000008623081 291262700 /nfs/dbraw/zinc/26/27/00/291262700.db2.gz INPMOYGCGRLHMS-OTWHNJEPSA-N 0 1 412.603 4.244 40 0 biogenic,in-vitro HIABMN O=C(c1ccco1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000015675928 291270040 /nfs/dbraw/zinc/27/00/40/291270040.db2.gz BNINVXFVYWPOGR-IBGZPJMESA-N 0 1 411.421 4.146 40 0 biogenic,in-vitro HIABMN CCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000032116770 521170844 /nfs/dbraw/zinc/17/08/44/521170844.db2.gz AUTJEVPWCFWADL-UHFFFAOYSA-N 0 1 420.288 4.186 40 0 HIABMN COc1ccc(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2onc(C)c2C)cc1 ZINC000072341496 524030501 /nfs/dbraw/zinc/03/05/01/524030501.db2.gz UCGLGLADPNAPFW-FQEVSTJZSA-N 0 1 407.518 4.160 40 0 HIABMN Cc1ccc(OC[C@@H](C)NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000044852863 525426594 /nfs/dbraw/zinc/42/65/94/525426594.db2.gz AZVHTRLBDILCFQ-GOSISDBHSA-N 0 1 400.950 4.444 40 0 HIABMN Cc1nc([C@H]2CCCN(Cc3ccc(F)cc3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019765415 527077052 /nfs/dbraw/zinc/07/70/52/527077052.db2.gz CSRRODGIYIYPCM-NRFANRHFSA-N 0 1 418.516 4.234 40 0 HIABMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1NC(C)=O ZINC000408590336 557499797 /nfs/dbraw/zinc/49/97/97/557499797.db2.gz GCDBYXHHNPZUHY-UHFFFAOYSA-N 0 1 422.812 4.127 40 0 HIABMN CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1C ZINC000408616745 557543512 /nfs/dbraw/zinc/54/35/12/557543512.db2.gz AUPFHCXIMZQSTJ-UHFFFAOYSA-N 0 1 420.840 4.218 40 0 HIABMN Cc1cccc(-c2n[nH]c(SCC(=O)Nc3cccc(Br)c3)n2)c1 ZINC000006207382 557694236 /nfs/dbraw/zinc/69/42/36/557694236.db2.gz LWROBGZWYCQRER-UHFFFAOYSA-N 0 1 403.305 4.273 40 0 HIABMN CCCn1ncc2ccc([C@@H]3CCCN(CC(=O)N4CCCc5ccccc54)C3)nc21 ZINC000019742194 558262426 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COc1cc(NC(=O)C2CCN(Cc3ccccc3F)CC2)c(OC)cc1Cl ZINC000039752362 558686998 /nfs/dbraw/zinc/68/69/98/558686998.db2.gz LPMIICVCTNSRQL-UHFFFAOYSA-N 0 1 406.885 4.347 40 0 HIABMN CCOC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038834577 558817763 /nfs/dbraw/zinc/81/77/63/558817763.db2.gz GJCZYTHZJVNTDY-KRWDZBQOSA-N 0 1 400.906 4.367 40 0 HIABMN CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000019081861 558839994 /nfs/dbraw/zinc/83/99/94/558839994.db2.gz QEPXLMUAVBMRPA-UWJYYQICSA-N 0 1 401.501 4.475 40 0 HIABMN Cc1cc2c(cc1Cl)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000019125631 558844627 /nfs/dbraw/zinc/84/46/27/558844627.db2.gz XHOOPBOIMCWNOQ-UXHICEINSA-N 0 1 423.887 4.311 40 0 HIABMN CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)[C@H]4CC=CCC4)[n-]c(=O)c3C2)CC1 ZINC000019495978 558894881 /nfs/dbraw/zinc/89/48/81/558894881.db2.gz SDETYPROWHVNFW-LAKQMRRBSA-N 0 1 424.589 4.139 40 0 HIABMN CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)[C@H]4CC=CCC4)[n-]c(=O)c3C2)CC1 ZINC000019495978 558894882 /nfs/dbraw/zinc/89/48/82/558894882.db2.gz SDETYPROWHVNFW-LAKQMRRBSA-N 0 1 424.589 4.139 40 0 HIABMN CC[C@H](Oc1ccc(C)cc1)C(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1 ZINC000019499461 558897774 /nfs/dbraw/zinc/89/77/74/558897774.db2.gz SNQTZWFFMILOOS-JTHBVZDNSA-N 0 1 405.498 4.058 40 0 HIABMN CCc1ccccc1Nc1nc([C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)c2sccn12 ZINC000019523095 558904249 /nfs/dbraw/zinc/90/42/49/558904249.db2.gz PKBRYJXJJRKAEL-MRXNPFEDSA-N 0 1 420.542 4.445 40 0 HIABMN CCCc1ncc(CN2CC[C@@H](c3cc4nc(CC)cc(C(F)(F)F)n4n3)C2)cn1 ZINC000019525729 558907343 /nfs/dbraw/zinc/90/73/43/558907343.db2.gz IUKOCECZIMDLNJ-OAHLLOKOSA-N 0 1 418.467 4.043 40 0 HIABMN COc1ccccc1NC(=O)c1cc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)no1 ZINC000019571298 558929898 /nfs/dbraw/zinc/92/98/98/558929898.db2.gz RWBLUICYQGUWEZ-QGZVFWFLSA-N 0 1 409.461 4.454 40 0 HIABMN CC(C)c1cc(C(=O)N2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)n[nH]1 ZINC000019574769 558932354 /nfs/dbraw/zinc/93/23/54/558932354.db2.gz 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ZINC000257244051 568788478 /nfs/dbraw/zinc/78/84/78/568788478.db2.gz IJQMPHBTJHIZGJ-RTBURBONSA-N 0 1 407.562 4.189 40 0 HIABMN CC(C)Oc1ccccc1C[N@@H+](CC(=O)[O-])C1CCN(c2ccccc2F)CC1 ZINC000257254736 568791492 /nfs/dbraw/zinc/79/14/92/568791492.db2.gz KELHLFJMRVFRTN-UHFFFAOYSA-N 0 1 400.494 4.169 40 0 HIABMN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cn[nH]c1C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000257278597 568798130 /nfs/dbraw/zinc/79/81/30/568798130.db2.gz OCWHUUUZJFQRKH-RTBURBONSA-N 0 1 422.573 4.152 40 0 HIABMN C[C@@H]1CCC[C@H](C)N1C(=O)c1cn[nH]c1C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000257278595 568798202 /nfs/dbraw/zinc/79/82/02/568798202.db2.gz OCWHUUUZJFQRKH-KDURUIRLSA-N 0 1 422.573 4.152 40 0 HIABMN O=C([O-])COc1ccc(C[N@@H+]2CCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)cc1 ZINC000257320415 568810413 /nfs/dbraw/zinc/81/04/13/568810413.db2.gz VWRZWFZMTCUFNZ-NRFANRHFSA-N 0 1 410.445 4.205 40 0 HIABMN O=C([O-])COc1ccc(C[N@H+]2CCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)cc1 ZINC000257320415 568810414 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0 1 422.573 4.381 40 0 HIABMN COc1ccccc1NC(=O)c1cnc([C@@H]2CCN(Cc3ccc(F)cc3)C2)nc1C ZINC000019766136 569349035 /nfs/dbraw/zinc/34/90/35/569349035.db2.gz VRXCCHDLIGCOIX-GOSISDBHSA-N 0 1 420.488 4.175 40 0 HIABMN COc1ccccc1NC(=O)c1cnc([C@H]2CCN(Cc3ccc(F)cc3)C2)nc1C ZINC000019766137 569349065 /nfs/dbraw/zinc/34/90/65/569349065.db2.gz VRXCCHDLIGCOIX-SFHVURJKSA-N 0 1 420.488 4.175 40 0 HIABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3)ccc2Cl)c1 ZINC000033654774 569350883 /nfs/dbraw/zinc/35/08/83/569350883.db2.gz HLHJBUFSBIFRED-UHFFFAOYSA-N 0 1 414.914 4.379 40 0 HIABMN C=CCc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(OCC)c1OCC ZINC000033737488 569351211 /nfs/dbraw/zinc/35/12/11/569351211.db2.gz WVFOOBCVMQAQSX-LDADJPATSA-N 0 1 424.453 4.308 40 0 HIABMN O=C(Nc1ccc(F)cc1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000015676059 291269622 /nfs/dbraw/zinc/26/96/22/291269622.db2.gz ZGVQWRYFNCAMFR-SFHVURJKSA-N 0 1 422.395 4.069 40 0 biogenic,in-vitro HIABMN 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/nfs/dbraw/zinc/34/63/02/558346302.db2.gz AUGWHMRFALREIY-QHCPKHFHSA-N 0 1 424.541 4.012 40 0 HIABMN Oc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(Cl)c(Cl)c3)CC1)O2 ZINC000012293645 558367050 /nfs/dbraw/zinc/36/70/50/558367050.db2.gz KVRVFFDLTWMDDZ-MOPGFXCFSA-N 0 1 424.324 4.083 40 0 HIABMN CSc1ccc(CN2CCc3[nH]c4cc(-c5ccoc5C)nn4c(=O)c3C2)cc1 ZINC000012667173 558445392 /nfs/dbraw/zinc/44/53/92/558445392.db2.gz CAJFWJZSELAIHS-UHFFFAOYSA-N 0 1 406.511 4.284 40 0 HIABMN CC(C)CCc1cc(=O)[nH]c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000022448965 558490189 /nfs/dbraw/zinc/49/01/89/558490189.db2.gz JJPFIASQYNECKJ-UHFFFAOYSA-N 0 1 416.569 4.270 40 0 HIABMN CC(C)COc1ccc(-c2cc(C(=O)NC[C@@H](c3cccs3)N(C)C)no2)cc1 ZINC000028296165 558699079 /nfs/dbraw/zinc/69/90/79/558699079.db2.gz DNOKPAFNFHZFDB-IBGZPJMESA-N 0 1 413.543 4.471 40 0 HIABMN Cc1nn(C)cc1CN1CCC[C@@H]1Cn1c2ccc(C)cc2c(=O)cc1C(F)(F)F ZINC000019219874 558851486 /nfs/dbraw/zinc/85/14/86/558851486.db2.gz JVLODTFUUBFJCD-QGZVFWFLSA-N 0 1 418.463 4.035 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Cc1cccc(C2(C(=O)NC[C@@H](c3cccc(Cl)c3)N(C)C)CCOCC2)c1 ZINC000019654783 558947982 /nfs/dbraw/zinc/94/79/82/558947982.db2.gz WJCHQQZZONAANA-NRFANRHFSA-N 0 1 400.950 4.116 40 0 HIABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)c2ccc(N3CCCCC3)cc2)cc1 ZINC000019655182 558948669 /nfs/dbraw/zinc/94/86/69/558948669.db2.gz YQTJVCGLNUFJEH-XMMPIXPASA-N 0 1 416.525 4.197 40 0 HIABMN CCN(CC)C(=O)CN1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359386 558954961 /nfs/dbraw/zinc/95/49/61/558954961.db2.gz PXUHCSWKXRWRKT-QGZVFWFLSA-N 0 1 420.479 4.210 40 0 HIABMN CCN(CC)C(=O)CN1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359385 558954982 /nfs/dbraw/zinc/95/49/82/558954982.db2.gz PXUHCSWKXRWRKT-KRWDZBQOSA-N 0 1 420.479 4.210 40 0 HIABMN Cc1c(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cnn1C ZINC000019687410 558957362 /nfs/dbraw/zinc/95/73/62/558957362.db2.gz KRZZFICQWBJQKA-FQEVSTJZSA-N 0 1 410.953 4.242 40 0 HIABMN O=C(Cc1nc2ccc(Cl)cc2[nH]1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000019718981 558982541 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HIABMN CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCC[N@@H+](Cc4ccc(C(=O)[O-])cc4)[C@@H]3C[C@H]21 ZINC000585262324 559110763 /nfs/dbraw/zinc/11/07/63/559110763.db2.gz AIEDRPYNWLHYTH-CZAYHTPWSA-N 0 1 423.509 4.372 40 0 HIABMN Cc1cnc(Nc2ccnc(CC3CCN(Cc4cnc(C(C)C)nc4)CC3)n2)s1 ZINC000585263318 559112002 /nfs/dbraw/zinc/11/20/02/559112002.db2.gz VPYAKSWVSLHWHZ-UHFFFAOYSA-N 0 1 423.590 4.353 40 0 HIABMN CC[C@H](C)CN1CCO[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000585270535 559116354 /nfs/dbraw/zinc/11/63/54/559116354.db2.gz ZBRNOIREPPJJRK-CVDCTZTESA-N 0 1 422.997 4.239 40 0 HIABMN Cn1c(C[C@H]2C[N@H+](C3CCC(F)(F)CC3)CC[C@H]2CC(=O)[O-])nc2ccccc21 ZINC000514288933 560033650 /nfs/dbraw/zinc/03/36/50/560033650.db2.gz HCKONOJOBXFJHA-HOTGVXAUSA-N 0 1 405.489 4.107 40 0 biogenic,in-vitro HIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000409172887 560686761 /nfs/dbraw/zinc/68/67/61/560686761.db2.gz MNWSTDYNJYAXEC-UHFFFAOYSA-N 0 1 424.522 4.376 40 0 HIABMN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102708429 560732035 /nfs/dbraw/zinc/73/20/35/560732035.db2.gz GDTWGVYKXIFMTB-FDFHNCONSA-N 0 1 402.425 4.185 40 0 HIABMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3Br)n2)cc1 ZINC000005868923 560738732 /nfs/dbraw/zinc/73/87/32/560738732.db2.gz FHWJAJRQGYCMNE-UHFFFAOYSA-N 0 1 403.305 4.273 40 0 HIABMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCc3ccccc32)cc1 ZINC000010112438 560764031 /nfs/dbraw/zinc/76/40/31/560764031.db2.gz QCQPXIRLICVZAS-UHFFFAOYSA-N 0 1 406.507 4.389 40 0 HIABMN CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022869952 560891164 /nfs/dbraw/zinc/89/11/64/560891164.db2.gz PRFWJKBNPGNZOH-YJRNTSOCSA-N 0 1 421.025 4.050 40 0 HIABMN Cc1ccc(-c2noc(CNC(=O)C3CCN(Cc4cccc(Cl)c4)CC3)n2)cc1 ZINC000219411935 568491569 /nfs/dbraw/zinc/49/15/69/568491569.db2.gz KHOSCVFBNSPLFA-UHFFFAOYSA-N 0 1 424.932 4.227 40 0 HIABMN CCn1c2cc(Cl)c(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2oc1=O ZINC000223363625 568546507 /nfs/dbraw/zinc/54/65/07/568546507.db2.gz AUZHDSUYDLLKEZ-UHFFFAOYSA-N 0 1 421.689 4.375 40 0 HIABMN CCCCc1ccc(NS(=O)(=O)c2cc3oc(=O)n(CC)c3cc2Cl)cc1 ZINC000223365943 568546544 /nfs/dbraw/zinc/54/65/44/568546544.db2.gz SWIVGEMKBFFOOW-UHFFFAOYSA-N 0 1 408.907 4.411 40 0 HIABMN COCc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000223935283 568563481 /nfs/dbraw/zinc/56/34/81/568563481.db2.gz ZKQNOPNZZQSKST-UHFFFAOYSA-N 0 1 410.495 4.195 40 0 HIABMN CN1CCN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCCC3)cn2)CC1 ZINC000223993641 568565640 /nfs/dbraw/zinc/56/56/40/568565640.db2.gz OGOHCIKKYGQTJD-UHFFFAOYSA-N 0 1 423.630 4.022 40 0 HIABMN C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)OCCO2 ZINC000260830705 568740962 /nfs/dbraw/zinc/74/09/62/568740962.db2.gz GWRWFYIAYFQKHY-LPHOPBHVSA-N 0 1 414.933 4.201 40 0 HIABMN COc1cccc(CC(=O)N2CCC(c3cc(Nc4ccccn4)cc(C)n3)CC2)c1 ZINC000257225176 568783479 /nfs/dbraw/zinc/78/34/79/568783479.db2.gz FFEQQBMCJAMPPX-UHFFFAOYSA-N 0 1 416.525 4.486 40 0 HIABMN O=C(CN1CCCCC1)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257310509 568807462 /nfs/dbraw/zinc/80/74/62/568807462.db2.gz UFIQSIRQGUJWMV-GOSISDBHSA-N 0 1 401.938 4.111 40 0 HIABMN Cc1cccc(N2CCC([N@@H+](CC(=O)[O-])Cc3ccc4c(c3)CC(C)(C)O4)CC2)c1 ZINC000257341459 568816494 /nfs/dbraw/zinc/81/64/94/568816494.db2.gz ZKKNWFSPLCWFOM-UHFFFAOYSA-N 0 1 408.542 4.264 40 0 HIABMN COc1cccc(N2CCC([N@@H+](CCC(=O)[O-])Cc3cccc(Cl)c3)CC2)c1 ZINC000257342993 568817099 /nfs/dbraw/zinc/81/70/99/568817099.db2.gz ZQZFQKHJZYGUKS-UHFFFAOYSA-N 0 1 402.922 4.294 40 0 HIABMN Oc1c(Cl)cc(Nc2cc(C(F)(F)F)nc(NC3CCCC3)n2)cc1Cl ZINC000329031758 568973755 /nfs/dbraw/zinc/97/37/55/568973755.db2.gz QLBBNBDDJHURFE-UHFFFAOYSA-N 0 1 407.223 4.450 40 0 HIABMN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000100122161 569012075 /nfs/dbraw/zinc/01/20/75/569012075.db2.gz VDZXUDRJEAQYRU-VABKMULXSA-N 0 1 414.461 4.055 40 0 HIABMN CCOc1ccc(-c2n[nH]c(-c3ccc(I)cc3)n2)cc1OC ZINC000085384383 569071754 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ZINC000257295837 568803098 /nfs/dbraw/zinc/80/30/98/568803098.db2.gz RACHLEKDPQNLIU-BLKABHOGSA-N 0 1 423.509 4.372 40 0 HIABMN CN(CCCC(=O)N1CCC[C@H]1c1nnc(Cc2ccc(F)cc2)[nH]1)c1ccccc1 ZINC000257332679 568813933 /nfs/dbraw/zinc/81/39/33/568813933.db2.gz XYFWRQCNLDMFLJ-NRFANRHFSA-N 0 1 421.520 4.115 40 0 HIABMN CN(CCCC(=O)N1CCC[C@H]1c1n[nH]c(Cc2ccc(F)cc2)n1)c1ccccc1 ZINC000257332679 568813935 /nfs/dbraw/zinc/81/39/35/568813935.db2.gz XYFWRQCNLDMFLJ-NRFANRHFSA-N 0 1 421.520 4.115 40 0 HIABMN Cc1cc(C)c(C)c(OC[C@@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000026780603 568831360 /nfs/dbraw/zinc/83/13/60/568831360.db2.gz FINWJXUZMCCZPH-NRFANRHFSA-N 0 1 422.491 4.193 40 0 HIABMN COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCCN(Cc4cccnc4)C3)nn2c1 ZINC000306134620 568896547 /nfs/dbraw/zinc/89/65/47/568896547.db2.gz NTROLERIIWCZLO-LJQANCHMSA-N 0 1 417.488 4.319 40 0 HIABMN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000245318935 569314086 /nfs/dbraw/zinc/31/40/86/569314086.db2.gz XPZYNXNJVXSWRE-HWHRFOGPSA-N 0 1 409.014 4.300 40 0 HIABMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000007468840 569337579 /nfs/dbraw/zinc/33/75/79/569337579.db2.gz DJAMFSOVDNCGPV-YBFXNURJSA-N 0 1 411.889 4.152 40 0 HIABMN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)cc1Br ZINC000007472723 569337640 /nfs/dbraw/zinc/33/76/40/569337640.db2.gz UHFQOSWNSLWWNG-UHFFFAOYSA-N 0 1 403.305 4.273 40 0 HIABMN O=C(NCCSCc1ccccc1F)C1CCN(Cc2ccccc2F)CC1 ZINC000009062714 569342237 /nfs/dbraw/zinc/34/22/37/569342237.db2.gz HRZKLEDIKSRCPS-UHFFFAOYSA-N 0 1 404.526 4.226 40 0 HIABMN CCOc1ccc(CNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1OCC ZINC000009062702 569342284 /nfs/dbraw/zinc/34/22/84/569342284.db2.gz BLSCWHPWHWJVCA-UHFFFAOYSA-N 0 1 414.521 4.152 40 0 HIABMN CCn1c(CN2CC[C@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)nc2ccccc21 ZINC000019704536 569347704 /nfs/dbraw/zinc/34/77/04/569347704.db2.gz QLIIUPSJZWAARZ-KRWDZBQOSA-N 0 1 419.504 4.487 40 0 HIABMN Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](CCC(=O)[O-])C[C@H]2CCCO2)cc1 ZINC000072238826 571304266 /nfs/dbraw/zinc/30/42/66/571304266.db2.gz JMYQRAUZDPVJMQ-HSZRJFAPSA-N 0 1 419.525 4.303 40 0 HIABMN Cc1ccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000015676068 291268081 /nfs/dbraw/zinc/26/80/81/291268081.db2.gz BQOPLRVJZOENDM-IBGZPJMESA-N 0 1 418.432 4.239 40 0 biogenic,in-vitro HIABMN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000042675258 525265246 /nfs/dbraw/zinc/26/52/46/525265246.db2.gz VGGRUHPJMAWZGS-UHFFFAOYSA-N 0 1 419.549 4.042 40 0 HIABMN Cc1ccccc1OC[C@H](C)NC(=O)C1CCN(Cc2ccccc2Cl)CC1 ZINC000044852558 525309721 /nfs/dbraw/zinc/30/97/21/525309721.db2.gz PHYBJJNKUCWLAG-SFHVURJKSA-N 0 1 400.950 4.444 40 0 HIABMN COc1cc(O)c2c(c1)oc(-c1ccc(OCc3ccccc3)c(O)c1)c(O)c2=O ZINC000003843067 557500005 /nfs/dbraw/zinc/50/00/05/557500005.db2.gz MCNMWIQINZVGRR-UHFFFAOYSA-N 0 1 406.390 4.164 40 0 HIABMN Cc1cccc(C)c1OCC(=O)N1CCC[C@@H](c2ccc3c(n[nH]c3NC(C)C)n2)C1 ZINC000019742257 558262763 /nfs/dbraw/zinc/26/27/63/558262763.db2.gz PMRUGCRMJYYCER-GOSISDBHSA-N 0 1 421.545 4.180 40 0 HIABMN Cc1cccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000019927877 558308364 /nfs/dbraw/zinc/30/83/64/558308364.db2.gz SYERDLRICLTZFY-UHFFFAOYSA-N 0 1 403.305 4.273 40 0 HIABMN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)c3cc(C(C)C)[nH]n3)cc2n1 ZINC000012087922 558322661 /nfs/dbraw/zinc/32/26/61/558322661.db2.gz NOJIDWSTMNJTQX-INIZCTEOSA-N 0 1 420.439 4.270 40 0 HIABMN COc1ccc(C2(C(=O)N3CCC[C@@H]3c3n[nH]c(-c4ccncc4)n3)CCCC2)cc1 ZINC000012115801 558328161 /nfs/dbraw/zinc/32/81/61/558328161.db2.gz CJWYHMPSNRUXEC-HXUWFJFHSA-N 0 1 417.513 4.051 40 0 HIABMN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2cnn(Cc3ccccc3)c2C)CC1 ZINC000012344226 558386220 /nfs/dbraw/zinc/38/62/20/558386220.db2.gz BCBBCPJSDQLODY-UHFFFAOYSA-N 0 1 420.532 4.006 40 0 HIABMN COc1ccccc1C1(O)CCN(Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC000012344528 558386474 /nfs/dbraw/zinc/38/64/74/558386474.db2.gz WRRDNRMWOUXSBG-UHFFFAOYSA-N 0 1 409.505 4.120 40 0 HIABMN O=C(CCSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000022516191 558493997 /nfs/dbraw/zinc/49/39/97/558493997.db2.gz FJYIYMPYCUNEKZ-UHFFFAOYSA-N 0 1 413.524 4.003 40 0 HIABMN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000030864148 558742196 /nfs/dbraw/zinc/74/21/96/558742196.db2.gz JCUYZDFUVOPQJO-LFYBBSHMSA-N 0 1 413.886 4.188 40 0 HIABMN COc1cccc([C@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000100934740 558810764 /nfs/dbraw/zinc/81/07/64/558810764.db2.gz WSIPDBWUZFVXNM-VABKMULXSA-N 0 1 414.461 4.055 40 0 HIABMN Cc1nc(C)n(C[C@H](C)C(=O)Nc2ccc(CCc3nc4ccc(C)cc4[nH]3)cc2)n1 ZINC000019221538 558852003 /nfs/dbraw/zinc/85/20/03/558852003.db2.gz KTHQTSCOZCRTOQ-INIZCTEOSA-N 0 1 416.529 4.140 40 0 HIABMN Cc1cccc(C2(CNC(=O)CCc3nc4cc(C)cc(C)c4[nH]3)CCOCC2)c1 ZINC000019234540 558853882 /nfs/dbraw/zinc/85/38/82/558853882.db2.gz MSJPWSSASYSISQ-UHFFFAOYSA-N 0 1 405.542 4.285 40 0 HIABMN COc1ccc(C(=O)N2CCCC[C@H]2c2n[nH]cc2-c2onc(C)c2C)c(OC)c1 ZINC000019557882 558919837 /nfs/dbraw/zinc/91/98/37/558919837.db2.gz DFYQHWODQOSFPD-SFHVURJKSA-N 0 1 410.474 4.066 40 0 HIABMN COc1cccc(OC)c1C(=O)N1CCCC[C@@H]1c1n[nH]cc1-c1onc(C)c1C ZINC000019557873 558919843 /nfs/dbraw/zinc/91/98/43/558919843.db2.gz GXJPWGFLINGDIV-MRXNPFEDSA-N 0 1 410.474 4.066 40 0 HIABMN CN1CCN(c2cc(NC(=O)c3ccc(Cl)cc3Cl)c(Cl)cc2N)CC1 ZINC000072229432 558932061 /nfs/dbraw/zinc/93/20/61/558932061.db2.gz KIENIDOZQSLBBT-UHFFFAOYSA-N 0 1 413.736 4.233 40 0 HIABMN COc1ccccc1CN1CCC[C@@H]([C@H](NC(=O)C2CCCC2)c2nccs2)C1 ZINC000072341421 558939742 /nfs/dbraw/zinc/93/97/42/558939742.db2.gz OPTZURDZBWXKDN-CTNGQTDRSA-N 0 1 413.587 4.411 40 0 HIABMN CCc1ncc(CN2CCC[C@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)cn1 ZINC000072346222 558943046 /nfs/dbraw/zinc/94/30/46/558943046.db2.gz HZMCGMVZNIFOKY-KRWDZBQOSA-N 0 1 408.937 4.111 40 0 HIABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)c2cc3cc(C)ccc3n2C)cc1 ZINC000019655368 558948607 /nfs/dbraw/zinc/94/86/07/558948607.db2.gz QROSTFDPTIHZKZ-QHCPKHFHSA-N 0 1 400.482 4.006 40 0 HIABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)c2cc(-c3cccc(F)c3)no2)cc1 ZINC000019666762 558956473 /nfs/dbraw/zinc/95/64/73/558956473.db2.gz KCPZBHNWEJZBAE-QFIPXVFZSA-N 0 1 418.428 4.000 40 0 HIABMN Cc1nnc([N-]c2cncc([C@H]3CCC[N@@H+]3Cc3ccc4c(c3)CC(C)(C)O4)n2)s1 ZINC000072376404 558965649 /nfs/dbraw/zinc/96/56/49/558965649.db2.gz KHHGXWWPZWFFIE-GOSISDBHSA-N 0 1 422.558 4.431 40 0 HIABMN Cc1nnc([N-]c2cncc([C@H]3CCC[N@H+]3Cc3ccc4c(c3)CC(C)(C)O4)n2)s1 ZINC000072376404 558965651 /nfs/dbraw/zinc/96/56/51/558965651.db2.gz KHHGXWWPZWFFIE-GOSISDBHSA-N 0 1 422.558 4.431 40 0 HIABMN CCOC(=O)[C@@]1(Cc2cc(-c3ccc(F)cc3)no2)CCCN(Cc2ccncc2)C1 ZINC000072394031 558973317 /nfs/dbraw/zinc/97/33/17/558973317.db2.gz CJDHMNRHOPEJQC-XMMPIXPASA-N 0 1 423.488 4.264 40 0 HIABMN Cc1ccc2nc(C3CCN(C(=O)CC[C@@H]4c5ccccc5NC4=O)CC3)[nH]c2c1 ZINC000019714405 558974115 /nfs/dbraw/zinc/97/41/15/558974115.db2.gz DWNUEYKIPNOXLB-GOSISDBHSA-N 0 1 402.498 4.093 40 0 HIABMN Cc1cc(O[C@@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc(C)c1Cl ZINC000111894593 559178147 /nfs/dbraw/zinc/17/81/47/559178147.db2.gz MPVGJZPDPPCGMX-KRWDZBQOSA-N 0 1 401.938 4.115 40 0 HIABMN COC(=O)c1cc2[nH]c(-c3ccc(I)cc3)nc2c(Cl)c1 ZINC000226344380 559273444 /nfs/dbraw/zinc/27/34/44/559273444.db2.gz HVTQHOSHXANKLC-UHFFFAOYSA-N 0 1 412.614 4.275 40 0 HIABMN CN1CCC[C@@H](NC(=O)C2(Cc3cccc(-c4ccc(F)cc4)c3)CCOCC2)C1 ZINC000257301717 559286060 /nfs/dbraw/zinc/28/60/60/559286060.db2.gz RZPWFQGHJMPIBB-HSZRJFAPSA-N 0 1 410.533 4.042 40 0 HIABMN CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000514289838 560031767 /nfs/dbraw/zinc/03/17/67/560031767.db2.gz PCYFZEUNANDUKK-VWNXMTODSA-N 0 1 420.459 4.349 40 0 biogenic,in-vitro HIABMN Cn1c2ccccc2nc1C[C@H]1C[N@@H+](CCCc2ccccc2)CC[C@H]1CC(=O)[O-] ZINC000514288833 560033780 /nfs/dbraw/zinc/03/37/80/560033780.db2.gz FWDAVIOTRUFHCW-SFTDATJTSA-N 0 1 405.542 4.161 40 0 biogenic,in-vitro HIABMN Cc1cccc(NC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)c1 ZINC000004895225 560611104 /nfs/dbraw/zinc/61/11/04/560611104.db2.gz ZLHZFAZCRHIZJF-UHFFFAOYSA-N 0 1 417.435 4.034 40 0 HIABMN O=C(CSc1nc(-c2ccccc2O)n[nH]1)Nc1nc(-c2ccccc2)cs1 ZINC000004953180 560617189 /nfs/dbraw/zinc/61/71/89/560617189.db2.gz YJSXUMLRCIRLOT-UHFFFAOYSA-N 0 1 409.496 4.032 40 0 HIABMN CC(=O)c1cccc(NS(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)c1 ZINC000006681682 560632366 /nfs/dbraw/zinc/63/23/66/560632366.db2.gz DCVLVGFZLGFZSW-UHFFFAOYSA-N 0 1 400.481 4.004 40 0 HIABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C)C3)ccc2Cl)c1 ZINC000010112558 560764186 /nfs/dbraw/zinc/76/41/86/560764186.db2.gz ZDKOCSNJOOPMGJ-OAHLLOKOSA-N 0 1 406.935 4.321 40 0 HIABMN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000135775404 560853708 /nfs/dbraw/zinc/85/37/08/560853708.db2.gz VDZXUDRJEAQYRU-RJGXRXQPSA-N 0 1 414.461 4.055 40 0 HIABMN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(C)cc2)cc1 ZINC000005157054 568441777 /nfs/dbraw/zinc/44/17/77/568441777.db2.gz QPJHFYHVBGKHGY-VJTSUQJLSA-N 0 1 408.542 4.310 40 0 HIABMN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc(C)cc2)cc1 ZINC000005157052 568441798 /nfs/dbraw/zinc/44/17/98/568441798.db2.gz QPJHFYHVBGKHGY-PZUNEJSGSA-N 0 1 408.542 4.310 40 0 HIABMN Cc1cccc(-c2noc(CNC(=O)C3CCN(Cc4ccccc4Cl)CC3)n2)c1 ZINC000219410204 568491365 /nfs/dbraw/zinc/49/13/65/568491365.db2.gz ILBPTCMPLMVVLO-UHFFFAOYSA-N 0 1 424.932 4.227 40 0 HIABMN CCOc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)CC)c3nccs3)C2)cc1OC ZINC000057773440 568497702 /nfs/dbraw/zinc/49/77/02/568497702.db2.gz HKGRMKDWBQAIJM-DYESRHJHSA-N 0 1 417.575 4.030 40 0 HIABMN CC(C)CSc1nnc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)s1 ZINC000223447497 568549058 /nfs/dbraw/zinc/54/90/58/568549058.db2.gz RORIIYQYAFWKPV-OAHLLOKOSA-N 0 1 408.568 4.276 40 0 HIABMN Cc1ccc(C)c(OCCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000224027995 568566916 /nfs/dbraw/zinc/56/69/16/568566916.db2.gz SAKYPEHOSZFHCV-UHFFFAOYSA-N 0 1 400.950 4.364 40 0 HIABMN COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3[nH]nc4ccccc43)C2)o1 ZINC000257212995 568779808 /nfs/dbraw/zinc/77/98/08/568779808.db2.gz CFTHIIGXIPTJRU-QGZVFWFLSA-N 0 1 416.481 4.170 40 0 HIABMN Cc1nc([C@H]2CCCN(Cc3ccccc3F)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257214571 568780377 /nfs/dbraw/zinc/78/03/77/568780377.db2.gz CMMRCOSKAASDQU-NRFANRHFSA-N 0 1 424.564 4.167 40 0 HIABMN O=C([O-])C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(c2ccc(F)cc2)CC1 ZINC000257232451 568785465 /nfs/dbraw/zinc/78/54/65/568785465.db2.gz GKXCONWQPZRKMP-UHFFFAOYSA-N 0 1 410.411 4.400 40 0 HIABMN COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)c4cc(C(C)C)[nH]n4)C3)o2)c1 ZINC000257236535 568786473 /nfs/dbraw/zinc/78/64/73/568786473.db2.gz HCPPCUQJJLGBHZ-KRWDZBQOSA-N 0 1 408.502 4.140 40 0 HIABMN COc1ccc(-c2noc([C@H]3CCN(Cc4cc5c(cc4Cl)OCO5)C3)n2)cc1 ZINC000257241301 568787930 /nfs/dbraw/zinc/78/79/30/568787930.db2.gz HXOBVYYKNZLBOW-AWEZNQCLSA-N 0 1 413.861 4.117 40 0 HIABMN CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CC[N@@H+](Cc4ccccc4C(=O)[O-])C[C@@H]3C[C@@H]21 ZINC000257255526 568791688 /nfs/dbraw/zinc/79/16/88/568791688.db2.gz 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CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101060682 558826277 /nfs/dbraw/zinc/82/62/77/558826277.db2.gz DMWYOYUUWMQWHL-VJBWXMMDSA-N 0 1 416.452 4.439 40 0 HIABMN COc1ccc(C)cc1CN1CCC[C@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 ZINC000019133468 558845749 /nfs/dbraw/zinc/84/57/49/558845749.db2.gz FLFXLRFQWQQBGS-IBGZPJMESA-N 0 1 407.518 4.160 40 0 HIABMN Fc1cccc(CN2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1F ZINC000019292724 558864439 /nfs/dbraw/zinc/86/44/39/558864439.db2.gz SOXWDZIRXNEAJQ-KRWDZBQOSA-N 0 1 424.499 4.125 40 0 HIABMN CCCN1CCN(Cc2cccnc2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502841 558900132 /nfs/dbraw/zinc/90/01/32/558900132.db2.gz YYKHHWLXFPRUQC-VWLOTQADSA-N 0 1 414.553 4.057 40 0 HIABMN Cc1noc2nc(C3CCN(C(=O)c4cc(C(C)C)[nH]n4)CC3)cc(C(F)(F)F)c12 ZINC000019564853 558924890 /nfs/dbraw/zinc/92/48/90/558924890.db2.gz QUWBXNUQPXVEMG-UHFFFAOYSA-N 0 1 421.423 4.416 40 0 HIABMN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000019568760 558927877 /nfs/dbraw/zinc/92/78/77/558927877.db2.gz MONDYZPRKGIDOW-GFCCVEGCSA-N 0 1 421.423 4.416 40 0 HIABMN COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)C3CCCC3)c3nccs3)C2)cc1 ZINC000072341425 558939755 /nfs/dbraw/zinc/93/97/55/558939755.db2.gz KKFFWSRPMWWKBY-CTNGQTDRSA-N 0 1 413.587 4.411 40 0 HIABMN CNc1cc([C@@H]2CCCN(Cc3ccc(OC)cc3F)C2)nc(-c2ccncc2)n1 ZINC000019592274 558943315 /nfs/dbraw/zinc/94/33/15/558943315.db2.gz UXJRNIUVDZRHBR-GOSISDBHSA-N 0 1 407.493 4.108 40 0 HIABMN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCCCC1)c1ccc(-n2cnnc2)cc1 ZINC000019659334 558950965 /nfs/dbraw/zinc/95/09/65/558950965.db2.gz UHGDRAUICDQVQY-JOCHJYFZSA-N 0 1 423.948 4.268 40 0 HIABMN CCn1nc([C@@H](C)C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)c2ccccc2c1=O ZINC000019660596 558951698 /nfs/dbraw/zinc/95/16/98/558951698.db2.gz LYOWIBIKWIKIJW-CQSZACIVSA-N 0 1 417.513 4.332 40 0 HIABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)c2cc3c(c(C)ccc3C)n2C)cc1 ZINC000019663319 558954258 /nfs/dbraw/zinc/95/42/58/558954258.db2.gz QDNAXKHBRFICCO-DEOSSOPVSA-N 0 1 414.509 4.315 40 0 HIABMN CN(C)[C@H](CNC(=O)c1cc(-n2cccn2)ccc1Cl)c1cccc(Cl)c1 ZINC000019664997 558955385 /nfs/dbraw/zinc/95/53/85/558955385.db2.gz QHNFBHDQJBWRAY-LJQANCHMSA-N 0 1 403.313 4.212 40 0 HIABMN COc1cccc(-c2noc([C@@H]3CCN(Cc4cc5c(cc4Cl)OCO5)C3)n2)c1 ZINC000072369895 558956160 /nfs/dbraw/zinc/95/61/60/558956160.db2.gz LJMUMBJHJBJRDW-CQSZACIVSA-N 0 1 413.861 4.117 40 0 HIABMN Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 ZINC000072374918 558963294 /nfs/dbraw/zinc/96/32/94/558963294.db2.gz WHIFVUSJHPELAC-SFHVURJKSA-N 0 1 405.477 4.011 40 0 HIABMN COc1cc2c(cc1CN1CCC[C@H]1c1cccc(Nc3cnccn3)n1)CCC2 ZINC000072375524 558964261 /nfs/dbraw/zinc/96/42/61/558964261.db2.gz LGSMUTCWOULUDN-NRFANRHFSA-N 0 1 401.514 4.450 40 0 HIABMN COc1ccc2c(CN3CCC[C@@H]3c3cncc(Nc4ccccn4)n3)cn(C)c2c1 ZINC000072376407 558965502 /nfs/dbraw/zinc/96/55/02/558965502.db2.gz CTSPLHJDSMGYGF-OAQYLSRUSA-N 0 1 414.513 4.453 40 0 HIABMN CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3C)no2)CCCN(Cc2cccnc2)C1 ZINC000072394043 558973207 /nfs/dbraw/zinc/97/32/07/558973207.db2.gz GLUTZJUMVBXZNV-RUZDIDTESA-N 0 1 419.525 4.433 40 0 HIABMN Cc1nccn1[C@@H](C(=O)N1CCC(c2nc3ccc(C)cc3[nH]2)CC1)c1ccccc1 ZINC000019718822 558982396 /nfs/dbraw/zinc/98/23/96/558982396.db2.gz KGSNMXOZPGINTA-HSZRJFAPSA-N 0 1 413.525 4.372 40 0 HIABMN COc1cccc(CN2C[C@@H]3CN(C(=O)[C@@H]4C[C@@H]4c4ccc(Cl)cc4)CC[C@H]32)c1 ZINC000585108013 559029781 /nfs/dbraw/zinc/02/97/81/559029781.db2.gz VQXUBBLJQLLBSV-JBJBFBLISA-N 0 1 410.945 4.185 40 0 HIABMN O=C(C[C@H]1CC2(CCN(Cc3cccnc3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053396 559093320 /nfs/dbraw/zinc/09/33/20/559093320.db2.gz IGZCXDRSPQJABV-FQEVSTJZSA-N 0 1 405.542 4.041 40 0 HIABMN CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3ccncc3)CC2)Oc2ccccc21 ZINC000096053480 559093529 /nfs/dbraw/zinc/09/35/29/559093529.db2.gz MVRXNGFMMWXHDR-OAQYLSRUSA-N 0 1 407.558 4.241 40 0 HIABMN COc1cccc(-c2nn(CC3CC3)c3c2[C@H]2CN(Cc4nccs4)C[C@H]2C3)c1 ZINC000096145664 559097412 /nfs/dbraw/zinc/09/74/12/559097412.db2.gz PPKXERITHVZSOW-MJGOQNOKSA-N 0 1 406.555 4.197 40 0 HIABMN CC[C@@H](C)CN1CCO[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000585270538 559116500 /nfs/dbraw/zinc/11/65/00/559116500.db2.gz ZBRNOIREPPJJRK-XXBNENTESA-N 0 1 422.997 4.239 40 0 HIABMN CN1CCC[C@H](NC(=O)C2(Cc3cccc(-c4ccc(F)cc4)c3)CCOCC2)C1 ZINC000257301718 559286049 /nfs/dbraw/zinc/28/60/49/559286049.db2.gz RZPWFQGHJMPIBB-QHCPKHFHSA-N 0 1 410.533 4.042 40 0 HIABMN COc1cccc(CN2CC[C@@](C)(O)[C@@H](NC(=O)C3CCCC3)[C@@H]2c2ccccc2)c1 ZINC000514289931 560031452 /nfs/dbraw/zinc/03/14/52/560031452.db2.gz OPBNGPDDNDPFDF-KYPHJKQUSA-N 0 1 422.569 4.068 40 0 biogenic,in-vitro HIABMN C[C@@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc2c(c1)OCCO2 ZINC000222716045 568524619 /nfs/dbraw/zinc/52/46/19/568524619.db2.gz MJXJRXTZSHUKRT-MRXNPFEDSA-N 0 1 414.933 4.201 40 0 HIABMN O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2o1 ZINC000223327448 568545378 /nfs/dbraw/zinc/54/53/78/568545378.db2.gz KCDJCJZEJHGCJL-UHFFFAOYSA-N 0 1 416.842 4.368 40 0 HIABMN O=C(NCC1CCCCC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000223955924 568564365 /nfs/dbraw/zinc/56/43/65/568564365.db2.gz ZXUJHWZRBFHSPZ-UHFFFAOYSA-N 0 1 406.935 4.451 40 0 HIABMN Cn1c(=O)sc2cc(NC(=O)C3CCN(Cc4cccc(Cl)c4)CC3)ccc21 ZINC000225055656 568611592 /nfs/dbraw/zinc/61/15/92/568611592.db2.gz QNJVNWSWNXASHP-UHFFFAOYSA-N 0 1 415.946 4.104 40 0 HIABMN CCOc1ccc([C@H](N)c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)cc1OCC ZINC000095534574 568635897 /nfs/dbraw/zinc/63/58/97/568635897.db2.gz MVHQSSZRRMJNNZ-KRWDZBQOSA-N 0 1 406.408 4.336 40 0 HIABMN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000225641615 568659535 /nfs/dbraw/zinc/65/95/35/568659535.db2.gz AZKHDLDAKYQTOB-DEOSSOPVSA-N 0 1 407.558 4.113 40 0 HIABMN COc1cccc2c1OC1(CCN(Cc3scnc3C)CC1)[C@H]1CCCO[C@H]21 ZINC000257216793 568781001 /nfs/dbraw/zinc/78/10/01/568781001.db2.gz CWCBXTGHGOZWGS-FXAWDEMLSA-N 0 1 400.544 4.355 40 0 HIABMN Cc1cccc(CC(=O)N2CCC(c3[nH]ncc3C(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)c1 ZINC000257260597 568793127 /nfs/dbraw/zinc/79/31/27/568793127.db2.gz LDNCFSKIAHYMES-OALUTQOASA-N 0 1 422.573 4.070 40 0 HIABMN CCCCc1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)n[nH]1 ZINC000257264641 568794055 /nfs/dbraw/zinc/79/40/55/568794055.db2.gz LVKDXIMVALUANF-KRWDZBQOSA-N 0 1 410.493 4.490 40 0 HIABMN Cc1ccc2n[nH]c(C(=O)N3CCC(c4cccc(Nc5ccccn5)n4)CC3)c2c1 ZINC000257283050 568799357 /nfs/dbraw/zinc/79/93/57/568799357.db2.gz OWONECPBCKODMJ-UHFFFAOYSA-N 0 1 412.497 4.425 40 0 HIABMN Fc1ccccc1OCCc1cc([C@@H]2CN(CCCc3ccccc3)CCO2)n[nH]1 ZINC000257318431 568809880 /nfs/dbraw/zinc/80/98/80/568809880.db2.gz VNWLYFDSZPOGMW-DEOSSOPVSA-N 0 1 409.505 4.176 40 0 HIABMN Fc1ccc(-c2cnc3ncn(C4CCN(Cc5ccc(F)c(F)c5)CC4)c3n2)cn1 ZINC000306139496 568901415 /nfs/dbraw/zinc/90/14/15/568901415.db2.gz SYUIPITUZOJSHF-UHFFFAOYSA-N 0 1 424.430 4.143 40 0 HIABMN O=C([O-])/C=C/[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000104489696 569024927 /nfs/dbraw/zinc/02/49/27/569024927.db2.gz BWIXUWQSMPZABO-CHHLAKQQSA-N 0 1 421.472 4.258 40 0 HIABMN CC[C@@H](OC[C@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1)c1ccccc1 ZINC000026781623 569025666 /nfs/dbraw/zinc/02/56/66/569025666.db2.gz XDGHMINXQDHNKB-FYYLOGMGSA-N 0 1 402.966 4.299 40 0 HIABMN CC1(C)[C@H](OC[C@H](O)CN2CCN(Cc3ccc(Cl)cc3)CC2)[C@]2(C)CC[C@H]1C2 ZINC000245229179 569313760 /nfs/dbraw/zinc/31/37/60/569313760.db2.gz PRFWJKBNPGNZOH-AYEXWZOKSA-N 0 1 421.025 4.050 40 0 HIABMN CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)[C@@H]4CC=CCC4)[n-]c(=O)c3C2)CC1 ZINC000248121638 569316388 /nfs/dbraw/zinc/31/63/88/569316388.db2.gz SDETYPROWHVNFW-PJEKJXDBSA-N 0 1 424.589 4.139 40 0 HIABMN CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)[C@@H]4CC=CCC4)[n-]c(=O)c3C2)CC1 ZINC000248121638 569316390 /nfs/dbraw/zinc/31/63/90/569316390.db2.gz SDETYPROWHVNFW-PJEKJXDBSA-N 0 1 424.589 4.139 40 0 HIABMN COc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)C3CCC3)c3ccccn3)C2)c1F ZINC000019567153 569345623 /nfs/dbraw/zinc/34/56/23/569345623.db2.gz OPOBWJKZYGNXNO-AUSIDOKSSA-N 0 1 411.521 4.099 40 0 HIABMN COc1ccccc1CNc1[nH]nc2nc([C@H]3CCN(C(=O)C4CCCC4)C3)ccc21 ZINC000019704971 569347761 /nfs/dbraw/zinc/34/77/61/569347761.db2.gz VFHLWMPMWTZRAD-SFHVURJKSA-N 0 1 419.529 4.085 40 0 HIABMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OC ZINC000033794685 569351387 /nfs/dbraw/zinc/35/13/87/569351387.db2.gz PVQOLLHGZIFCFG-SFQUDFHCSA-N 0 1 410.495 4.328 40 0 HIABMN Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]2ON1c1ccccc1 ZINC000017863032 569366558 /nfs/dbraw/zinc/36/65/58/569366558.db2.gz VKESDKZNHVDEML-FSSWDIPSSA-N 0 1 402.425 4.185 40 0 HIABMN CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3CN(C)c2ccccc2)c1 ZINC000008635710 291267505 /nfs/dbraw/zinc/26/75/05/291267505.db2.gz ZNVZYRGDFZIKFP-CNNODRBYSA-N 0 1 424.614 4.377 40 0 biogenic,in-vitro HIABMN Cc1onc(C(C)C)c1C(=O)N1CCC[C@H](c2cc(Nc3ncccn3)cc(C)n2)C1 ZINC000072374984 526855394 /nfs/dbraw/zinc/85/53/94/526855394.db2.gz IEEUFDJNEXOYTA-KRWDZBQOSA-N 0 1 420.517 4.363 40 0 HIABMN O=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccccc2F)C1)c1ccccn1 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biogenic,in-vitro HIABMN Cc1ccc2nc(C[C@H]3C[N@@H+](CCCc4ccccc4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289422 560032447 /nfs/dbraw/zinc/03/24/47/560032447.db2.gz SSILYJNJNZSLEU-SFTDATJTSA-N 0 1 405.542 4.459 40 0 biogenic,in-vitro HIABMN COc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000409044268 560669327 /nfs/dbraw/zinc/66/93/27/560669327.db2.gz VCTKNXHJXLNYCQ-VCHYOVAHSA-N 0 1 408.841 4.261 40 0 HIABMN CCOc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccccc1 ZINC000102741490 560731887 /nfs/dbraw/zinc/73/18/87/560731887.db2.gz HEPOAYPHPZOHIU-XPWALMASSA-N 0 1 414.461 4.136 40 0 HIABMN CCOc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102741490 560731888 /nfs/dbraw/zinc/73/18/88/560731888.db2.gz HEPOAYPHPZOHIU-XPWALMASSA-N 0 1 414.461 4.136 40 0 HIABMN COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102706666 560732072 /nfs/dbraw/zinc/73/20/72/560732072.db2.gz WSIPDBWUZFVXNM-XPWALMASSA-N 0 1 414.461 4.055 40 0 HIABMN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c(C)c1 ZINC000010112351 560764012 /nfs/dbraw/zinc/76/40/12/560764012.db2.gz FPRXTABTQZOXDC-UHFFFAOYSA-N 0 1 418.298 4.288 40 0 HIABMN CCOc1ccc(CN2CCC[C@@H]([C@H](NC(=O)CC)c3nccs3)C2)cc1OC ZINC000057773443 568497710 /nfs/dbraw/zinc/49/77/10/568497710.db2.gz HKGRMKDWBQAIJM-UTKZUKDTSA-N 0 1 417.575 4.030 40 0 HIABMN CCn1c2cc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3C)cc2oc1=O ZINC000223363138 568546469 /nfs/dbraw/zinc/54/64/69/568546469.db2.gz JUFBWZPAOZXKAK-UHFFFAOYSA-N 0 1 401.271 4.030 40 0 HIABMN COc1cc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c(OC)cc1Cl ZINC000223667272 568555508 /nfs/dbraw/zinc/55/55/08/568555508.db2.gz ZGRONEHFARKEKP-UHFFFAOYSA-N 0 1 411.907 4.262 40 0 HIABMN O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000225006769 568608585 /nfs/dbraw/zinc/60/85/85/568608585.db2.gz REIFHGLMIGVXQH-UHFFFAOYSA-N 0 1 413.949 4.027 40 0 HIABMN CNc1ncccc1CN1CCCC[C@@H]1c1ccc(-c2ccc(C(N)=O)cc2)nc1 ZINC000257213491 568779946 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4.299 40 0 HIABMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1cc(C)ccc1C ZINC000007468870 569337673 /nfs/dbraw/zinc/33/76/73/569337673.db2.gz GUQGKHROPZUIGQ-DEDYPNTBSA-N 0 1 405.498 4.115 40 0 HIABMN CCN(CC)C(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2F)CC1 ZINC000009063544 569342457 /nfs/dbraw/zinc/34/24/57/569342457.db2.gz USXUMEPOUGVFPL-UHFFFAOYSA-N 0 1 411.521 4.158 40 0 HIABMN O=C(c1c[nH]c2ccccc2c1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000032641337 569350421 /nfs/dbraw/zinc/35/04/21/569350421.db2.gz RDMGMYVUHUNEDC-UHFFFAOYSA-N 0 1 423.516 4.076 40 0 HIABMN Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](CCC(=O)[O-])C[C@@H]2CCCO2)cc1 ZINC000072238825 571304324 /nfs/dbraw/zinc/30/43/24/571304324.db2.gz JMYQRAUZDPVJMQ-QHCPKHFHSA-N 0 1 419.525 4.303 40 0 HIABMN CCc1cc(N2CCc3cc(Br)ccc3C2)nc(NCc2ccccc2)n1 ZINC000328995127 571309734 /nfs/dbraw/zinc/30/97/34/571309734.db2.gz JGFGDXMHGXVQEU-UHFFFAOYSA-N 0 1 423.358 4.976 40 0 HIABMN O=C(Nc1ccccc1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000015675870 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ZINC000012330686 558385429 /nfs/dbraw/zinc/38/54/29/558385429.db2.gz MXFMGTZDQWNMJO-UHFFFAOYSA-N 0 1 405.542 4.290 40 0 HIABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000015437519 558739997 /nfs/dbraw/zinc/73/99/97/558739997.db2.gz YMEACCOOWRCVFA-UHFFFAOYSA-N 0 1 410.495 4.067 40 0 HIABMN COc1ccc(C)cc1CN1CCC[C@@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 ZINC000019133465 558845798 /nfs/dbraw/zinc/84/57/98/558845798.db2.gz FLFXLRFQWQQBGS-LJQANCHMSA-N 0 1 407.518 4.160 40 0 HIABMN Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000019236846 558856029 /nfs/dbraw/zinc/85/60/29/558856029.db2.gz LXFLZVAOCGTPQK-HYBUGGRVSA-N 0 1 400.526 4.168 40 0 HIABMN Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccccn2)C1 ZINC000019236847 558856156 /nfs/dbraw/zinc/85/61/56/558856156.db2.gz LXFLZVAOCGTPQK-RDPSFJRHSA-N 0 1 400.526 4.168 40 0 HIABMN O=c1cc([C@@H]2CCN(Cc3cccc(Cl)c3Cl)C2)nc(-c2ccncc2)[nH]1 ZINC000019292612 558864428 /nfs/dbraw/zinc/86/44/28/558864428.db2.gz WUTCATSAZACOIB-CQSZACIVSA-N 0 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biogenic,in-vitro HIABMN CCCN1C(=O)c2n[nH]c(-c3ccc(OCC)cc3)c2[C@H]1c1ccc(OC)cc1OC ZINC000004909866 560618156 /nfs/dbraw/zinc/61/81/56/560618156.db2.gz ZKVHQXXZHSYBOX-HSZRJFAPSA-N 0 1 421.497 4.448 40 0 HIABMN Cc1ccc(CNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000408825421 560645687 /nfs/dbraw/zinc/64/56/87/560645687.db2.gz AJZXFVBPZQKDEP-UHFFFAOYSA-N 0 1 413.565 4.243 40 0 HIABMN C=C1N=C(SCCCC)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408990500 560662156 /nfs/dbraw/zinc/66/21/56/560662156.db2.gz NJCRUWCSPAXHFZ-SFHVURJKSA-N 0 1 422.547 4.083 40 0 HIABMN C=C1N=C(SCC(=O)Nc2ccccc2C)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000408994407 560663177 /nfs/dbraw/zinc/66/31/77/560663177.db2.gz ZMKPREXCMUABJB-NRFANRHFSA-N 0 1 423.538 4.204 40 0 HIABMN O=C(c1ccc(CN2CCN(c3ccccc3)CC2)cc1)N1CCc2ccccc2C1 ZINC000409184991 560688931 /nfs/dbraw/zinc/68/89/31/560688931.db2.gz JBCSMVCAJCQPEL-UHFFFAOYSA-N 0 1 411.549 4.207 40 0 HIABMN COc1ccc(NC(=S)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c(OC)c1 ZINC000013556093 560815738 /nfs/dbraw/zinc/81/57/38/560815738.db2.gz YOVDCXKFFBPYCO-OAHLLOKOSA-N 0 1 410.543 4.465 40 0 HIABMN COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102861367 560852830 /nfs/dbraw/zinc/85/28/30/560852830.db2.gz KKYZGWYOTCYEST-XPWALMASSA-N 0 1 414.461 4.055 40 0 HIABMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000016130161 560859801 /nfs/dbraw/zinc/85/98/01/560859801.db2.gz ZICCGOSXCWQVER-UHFFFAOYSA-N 0 1 410.211 4.277 40 0 HIABMN Cc1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)c1Cc1ccc(C(C)C)cc1 ZINC000054435414 560897912 /nfs/dbraw/zinc/89/79/12/560897912.db2.gz RGOFKGUKHYLOEI-UHFFFAOYSA-N 0 1 416.569 4.115 40 0 HIABMN Cc1cccc(-c2noc(CNC(=O)C3CCN(Cc4cccc(Cl)c4)CC3)n2)c1 ZINC000219411844 568491565 /nfs/dbraw/zinc/49/15/65/568491565.db2.gz OLWJQSJPAVJGEV-UHFFFAOYSA-N 0 1 424.932 4.227 40 0 HIABMN CCOC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(C)c2C)sc2c1CCCC2 ZINC000222887779 568529669 /nfs/dbraw/zinc/52/96/69/568529669.db2.gz IWKSZMRLXGLKKC-UHFFFAOYSA-N 0 1 423.556 4.230 40 0 HIABMN CC(C)c1ccc(-c2noc(CNS(=O)(=O)Cc3c(F)cccc3Cl)n2)cc1 ZINC000223632044 568554117 /nfs/dbraw/zinc/55/41/17/568554117.db2.gz UXOAOOIUJJWUJM-UHFFFAOYSA-N 0 1 423.897 4.272 40 0 HIABMN COc1ccc2cc(S(=O)(=O)Nc3cc(OC)c(Cl)cc3OC)ccc2c1 ZINC000225055021 568611509 /nfs/dbraw/zinc/61/15/09/568611509.db2.gz GYJAOXRIHTYADK-UHFFFAOYSA-N 0 1 407.875 4.320 40 0 HIABMN COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)CN2CCCCCC2)o1 ZINC000257214178 568780123 /nfs/dbraw/zinc/78/01/23/568780123.db2.gz CKXDOWBIDJDDFA-OAQYLSRUSA-N 0 1 411.546 4.204 40 0 HIABMN Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCN(C(=O)COc3ccccc3F)C2)n1 ZINC000257318877 568810012 /nfs/dbraw/zinc/81/00/12/568810012.db2.gz VPTXPEYLCBJUPE-INIZCTEOSA-N 0 1 424.451 4.202 40 0 HIABMN Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCN(C(=O)COc3ccccc3F)C2)n1 ZINC000257318878 568810028 /nfs/dbraw/zinc/81/00/28/568810028.db2.gz VPTXPEYLCBJUPE-MRXNPFEDSA-N 0 1 424.451 4.202 40 0 HIABMN CC1(C)Cc2cc(C[N@@H+](CC(=O)[O-])C3CCN(c4ccccc4F)CC3)ccc2O1 ZINC000257344699 568817411 /nfs/dbraw/zinc/81/74/11/568817411.db2.gz ZYILFWICIJHQKL-UHFFFAOYSA-N 0 1 412.505 4.095 40 0 HIABMN CCCN1C(=O)c2n[nH]c(-c3ccc(OC)cc3)c2[C@H]1c1ccc(O)c(OCC)c1 ZINC000004909845 568934494 /nfs/dbraw/zinc/93/44/94/568934494.db2.gz HACDDLCSYGUZDO-JOCHJYFZSA-N 0 1 407.470 4.145 40 0 HIABMN Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3cccc(C(F)(F)F)c3)c(O)c12 ZINC000007424034 569031718 /nfs/dbraw/zinc/03/17/18/569031718.db2.gz KEFVKMKFLASWMO-UHFFFAOYSA-N 0 1 412.371 4.293 40 0 HIABMN CC1(C)[C@H](OC[C@@H](O)CN2CCN(Cc3ccc(Cl)cc3)CC2)[C@]2(C)CC[C@H]1C2 ZINC000229959737 569287219 /nfs/dbraw/zinc/28/72/19/569287219.db2.gz PRFWJKBNPGNZOH-NRTAZHGZSA-N 0 1 421.025 4.050 40 0 HIABMN O=C(NCc1ccccc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000006707131 569334545 /nfs/dbraw/zinc/33/45/45/569334545.db2.gz YQJRCIGGJINQAP-UHFFFAOYSA-N 0 1 400.887 4.071 40 0 HIABMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(C)cc2)c1 ZINC000008022772 569338826 /nfs/dbraw/zinc/33/88/26/569338826.db2.gz AKCZYRQBQNNFAK-JOCHJYFZSA-N 0 1 423.509 4.397 40 0 HIABMN O=C(N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2ccccc2F)C1)c1ccccn1 ZINC000019348969 569345385 /nfs/dbraw/zinc/34/53/85/569345385.db2.gz DBAKZBZRXBMCFF-YLJYHZDGSA-N 0 1 410.518 4.061 40 0 HIABMN CCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018098392 569383709 /nfs/dbraw/zinc/38/37/09/569383709.db2.gz JFIYDXQRDDANTE-VABKMULXSA-N 0 1 414.461 4.136 40 0 HIABMN CCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018098392 569383710 /nfs/dbraw/zinc/38/37/10/569383710.db2.gz JFIYDXQRDDANTE-VABKMULXSA-N 0 1 414.461 4.136 40 0 HIABMN CC(=O)[N-]S(=O)(=O)c1ccc(Nc2cc(C)[nH+]c3cc(C(F)(F)F)ccc23)cc1 ZINC000008870913 571130118 /nfs/dbraw/zinc/13/01/18/571130118.db2.gz AYJXOSLRKVCBFM-UHFFFAOYSA-N 0 1 423.416 4.130 40 0 HIABMN CC(C)c1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(NCc2ccccc2)n1 ZINC000329018376 571306374 /nfs/dbraw/zinc/30/63/74/571306374.db2.gz NRAMYUJFNVCVHE-SFHVURJKSA-N 0 1 402.542 4.828 40 0 HIABMN Cc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(NCc2ccccc2)n1 ZINC000328997931 571306495 /nfs/dbraw/zinc/30/64/95/571306495.db2.gz JQNGJUUCSJUKNN-UHFFFAOYSA-N 0 1 414.431 4.858 40 0 HIABMN