smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)C[C@H]12 ZINC000035870883 518931168 /nfs/dbraw/zinc/93/11/68/518931168.db2.gz UCLYKRFLGJLFEJ-RBBKRZOGSA-N 0 1 406.486 2.760 50 30 HFEAMN C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000025383460 518956617 /nfs/dbraw/zinc/95/66/17/518956617.db2.gz GJUVZYBUXCVJEL-GOSISDBHSA-N 0 1 419.572 2.779 50 30 HFEAMN COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1 ZINC000057061414 523477297 /nfs/dbraw/zinc/47/72/97/523477297.db2.gz ARRTZAFNFZYNTK-SFHVURJKSA-N 0 1 401.470 2.732 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(O)c2)cc1F ZINC000024116793 523557484 /nfs/dbraw/zinc/55/74/84/523557484.db2.gz FKOWFIGORCSDFB-LJQANCHMSA-N 0 1 414.433 2.680 50 30 HFEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccnc1 ZINC000000703049 557062745 /nfs/dbraw/zinc/06/27/45/557062745.db2.gz IOPVCVGKPQTQJE-UZLBHIALSA-N 0 1 422.437 2.610 50 30 HFEAMN N#CC(c1nc2ccccc2nc1N1CCOCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000002405565 557345284 /nfs/dbraw/zinc/34/52/84/557345284.db2.gz IUBZXQAMGOUFJM-GOSISDBHSA-N 0 1 412.446 2.644 50 30 HFEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@H](C)O)cc1 ZINC000005408985 557651879 /nfs/dbraw/zinc/65/18/79/557651879.db2.gz YKIHWMYWEIXGIX-LIRRHRJNSA-N 0 1 409.438 2.741 50 30 HFEAMN O=C(c1ccc2c(c1)OCO2)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccn1 ZINC000005491587 557657573 /nfs/dbraw/zinc/65/75/73/557657573.db2.gz ZSSAYXYKCORFPW-FQEVSTJZSA-N 0 1 415.405 2.984 50 30 HFEAMN O=C(c1cccs1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1ccc(Cl)cc1 ZINC000009329278 557837484 /nfs/dbraw/zinc/83/74/84/557837484.db2.gz GDYNANQXHBSSLM-INIZCTEOSA-N 0 1 407.875 2.989 50 30 HFEAMN O=C(C=Cc1ccco1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1 ZINC000020218880 558348420 /nfs/dbraw/zinc/34/84/20/558348420.db2.gz FQMHUIOOGBAWRV-VLCUDOKVSA-N 0 1 408.454 2.590 50 30 HFEAMN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000072306678 558764843 /nfs/dbraw/zinc/76/48/43/558764843.db2.gz HWUWVYFFQAYQDY-UHFFFAOYSA-N 0 1 405.437 2.525 50 30 HFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@H]2c2ccc(F)cc2)cc1F ZINC000016737240 558802970 /nfs/dbraw/zinc/80/29/70/558802970.db2.gz FTKXKGQLTFLFGI-SFHVURJKSA-N 0 1 403.381 2.934 50 30 HFEAMN Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccc(Cl)c1 ZINC000013689838 558855366 /nfs/dbraw/zinc/85/53/66/558855366.db2.gz JKIADOCRJIRAKQ-KRWDZBQOSA-N 0 1 402.882 2.820 50 30 HFEAMN Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccncc1 ZINC000013731698 558861104 /nfs/dbraw/zinc/86/11/04/558861104.db2.gz RCAJYVWDTWQJRM-LJQANCHMSA-N 0 1 403.442 2.605 50 30 HFEAMN Fc1ccccc1C=NN=c1nc(NCc2ccccc2)[nH]c(N2CCOCC2)n1 ZINC000004199537 560735367 /nfs/dbraw/zinc/73/53/67/560735367.db2.gz MFVQVGZDXSLRSD-BUVRLJJBSA-N 0 1 407.453 2.905 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2OC)c(C)c1 ZINC000102520527 560815897 /nfs/dbraw/zinc/81/58/97/560815897.db2.gz XIFGAMOEMFTWAN-MRJHHRETSA-N 0 1 424.497 2.996 50 30 HFEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(F)c2)s1 ZINC000102521227 560815902 /nfs/dbraw/zinc/81/59/02/560815902.db2.gz PNDWSJZUTHVVLY-IBOXJLQUSA-N 0 1 403.479 2.882 50 30 HFEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)cc1 ZINC000102716174 560823282 /nfs/dbraw/zinc/82/32/82/560823282.db2.gz YLEQKZAWCXXBTR-NHFXJNLRSA-N 0 1 409.486 2.852 50 30 HFEAMN COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102882843 560833958 /nfs/dbraw/zinc/83/39/58/560833958.db2.gz VERLZPVNPWKCJS-HVESIFNPSA-N 0 1 415.515 2.752 50 30 HFEAMN C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CN1CCN(c2ccccn2)CC1 ZINC000004027395 568878288 /nfs/dbraw/zinc/87/82/88/568878288.db2.gz RZVAWRGRSLEWCO-BQNWQSOBSA-N 0 1 411.546 2.731 50 30 HFEAMN N#CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1Cl ZINC000006658811 569083503 /nfs/dbraw/zinc/08/35/03/569083503.db2.gz KBOAHYCHBAZFKG-ZHCQSXIZSA-N 0 1 404.300 2.508 50 30 HFEAMN N#CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1Cl ZINC000006659671 569083898 /nfs/dbraw/zinc/08/38/98/569083898.db2.gz YKYANFPRXLAOPT-ZOTSVIKBSA-N 0 1 404.300 2.508 50 30 HFEAMN N#CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(Cl)c1 ZINC000006659977 569084018 /nfs/dbraw/zinc/08/40/18/569084018.db2.gz BLIARWDFBKRXQB-ZHCQSXIZSA-N 0 1 404.300 2.508 50 30 HFEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2cccs2)cc1 ZINC000009358383 571251350 /nfs/dbraw/zinc/25/13/50/571251350.db2.gz PFEOGIWYQOJPJE-GOSISDBHSA-N 0 1 417.483 2.734 50 30 HFEAMN C=C(C)CN1c2ccccc2[C@@]2(N[C@H](C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000103012507 518607843 /nfs/dbraw/zinc/60/78/43/518607843.db2.gz GZGMLSAYZDFQMJ-IOGAWYOOSA-N 0 1 415.493 2.598 50 30 HFEAMN C=CCNC(=O)C1(c2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2)CC1 ZINC000033274689 518884459 /nfs/dbraw/zinc/88/44/59/518884459.db2.gz BNKGICDYVYJMDM-UHFFFAOYSA-N 0 1 416.499 2.838 50 30 HFEAMN C=CCOC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036249772 518982586 /nfs/dbraw/zinc/98/25/86/518982586.db2.gz WJDJTAQTASIQRQ-FQEVSTJZSA-N 0 1 415.534 2.954 50 30 HFEAMN CCOc1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2CCOCCO)cc1 ZINC000009411263 521268693 /nfs/dbraw/zinc/26/86/93/521268693.db2.gz APQLJYIMWISDAQ-SFHVURJKSA-N 0 1 417.483 2.734 50 30 HFEAMN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@@H](C)O)cc1OC ZINC000008557150 557794943 /nfs/dbraw/zinc/79/49/43/557794943.db2.gz AQIJGTCOJADQRP-VLIAUNLRSA-N 0 1 411.454 2.971 50 30 HFEAMN CCc1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2CCOCCO)cc1 ZINC000009374973 557841114 /nfs/dbraw/zinc/84/11/14/557841114.db2.gz CEWFVTLHYUWCGZ-SFHVURJKSA-N 0 1 401.484 2.898 50 30 HFEAMN COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1OC ZINC000019955830 558315047 /nfs/dbraw/zinc/31/50/47/558315047.db2.gz INXWUTKNKFIWLP-KRWDZBQOSA-N 0 1 416.499 2.905 50 30 HFEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)c1OC ZINC000018084775 558830809 /nfs/dbraw/zinc/83/08/09/558830809.db2.gz GKYNIWVLVNEYIO-GOSISDBHSA-N 0 1 414.458 2.745 50 30 HFEAMN CC(C)Cc1nc(NC(=O)CNC(=O)N2CCN(c3ccc(Cl)cc3)CC2)n[nH]1 ZINC000072401332 558936036 /nfs/dbraw/zinc/93/60/36/558936036.db2.gz MLCMDEJGLXZHCS-UHFFFAOYSA-N 0 1 419.917 2.776 50 30 HFEAMN CC(C)Cc1n[nH]c(NC(=O)CNC(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000072401332 558936038 /nfs/dbraw/zinc/93/60/38/558936038.db2.gz MLCMDEJGLXZHCS-UHFFFAOYSA-N 0 1 419.917 2.776 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000005445182 560588091 /nfs/dbraw/zinc/58/80/91/560588091.db2.gz ZHFNKPSREUXHQQ-JBCNATCCSA-N 0 1 423.513 2.745 50 30 HFEAMN COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1OC ZINC000102487778 560811937 /nfs/dbraw/zinc/81/19/37/560811937.db2.gz FSOXRQZCVUTNDZ-HVESIFNPSA-N 0 1 416.499 2.749 50 30 HFEAMN COc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)c1 ZINC000102539378 560814015 /nfs/dbraw/zinc/81/40/15/560814015.db2.gz RKYNRONQDIDYGD-HVESIFNPSA-N 0 1 415.515 2.752 50 30 HFEAMN Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Cl)c2)c(C)n1 ZINC000102750156 560824527 /nfs/dbraw/zinc/82/45/27/560824527.db2.gz XFJLCLVOROXAMD-SELCWUDQSA-N 0 1 414.893 2.730 50 30 HFEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2cccs2)cc1 ZINC000102869209 560832725 /nfs/dbraw/zinc/83/27/25/560832725.db2.gz MWICQBHOXPXRKO-SELCWUDQSA-N 0 1 417.483 2.577 50 30 HFEAMN C=C(C)CN1c2ccccc2[C@@]2(N[C@H](C)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)C1=O ZINC000096299596 568722823 /nfs/dbraw/zinc/72/28/23/568722823.db2.gz KNTDJJMNRXBLGP-DRKJMRBYSA-N 0 1 401.466 2.602 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2)cc1 ZINC000005799873 568735277 /nfs/dbraw/zinc/73/52/77/568735277.db2.gz DVBBCUZOEFHBDA-YDJIHCHBSA-N 0 1 410.470 2.687 50 30 HFEAMN COC(=O)c1cc(OC)c(OC)cc1N=CC(C#N)S(=O)(=O)c1ccccc1 ZINC000334158606 568863104 /nfs/dbraw/zinc/86/31/04/568863104.db2.gz XGNUVFLPLZVPNL-UHFFFAOYSA-N 0 1 402.428 2.705 50 30 HFEAMN CCOC(=O)C1C(CN(C)c2cccc(C#N)c2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000058156967 568893319 /nfs/dbraw/zinc/89/33/19/568893319.db2.gz WRSXXFOKFBKJHG-OAQYLSRUSA-N 0 1 420.469 2.874 50 30 HFEAMN C=C(C)CN1c2ccccc2[C@@]2(N[C@H](C)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)C1=O ZINC000015319355 569004728 /nfs/dbraw/zinc/00/47/28/569004728.db2.gz KNTDJJMNRXBLGP-OKFIXCSWSA-N 0 1 401.466 2.602 50 30 HFEAMN C[C@@H](CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000035421896 569036222 /nfs/dbraw/zinc/03/62/22/569036222.db2.gz OVOLLCWDLQMNKH-IBGZPJMESA-N 0 1 404.514 2.626 50 30 HFEAMN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)o1 ZINC000006565419 569066219 /nfs/dbraw/zinc/06/62/19/569066219.db2.gz CHMSLHYHVMBALW-JMVURQKYSA-N 0 1 410.470 2.895 50 30 HFEAMN Cc1cc(C[C@H](C)NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n[nH]1 ZINC000089599188 569261094 /nfs/dbraw/zinc/26/10/94/569261094.db2.gz WUQLNEGZVULJPR-ZDUSSCGKSA-N 0 1 408.462 2.802 50 30 HFEAMN Fc1ccccc1C=NN=c1nc(NCc2ccccc2)[nH]c(N2CCOCC2)n1 ZINC000252620527 569304355 /nfs/dbraw/zinc/30/43/55/569304355.db2.gz MFVQVGZDXSLRSD-UHFFFAOYSA-N 0 1 407.453 2.905 50 30 HFEAMN C=CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc(F)cc3)co2)CC1 ZINC000034677149 518718172 /nfs/dbraw/zinc/71/81/72/518718172.db2.gz RWQPQCKFXLROIV-GOSISDBHSA-N 0 1 402.470 2.511 50 30 HFEAMN C=CCC[C@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc(F)cc3)co2)CC1 ZINC000034677148 518727660 /nfs/dbraw/zinc/72/76/60/518727660.db2.gz RWQPQCKFXLROIV-SFHVURJKSA-N 0 1 402.470 2.511 50 30 HFEAMN N#CC(c1nc2ccccc2nc1N1CCOCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000002405566 557345279 /nfs/dbraw/zinc/34/52/79/557345279.db2.gz IUBZXQAMGOUFJM-SFHVURJKSA-N 0 1 412.446 2.644 50 30 HFEAMN O=C(c1ccc2c(c1)OCO2)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccn1 ZINC000006080326 557686614 /nfs/dbraw/zinc/68/66/14/557686614.db2.gz ZSSAYXYKCORFPW-HXUWFJFHSA-N 0 1 415.405 2.984 50 30 HFEAMN CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2C#N)N2CCCC2)cc1 ZINC000004330527 558262295 /nfs/dbraw/zinc/26/22/95/558262295.db2.gz VUJGIJRWJMTUPG-NRFANRHFSA-N 0 1 405.502 2.516 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000019928134 558308604 /nfs/dbraw/zinc/30/86/04/558308604.db2.gz HOTSLVBZKXHZKS-NRFANRHFSA-N 0 1 423.513 2.901 50 30 HFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000019928134 558308607 /nfs/dbraw/zinc/30/86/07/558308607.db2.gz HOTSLVBZKXHZKS-NRFANRHFSA-N 0 1 423.513 2.901 50 30 HFEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(O)c2)cc1 ZINC000020082968 558331083 /nfs/dbraw/zinc/33/10/83/558331083.db2.gz XHRZDBXPLKGHAN-NRFANRHFSA-N 0 1 422.481 2.611 50 30 HFEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCO)[C@@H]2c2cccc(OC)c2)cc1 ZINC000016737060 558802855 /nfs/dbraw/zinc/80/28/55/558802855.db2.gz CEMRUABYJTYLNS-HXUWFJFHSA-N 0 1 409.438 2.831 50 30 HFEAMN N#CC(c1nc2ccccc2nc1N1CCOCC1)S(=O)(=O)c1cccs1 ZINC000005215578 560543271 /nfs/dbraw/zinc/54/32/71/560543271.db2.gz VWVGVBOPJHKQRN-OAHLLOKOSA-N 0 1 400.485 2.566 50 30 HFEAMN COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1OC ZINC000102487766 560811918 /nfs/dbraw/zinc/81/19/18/560811918.db2.gz FSOXRQZCVUTNDZ-GROYHEBESA-N 0 1 416.499 2.749 50 30 HFEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102524177 560816046 /nfs/dbraw/zinc/81/60/46/560816046.db2.gz OYQNBMKTDACRSP-WOOAAIBNSA-N 0 1 409.442 2.887 50 30 HFEAMN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccco1 ZINC000102738230 560824692 /nfs/dbraw/zinc/82/46/92/560824692.db2.gz WJGWNXHJHUFVII-HVESIFNPSA-N 0 1 404.850 2.925 50 30 HFEAMN Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)c(C)n1 ZINC000102750426 560825452 /nfs/dbraw/zinc/82/54/52/560825452.db2.gz MNVALPBHYYDBDO-GHNGSUTGSA-N 0 1 414.893 2.730 50 30 HFEAMN CCc1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2CCOCCO)cc1 ZINC000102892436 560833096 /nfs/dbraw/zinc/83/30/96/560833096.db2.gz UKRJCALJZDTXLN-SELCWUDQSA-N 0 1 401.484 2.741 50 30 HFEAMN CCOc1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2CCOCCO)cc1 ZINC000102892413 560833105 /nfs/dbraw/zinc/83/31/05/560833105.db2.gz KUKNLDPOSBDFSC-GHNGSUTGSA-N 0 1 417.483 2.577 50 30 HFEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCO)c(OC)c1 ZINC000102931279 560835594 /nfs/dbraw/zinc/83/55/94/560835594.db2.gz OKNLGICZWVUEEN-GHNGSUTGSA-N 0 1 417.845 2.771 50 30 HFEAMN CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCC(C(=O)OC)CC1 ZINC000004857091 568421203 /nfs/dbraw/zinc/42/12/03/568421203.db2.gz PDQWBDBNPRKULK-MRXNPFEDSA-N 0 1 409.490 2.543 50 30 HFEAMN COCCC[NH+]=C(Nc1cccc(C(=O)[O-])c1)N1CCN(C2CCCCC2)CC1 ZINC000046021889 568424098 /nfs/dbraw/zinc/42/40/98/568424098.db2.gz DCFULEBDHFMTKF-UHFFFAOYSA-N 0 1 402.539 2.949 50 30 HFEAMN Cc1ccc(O)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000020310484 568598565 /nfs/dbraw/zinc/59/85/65/568598565.db2.gz GIODAHCDTGSVCZ-OAQYLSRUSA-N 0 1 422.481 2.611 50 30 HFEAMN COCCNC1=Nc2ncccc2NC12CCN(C(=O)Cc1ccccc1F)CC2 ZINC000096309690 568673844 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KBUJWVHPSZWNDD-SFHVURJKSA-N 0 1 410.499 2.844 50 30 HFEAMN CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCC(C(N)=O)CC1 ZINC000002218171 569311587 /nfs/dbraw/zinc/31/15/87/569311587.db2.gz UHDOZEMWVGTXFN-QGZVFWFLSA-N 0 1 422.533 2.635 50 30 HFEAMN Cn1c(NN=Cc2ccccc2Cl)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C ZINC000008996189 571208755 /nfs/dbraw/zinc/20/87/55/571208755.db2.gz DBVYPMMWGSBYRR-FSJBWODESA-N 0 1 422.876 2.581 50 30 HFEAMN C=CCC[C@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc(C)c(F)c3)co2)CC1 ZINC000034677465 518728052 /nfs/dbraw/zinc/72/80/52/518728052.db2.gz FRGKVXULBOCMEO-SFHVURJKSA-N 0 1 416.497 2.819 50 30 HFEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccn2)cc1 ZINC000102711376 519778267 /nfs/dbraw/zinc/77/82/67/519778267.db2.gz XEQKDFYQAIDKGN-NHFXJNLRSA-N 0 1 409.486 2.852 50 30 HFEAMN COc1cccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000020029367 524171360 /nfs/dbraw/zinc/17/13/60/524171360.db2.gz UMQAODJLBOZHLS-NRFANRHFSA-N 0 1 422.481 2.606 50 30 HFEAMN COc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)C(=O)C(=O)N2CCOCCO)cc1 ZINC000033859403 525216457 /nfs/dbraw/zinc/21/64/57/525216457.db2.gz UIFQQHCPYHUYST-ZKUBTYIGSA-N 0 1 423.465 2.682 50 30 HFEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@@H](C)O)cc1OC ZINC000018115066 525217982 /nfs/dbraw/zinc/21/79/82/525217982.db2.gz AQIJGTCOJADQRP-JLTOFOAXSA-N 0 1 411.454 2.971 50 30 HFEAMN COc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)C(=O)C(=O)N2CCOCCO)cc1 ZINC000033859404 525382544 /nfs/dbraw/zinc/38/25/44/525382544.db2.gz UIFQQHCPYHUYST-MQHMHSRESA-N 0 1 423.465 2.682 50 30 HFEAMN Cc1c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccco2)cnn1-c1ccccc1 ZINC000102538955 525513450 /nfs/dbraw/zinc/51/34/50/525513450.db2.gz RWQXTXURQLSBIL-NHFXJNLRSA-N 0 1 420.469 2.757 50 30 HFEAMN N#Cc1ccc(CN2CCCN(Cn3nc(-c4ccc(F)cc4)oc3=O)CC2)cc1 ZINC000022914545 557857760 /nfs/dbraw/zinc/85/77/60/557857760.db2.gz WUBDUIQUDNAZCD-UHFFFAOYSA-N 0 1 407.449 2.679 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)cc1Cl ZINC000004333193 558263407 /nfs/dbraw/zinc/26/34/07/558263407.db2.gz OVDCAFDNVVXPMJ-SELCWUDQSA-N 0 1 415.877 2.727 50 30 HFEAMN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000019788341 558281955 /nfs/dbraw/zinc/28/19/55/558281955.db2.gz WAIWCJYVBSHUIJ-FQEVSTJZSA-N 0 1 410.470 2.844 50 30 HFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000019939624 558313706 /nfs/dbraw/zinc/31/37/06/558313706.db2.gz QAGKRFSSCRADLO-SFHVURJKSA-N 0 1 413.405 2.874 50 30 HFEAMN [NH2+]=C(Nc1ccc(I)cc1)Nc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000015745805 558751383 /nfs/dbraw/zinc/75/13/83/558751383.db2.gz UTONCWYNWJNGMN-UHFFFAOYSA-N 0 1 423.136 2.864 50 30 HFEAMN COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2CCCO)cc1 ZINC000016737222 558803003 /nfs/dbraw/zinc/80/30/03/558803003.db2.gz JDKAJQPEYWCZNO-IBGZPJMESA-N 0 1 415.417 2.804 50 30 HFEAMN Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Cl)c2)c(C)n1 ZINC000013690633 558855788 /nfs/dbraw/zinc/85/57/88/558855788.db2.gz VXQZXHFGRAXTBL-GOSISDBHSA-N 0 1 414.893 2.887 50 30 HFEAMN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccccn1 ZINC000013733978 558861830 /nfs/dbraw/zinc/86/18/30/558861830.db2.gz CUIDIAMTWYVFEO-SFHVURJKSA-N 0 1 415.877 2.884 50 30 HFEAMN CC1(C)Cc2c(C#N)c(=S)[nH]c(N3CCN(C(=O)Cc4ccccc4)CC3)c2CO1 ZINC000013774359 558866797 /nfs/dbraw/zinc/86/67/97/558866797.db2.gz UKFOQONBVZQKSX-UHFFFAOYSA-N 0 1 422.554 2.985 50 30 HFEAMN Cc1ccc(F)c(S(=O)(=O)/C(C#N)=N/Nc2ccc(C(=O)n3ccnc3)cc2)c1 ZINC000098212061 559127557 /nfs/dbraw/zinc/12/75/57/559127557.db2.gz SZHPKUIROAOMMQ-HKOYGPOVSA-N 0 1 411.418 2.742 50 30 HFEAMN C=C(C)CN1c2ccccc2[C@@]2(N[C@H](C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000100162580 559167369 /nfs/dbraw/zinc/16/73/69/559167369.db2.gz GZGMLSAYZDFQMJ-FAELBMERSA-N 0 1 415.493 2.598 50 30 HFEAMN N#Cc1ccc(CN2CCCN(C(=O)CCn3c(=O)oc4ccccc43)CC2)cc1 ZINC000023753304 559180784 /nfs/dbraw/zinc/18/07/84/559180784.db2.gz NIEJWSRCLZVXMY-UHFFFAOYSA-N 0 1 404.470 2.591 50 30 HFEAMN CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCC(C(=O)OC)CC1 ZINC000004857087 559192692 /nfs/dbraw/zinc/19/26/92/559192692.db2.gz PDQWBDBNPRKULK-INIZCTEOSA-N 0 1 409.490 2.543 50 30 HFEAMN Cc1c(Br)c(C)n(NC(=O)c2coc(Br)c2)c(=O)c1C#N ZINC000408515446 559213084 /nfs/dbraw/zinc/21/30/84/559213084.db2.gz XUXZQRZIRWGZAI-UHFFFAOYSA-N 0 1 415.041 2.839 50 30 HFEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1 ZINC000005484041 560596818 /nfs/dbraw/zinc/59/68/18/560596818.db2.gz TVSIIKYBDBTSAP-MRJHHRETSA-N 0 1 406.482 2.831 50 30 HFEAMN COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)c1OC ZINC000102719776 560823571 /nfs/dbraw/zinc/82/35/71/560823571.db2.gz ZZAMFDILBGQDCU-NHFXJNLRSA-N 0 1 424.497 2.996 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)cc1F ZINC000102747607 560824258 /nfs/dbraw/zinc/82/42/58/560824258.db2.gz KGOTXNZLAPNART-HVESIFNPSA-N 0 1 404.463 2.879 50 30 HFEAMN Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000102737907 560824708 /nfs/dbraw/zinc/82/47/08/560824708.db2.gz NUAVIFICFMZOMC-GROYHEBESA-N 0 1 402.882 2.663 50 30 HFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000102802412 560828761 /nfs/dbraw/zinc/82/87/61/560828761.db2.gz MCYLYRJTOOPPAW-NHFXJNLRSA-N 0 1 410.470 2.565 50 30 HFEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccc(F)c1 ZINC000102864876 560832553 /nfs/dbraw/zinc/83/25/53/560832553.db2.gz MUZQAYJZBUOQBQ-ASBZNUFUSA-N 0 1 422.460 2.765 50 30 HFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(O)c1 ZINC000103993134 560846561 /nfs/dbraw/zinc/84/65/61/560846561.db2.gz CUSJNBOADVLYLT-SPKPZRPVSA-N 0 1 409.438 2.784 50 30 HFEAMN Cc1cc([O-])c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccnc2)cc1C ZINC000020309998 568598416 /nfs/dbraw/zinc/59/84/16/568598416.db2.gz QRJNGNVWIXUAPP-FQEVSTJZSA-N 0 1 409.486 2.934 50 30 HFEAMN COCCNC1=Nc2ncccc2NC12CCN(C(=O)NC1CCCCC1)CC2 ZINC000096309697 568673874 /nfs/dbraw/zinc/67/38/74/568673874.db2.gz KKOJURRENJNRKW-UHFFFAOYSA-N 0 1 400.527 2.841 50 30 HFEAMN CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCC[C@@H](C(=O)OCC)C1 ZINC000013799888 568719539 /nfs/dbraw/zinc/71/95/39/568719539.db2.gz KJMOEEKHHFTNGU-SJORKVTESA-N 0 1 423.517 2.933 50 30 HFEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2)c1 ZINC000005799907 568735441 /nfs/dbraw/zinc/73/54/41/568735441.db2.gz RTONIPMUTLZQBE-NHFXJNLRSA-N 0 1 410.470 2.687 50 30 HFEAMN CC[NH+]1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc(C(=O)OC)cc2)O3)CC1 ZINC000022575538 568769912 /nfs/dbraw/zinc/76/99/12/568769912.db2.gz DNWOSIBIBJRVMY-STZFKDTASA-N 0 1 422.481 2.933 50 30 HFEAMN C=CCN1c2ccccc2[C@@]2(N[C@H](CC(C)C)[C@H]3C(=O)N(CCCC)C(=O)[C@H]32)C1=O ZINC000230021654 568802126 /nfs/dbraw/zinc/80/21/26/568802126.db2.gz CCPFXTOFIDHMBG-HMSHQKHKSA-N 0 1 409.530 2.834 50 30 HFEAMN C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CN1CCN(c2ccccn2)CC1 ZINC000004027393 568878345 /nfs/dbraw/zinc/87/83/45/568878345.db2.gz RZVAWRGRSLEWCO-ZWALLPKMSA-N 0 1 411.546 2.731 50 30 biogenic HFEAMN C[C@@H]1CC[C@H]2[C@@H](CN3CCN(c4ccccn4)CC3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13 ZINC000004082631 568939304 /nfs/dbraw/zinc/93/93/04/568939304.db2.gz SFYCZGWXQMTELK-PHPKQPRUSA-N 0 1 411.546 2.729 50 30 biogenic HFEAMN C=CCSc1nnc(NC(=O)c2nc(S(=O)(=O)CCC)ncc2Cl)s1 ZINC000012062720 568993049 /nfs/dbraw/zinc/99/30/49/568993049.db2.gz SWEKKBOIEDNSMG-UHFFFAOYSA-N 0 1 419.941 2.696 50 30 HFEAMN N#CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1Cl ZINC000006659669 569083948 /nfs/dbraw/zinc/08/39/48/569083948.db2.gz YKYANFPRXLAOPT-FMVACOBOSA-N 0 1 404.300 2.508 50 30 HFEAMN C=CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681846 569127776 /nfs/dbraw/zinc/12/77/76/569127776.db2.gz FAHKBLZDUMATNG-IRLDBZIGSA-N 0 1 424.476 2.899 50 30 HFEAMN C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@H](CN3CCN(c4ccccn4)CC3)C(=O)O[C@@H]1C2 ZINC000252694938 569320261 /nfs/dbraw/zinc/32/02/61/569320261.db2.gz RZVAWRGRSLEWCO-JXSOEYBPSA-N 0 1 411.546 2.731 50 30 biogenic HFEAMN C[C@H](NC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1)c1ccccc1 ZINC000002377791 569389639 /nfs/dbraw/zinc/38/96/39/569389639.db2.gz HDRHTEBEVKCKSD-WMZOPIPTSA-N 0 1 401.470 2.951 50 30 HFEAMN COC(=O)c1ccc(/C=C2\Oc3c(c(C)cc(O)c3CN3CCN(C)CC3)C2=O)cc1 ZINC000020589693 521937225 /nfs/dbraw/zinc/93/72/25/521937225.db2.gz FERDYFBRKLGVFL-MOSHPQCFSA-N 0 1 422.481 2.851 50 30 HFEAMN COCCOC(=NC(=O)c1cccc(C(F)(F)F)c1)NCCN1CCCCC1 ZINC000035817302 523967662 /nfs/dbraw/zinc/96/76/62/523967662.db2.gz SEYRAOQTAOYKMA-UHFFFAOYSA-N 0 1 401.429 2.940 50 30 HFEAMN CS(=O)(=O)Nc1ccc(C(=N)NOC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000003129666 557449262 /nfs/dbraw/zinc/44/92/62/557449262.db2.gz HOTXPEYETWVYNT-UHFFFAOYSA-N 0 1 401.366 2.764 50 30 HFEAMN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@@H](C)O)c(OC)c1 ZINC000008557153 557794957 /nfs/dbraw/zinc/79/49/57/557794957.db2.gz PGLLYFSHOQHGQP-VLIAUNLRSA-N 0 1 411.454 2.971 50 30 HFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000019861484 558298046 /nfs/dbraw/zinc/29/80/46/558298046.db2.gz KPOGCFNVCNAJJN-INIZCTEOSA-N 0 1 401.444 2.796 50 30 HFEAMN COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1OC ZINC000019955835 558314981 /nfs/dbraw/zinc/31/49/81/558314981.db2.gz INXWUTKNKFIWLP-QGZVFWFLSA-N 0 1 416.499 2.905 50 30 HFEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOCCO)[C@@H]2c2ccccc2)cc1 ZINC000016741351 558803607 /nfs/dbraw/zinc/80/36/07/558803607.db2.gz YTHVHQSSPSMIAX-OAQYLSRUSA-N 0 1 423.465 2.839 50 30 HFEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000016956051 558810061 /nfs/dbraw/zinc/81/00/61/558810061.db2.gz ZLPSLOTYOYURAO-QKKBWIMNSA-N 0 1 422.481 2.856 50 30 HFEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)C(=O)C(=O)N1CCN1CCOCC1 ZINC000018059304 558830231 /nfs/dbraw/zinc/83/02/31/558830231.db2.gz RWEWZCGNCJIHKD-OAQYLSRUSA-N 0 1 422.481 2.606 50 30 HFEAMN Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000013724246 558860278 /nfs/dbraw/zinc/86/02/78/558860278.db2.gz JZDHJNOCHZYPFB-QGZVFWFLSA-N 0 1 402.882 2.820 50 30 HFEAMN O=C(c1ccccc1)C1C(=O)C(=O)N([C@H]2CCS(=O)(=O)C2)[C@H]1c1cccc(F)c1 ZINC000011913802 559267112 /nfs/dbraw/zinc/26/71/12/559267112.db2.gz AUNMAQIOPFJFGF-WMZOPIPTSA-N 0 1 415.442 2.591 50 30 HFEAMN Cc1cc(NC[C@@H]([C@H]2CCOC2)N2CCOCC2)n2c3ccccc3nc2c1C#N ZINC000024204534 559277337 /nfs/dbraw/zinc/27/73/37/559277337.db2.gz WHURJHAJHBBEJP-UWJYYQICSA-N 0 1 405.502 2.817 50 30 HFEAMN C=CCOC(=O)c1cc(-c2ccc(C=C3C(=O)NC(=O)NC3=O)o2)ccc1Cl ZINC000005175592 559288578 /nfs/dbraw/zinc/28/85/78/559288578.db2.gz PZQZLYDWFCOOCT-UHFFFAOYSA-N 0 1 400.774 2.692 50 30 HFEAMN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccco1 ZINC000102489495 560811920 /nfs/dbraw/zinc/81/19/20/560811920.db2.gz NKSHKBXTDVOCOV-CQGUWYRNSA-N 0 1 408.458 2.527 50 30 HFEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCO)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102542851 560814456 /nfs/dbraw/zinc/81/44/56/560814456.db2.gz UGVHQKPYVWUBIZ-UYTDBDHRSA-N 0 1 402.790 2.662 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)cc1F ZINC000102747606 560824252 /nfs/dbraw/zinc/82/42/52/560824252.db2.gz KGOTXNZLAPNART-GROYHEBESA-N 0 1 404.463 2.879 50 30 HFEAMN Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccc(Cl)c1 ZINC000102738531 560824756 /nfs/dbraw/zinc/82/47/56/560824756.db2.gz IBMHQGZIYGMFFM-GHNGSUTGSA-N 0 1 416.909 2.674 50 30 HFEAMN O=C(c1cccs1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1ccc(Cl)cc1 ZINC000102885185 560834073 /nfs/dbraw/zinc/83/40/73/560834073.db2.gz KSKJBSJNAVWPMZ-UYTDBDHRSA-N 0 1 407.875 2.832 50 30 HFEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2OC)c1 ZINC000005799909 568735316 /nfs/dbraw/zinc/73/53/16/568735316.db2.gz HRVWORLLEVKHEZ-NHFXJNLRSA-N 0 1 410.470 2.687 50 30 HFEAMN Cc1c(C#N)c2nc3ccccc3n2c(O)c1C=C1C(=O)NN(c2ccccc2)C1=O ZINC000003027122 568841602 /nfs/dbraw/zinc/84/16/02/568841602.db2.gz POODMBMVTYSDGH-WJDWOHSUSA-N 0 1 409.405 2.835 50 30 HFEAMN N#CC(C(=O)CCNS(=O)(=O)c1ccccc1F)c1ccc(C(F)(F)F)cn1 ZINC000084505960 568949745 /nfs/dbraw/zinc/94/97/45/568949745.db2.gz DNJLAUKUWGZYIV-LBPRGKRZSA-N 0 1 415.368 2.784 50 30 HFEAMN C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000015022771 569004396 /nfs/dbraw/zinc/00/43/96/569004396.db2.gz CEBPPLHARXWWJP-PDFGSZSQSA-N 0 1 413.477 2.698 50 30 HFEAMN C=CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)C[C@@H]12 ZINC000169677310 569125388 /nfs/dbraw/zinc/12/53/88/569125388.db2.gz UCLYKRFLGJLFEJ-IRLDBZIGSA-N 0 1 406.486 2.760 50 30 HFEAMN C=CCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681666 569127660 /nfs/dbraw/zinc/12/76/60/569127660.db2.gz UQTJYHQGCNNKML-GGAORHGYSA-N 0 1 409.505 3.000 50 30 HFEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)cc1 ZINC000006812690 569136630 /nfs/dbraw/zinc/13/66/30/569136630.db2.gz IDFXBTYWNZIMPK-YDJIHCHBSA-N 0 1 407.470 2.630 50 30 HFEAMN C[NH+]=C(Nc1ccc(F)cc1)S[C@@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000006855055 518568968 /nfs/dbraw/zinc/56/89/68/518568968.db2.gz ZBKYBZIQQUOCHA-OAHLLOKOSA-N 0 1 401.419 2.987 50 30 HFEAMN C=CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)N(C)C3CCCCC3)co2)CC1 ZINC000034677664 518717478 /nfs/dbraw/zinc/71/74/78/518717478.db2.gz YYXPKHIWRUOOKB-LJQANCHMSA-N 0 1 404.555 2.524 50 30 HFEAMN C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000033821820 518878022 /nfs/dbraw/zinc/87/80/22/518878022.db2.gz CEBPPLHARXWWJP-HSGJQSDISA-N 0 1 413.477 2.698 50 30 HFEAMN C=CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)C[C@H]12 ZINC000035870881 518921934 /nfs/dbraw/zinc/92/19/34/518921934.db2.gz UCLYKRFLGJLFEJ-IFMALSPDSA-N 0 1 406.486 2.760 50 30 HFEAMN CCOc1ccc(CN2CCN(Cc3ccc(C#CCCO)cc3)C[C@@H]2CCO)cc1 ZINC000020600864 520972046 /nfs/dbraw/zinc/97/20/46/520972046.db2.gz YVRSTGHOBMAZLP-VWLOTQADSA-N 0 1 422.569 2.888 50 30 HFEAMN O=S(=O)(N=C1CCCN1)c1cccc(NS(=O)(=O)c2ccccc2Cl)c1 ZINC000022373681 527161453 /nfs/dbraw/zinc/16/14/53/527161453.db2.gz ZBDBISPAKUVSMB-UHFFFAOYSA-N 0 1 413.908 2.611 50 30 HFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1 ZINC000019880070 558300477 /nfs/dbraw/zinc/30/04/77/558300477.db2.gz XYUADSXSBHQXPO-IBGZPJMESA-N 0 1 412.417 2.694 50 30 HFEAMN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020233687 558350476 /nfs/dbraw/zinc/35/04/76/558350476.db2.gz LSTIIJOVIUSZSK-NRFANRHFSA-N 0 1 422.481 2.906 50 30 HFEAMN CC(=NN1CC[NH+](C)CC1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000012342842 558386300 /nfs/dbraw/zinc/38/63/00/558386300.db2.gz UEPZFYVUMGXXSH-KSEXSDGBSA-N 0 1 424.452 2.766 50 30 HFEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000016956049 558810156 /nfs/dbraw/zinc/81/01/56/558810156.db2.gz ZLPSLOTYOYURAO-SZNDQCEHSA-N 0 1 422.481 2.856 50 30 HFEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@@H](C)O)c(OC)c1 ZINC000018087221 558830775 /nfs/dbraw/zinc/83/07/75/558830775.db2.gz PGLLYFSHOQHGQP-JLTOFOAXSA-N 0 1 411.454 2.971 50 30 HFEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCO)c(OC)c1 ZINC000018212644 558833694 /nfs/dbraw/zinc/83/36/94/558833694.db2.gz BHUKDUVHRJJPHK-SFHVURJKSA-N 0 1 417.845 2.928 50 30 HFEAMN COC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CCCC2)CC1 ZINC000005234714 560548168 /nfs/dbraw/zinc/54/81/68/560548168.db2.gz YJTNQCALBJMORN-KRWDZBQOSA-N 0 1 421.501 2.685 50 30 HFEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)cc1 ZINC000101288257 560790748 /nfs/dbraw/zinc/79/07/48/560790748.db2.gz ICCPLNHHYJLOFZ-YDJIHCHBSA-N 0 1 407.470 2.630 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)cc2)c(C)c1 ZINC000102879458 560833666 /nfs/dbraw/zinc/83/36/66/560833666.db2.gz HSKAPDMUQMUELG-YDJIHCHBSA-N 0 1 410.470 2.693 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2OC)cc1C ZINC000102879588 560833670 /nfs/dbraw/zinc/83/36/70/560833670.db2.gz BGYWKJQUCJOBRJ-MRJHHRETSA-N 0 1 424.497 2.996 50 30 HFEAMN C=C(C)CN1c2ccccc2[C@@]2(N[C@H](C)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O ZINC000103010961 560836468 /nfs/dbraw/zinc/83/64/68/560836468.db2.gz KNTDJJMNRXBLGP-QTHROWRDSA-N 0 1 401.466 2.602 50 30 HFEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000104173130 560849004 /nfs/dbraw/zinc/84/90/04/560849004.db2.gz MTBPSDHNGXGHOO-JBCNATCCSA-N 0 1 424.472 2.970 50 30 HFEAMN N#CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1Cl ZINC000006659693 568457080 /nfs/dbraw/zinc/45/70/80/568457080.db2.gz SIAWFUYXQJVGAG-RRPDAFEBSA-N 0 1 404.300 2.508 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)cc1Cl ZINC000020264352 568596513 /nfs/dbraw/zinc/59/65/13/568596513.db2.gz PJIQTYKVHTVILK-GOSISDBHSA-N 0 1 415.877 2.884 50 30 HFEAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NCCS)c3=O)c2c1 ZINC000020331542 568599351 /nfs/dbraw/zinc/59/93/51/568599351.db2.gz WWBOIXVWEATMJL-UHFFFAOYSA-N 0 1 406.533 2.765 50 30 HFEAMN N#CC(C(=O)NCCN1CCOCC1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000095455160 568616736 /nfs/dbraw/zinc/61/67/36/568616736.db2.gz RPVMHDDYXBBLIQ-XDHFQJGLSA-N 0 1 414.575 2.666 50 30 HFEAMN CCOC(=O)C1C(CN(C)c2cccc(C#N)c2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000058156968 568893323 /nfs/dbraw/zinc/89/33/23/568893323.db2.gz WRSXXFOKFBKJHG-NRFANRHFSA-N 0 1 420.469 2.874 50 30 HFEAMN C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000058245124 568928189 /nfs/dbraw/zinc/92/81/89/568928189.db2.gz GFIQDMZWJOVMEN-IBGZPJMESA-N 0 1 417.531 2.619 50 30 HFEAMN C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](N(C)Cc1cc(C)no1)C2 ZINC000014541652 569002962 /nfs/dbraw/zinc/00/29/62/569002962.db2.gz OWSIGAIDZVPUPE-MRXNPFEDSA-N 0 1 415.563 2.544 50 30 HFEAMN COc1ccc(-c2n[nH]c(NC(=O)COCc3nc4ccccc4c(=O)[nH]3)n2)cc1 ZINC000012936693 569027323 /nfs/dbraw/zinc/02/73/23/569027323.db2.gz NEFFRNNWXYUHTA-UHFFFAOYSA-N 0 1 406.402 2.522 50 30 HFEAMN C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1[C@@H]1CCCN12 ZINC000248141548 569057582 /nfs/dbraw/zinc/05/75/82/569057582.db2.gz CEBPPLHARXWWJP-UKDJSQQHSA-N 0 1 413.477 2.698 50 30 HFEAMN N#CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1Cl ZINC000006659694 569083985 /nfs/dbraw/zinc/08/39/85/569083985.db2.gz SIAWFUYXQJVGAG-GERDJBSHSA-N 0 1 404.300 2.508 50 30 HFEAMN COC(=O)[C@@]1(NC(=O)CCc2ccc(C#N)cc2)CCCN(Cc2ccccc2)C1 ZINC000079071304 569426842 /nfs/dbraw/zinc/42/68/42/569426842.db2.gz XJYZRAKNBAICMZ-XMMPIXPASA-N 0 1 405.498 2.815 50 30 HFEAMN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)o1 ZINC000009403694 571255066 /nfs/dbraw/zinc/25/50/66/571255066.db2.gz CHMSLHYHVMBALW-JKMRNHAYSA-N 0 1 410.470 2.895 50 30 HFEAMN Cc1csc([C@H](C#N)C(=O)COC(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)n1 ZINC000009534240 571267129 /nfs/dbraw/zinc/26/71/29/571267129.db2.gz OYISRHLOTUVIBZ-SJLPKXTDSA-N 0 1 413.499 2.934 50 30 HFEAMN Cc1csc(C(C#N)C(=O)COC(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)n1 ZINC000009534240 571267131 /nfs/dbraw/zinc/26/71/31/571267131.db2.gz OYISRHLOTUVIBZ-SJLPKXTDSA-N 0 1 413.499 2.934 50 30 HFEAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(C#N)cc2F)CC1 ZINC000004711724 132285375 /nfs/dbraw/zinc/28/53/75/132285375.db2.gz PVNUKHVZTSSRSY-UHFFFAOYSA-N 0 1 410.449 2.878 50 30 HFEAMN C=CCC[C@H](O)CN1CCN(Cc2nc(C(=O)Nc3cc(C)ccc3F)co2)CC1 ZINC000034677335 518727627 /nfs/dbraw/zinc/72/76/27/518727627.db2.gz ZNVBLJMIUFZAAO-KRWDZBQOSA-N 0 1 416.497 2.819 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1OC ZINC000005800778 557799088 /nfs/dbraw/zinc/79/90/88/557799088.db2.gz WDQKMLZULBVCOF-JBCNATCCSA-N 0 1 424.497 2.996 50 30 HFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccs1 ZINC000019880091 558300557 /nfs/dbraw/zinc/30/05/57/558300557.db2.gz SRKJKIAZYJXVPF-QGZVFWFLSA-N 0 1 400.456 2.617 50 30 HFEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 ZINC000019883616 558301486 /nfs/dbraw/zinc/30/14/86/558301486.db2.gz NTPNAKINWUACBB-SFHVURJKSA-N 0 1 416.474 2.798 50 30 HFEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@H](C)O)cc1OC ZINC000018010444 558829449 /nfs/dbraw/zinc/82/94/49/558829449.db2.gz AQIJGTCOJADQRP-VBKZILBWSA-N 0 1 411.454 2.971 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)c(OC)c1 ZINC000013693116 558856195 /nfs/dbraw/zinc/85/61/95/558856195.db2.gz KYBIVOOGSXHRRA-SFHVURJKSA-N 0 1 416.499 2.905 50 30 HFEAMN Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccc(Cl)c1 ZINC000013725819 558860521 /nfs/dbraw/zinc/86/05/21/558860521.db2.gz LVFNQIIWNASZKG-SFHVURJKSA-N 0 1 416.909 2.830 50 30 HFEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000102890020 560832985 /nfs/dbraw/zinc/83/29/85/560832985.db2.gz ZPNHKJLFWSTXGE-YHSLPNTHSA-N 0 1 422.481 2.699 50 30 HFEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000102877835 560833405 /nfs/dbraw/zinc/83/34/05/560833405.db2.gz PZXHHCXQUKJKGG-JBCNATCCSA-N 0 1 424.497 2.996 50 30 HFEAMN COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020219700 568595238 /nfs/dbraw/zinc/59/52/38/568595238.db2.gz XOKRFNYDCHXOGR-HXUWFJFHSA-N 0 1 410.470 2.844 50 30 HFEAMN O=C(c1cccc(Br)c1)C1C(=O)C(=O)OC12C(=O)c1ccccc1C2=O ZINC000001068434 568766902 /nfs/dbraw/zinc/76/69/02/568766902.db2.gz NVLYZYKEFWUFGG-UHFFFAOYSA-N 0 1 413.179 2.819 50 30 HFEAMN CC(=O)C1=CCC(=NC(=O)c2cccc(NC(=O)N[C@H]3CCS(=O)(=O)C3)c2)C=C1 ZINC000334158208 568862818 /nfs/dbraw/zinc/86/28/18/568862818.db2.gz YEVHOJRRMGKGHK-SFHVURJKSA-N 0 1 415.471 2.534 50 30 HFEAMN N#CC(C(=O)CCNS(=O)(=O)c1ccccc1F)c1ccc(C(F)(F)F)cn1 ZINC000084505961 568949879 /nfs/dbraw/zinc/94/98/79/568949879.db2.gz DNJLAUKUWGZYIV-GFCCVEGCSA-N 0 1 415.368 2.784 50 30 HFEAMN Cc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCN(C)C)o1 ZINC000004312334 568961141 /nfs/dbraw/zinc/96/11/41/568961141.db2.gz XKODAJHYYRXWML-IBGZPJMESA-N 0 1 422.485 2.992 50 30 HFEAMN C=C(C)CN1c2ccccc2[C@@]2(N[C@H](C)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O ZINC000217596213 569038951 /nfs/dbraw/zinc/03/89/51/569038951.db2.gz KNTDJJMNRXBLGP-OCAQFLDPSA-N 0 1 401.466 2.602 50 30 HFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(O)c1 ZINC000006411990 569046871 /nfs/dbraw/zinc/04/68/71/569046871.db2.gz PPRXGTSIFQMIAG-RBZFPXEDSA-N 0 1 409.438 2.940 50 30 biogenic HFEAMN N#CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1Cl ZINC000006658812 569083540 /nfs/dbraw/zinc/08/35/40/569083540.db2.gz KBOAHYCHBAZFKG-RRPDAFEBSA-N 0 1 404.300 2.508 50 30 HFEAMN N#CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1 ZINC000006659980 569084043 /nfs/dbraw/zinc/08/40/43/569084043.db2.gz BLIARWDFBKRXQB-ONYLCFQQSA-N 0 1 404.300 2.508 50 30 HFEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000006784145 569121424 /nfs/dbraw/zinc/12/14/24/569121424.db2.gz IIPJPHLPFVVDRV-LFVOPCPISA-N 0 1 414.458 2.670 50 30 HFEAMN C=CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681847 569127830 /nfs/dbraw/zinc/12/78/30/569127830.db2.gz FAHKBLZDUMATNG-UNMCSNQZSA-N 0 1 424.476 2.899 50 30 HFEAMN CC(=NN1CC[NH+](C)CC1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000252629376 569311456 /nfs/dbraw/zinc/31/14/56/569311456.db2.gz UEPZFYVUMGXXSH-UHFFFAOYSA-N 0 1 424.452 2.766 50 30 HFEAMN CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCC[C@H](C(=O)OCC)C1 ZINC000002216999 569311464 /nfs/dbraw/zinc/31/14/64/569311464.db2.gz KJMOEEKHHFTNGU-DLBZAZTESA-N 0 1 423.517 2.933 50 30 HFEAMN COc1ccc(NC(=O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000040033596 571141064 /nfs/dbraw/zinc/14/10/64/571141064.db2.gz LPMVHMMBMAZSIF-UHFFFAOYSA-N 0 1 408.502 2.722 50 30 HFEAMN CN(C)S(=O)(=O)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C)ccc1Cl ZINC000040162361 521971445 /nfs/dbraw/zinc/97/14/45/521971445.db2.gz ZUTBXAYOJRMLLX-ZDUSSCGKSA-N 0 1 416.890 2.967 50 30 HFEAMN COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000019883116 558301515 /nfs/dbraw/zinc/30/15/15/558301515.db2.gz MWWMMAYDFRBHRT-OAQYLSRUSA-N 0 1 422.481 2.606 50 30 HFEAMN Cc1cc([O-])c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccncc2)cc1C ZINC000020310023 558354851 /nfs/dbraw/zinc/35/48/51/558354851.db2.gz AQIRCAKKZDKWBO-FQEVSTJZSA-N 0 1 409.486 2.934 50 30 HFEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000013202713 558525414 /nfs/dbraw/zinc/52/54/14/558525414.db2.gz ZLPSLOTYOYURAO-SPLOXXLWSA-N 0 1 422.481 2.856 50 30 HFEAMN Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccnc1 ZINC000013691392 558855781 /nfs/dbraw/zinc/85/57/81/558855781.db2.gz LHMBWRXFSFBGSQ-LJQANCHMSA-N 0 1 403.442 2.605 50 30 HFEAMN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccncc1 ZINC000013691101 558855817 /nfs/dbraw/zinc/85/58/17/558855817.db2.gz GJUULWIMJYVERU-SFHVURJKSA-N 0 1 415.877 2.884 50 30 HFEAMN CC(C)c1n[nH]c(NC(=O)CNC(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000072402078 558937436 /nfs/dbraw/zinc/93/74/36/558937436.db2.gz LRXNYPWYUHAUTF-UHFFFAOYSA-N 0 1 405.890 2.701 50 30 HFEAMN CC(C)c1nc(NC(=O)CNC(=O)N2CCN(c3ccc(Cl)cc3)CC2)n[nH]1 ZINC000072402078 558937439 /nfs/dbraw/zinc/93/74/39/558937439.db2.gz LRXNYPWYUHAUTF-UHFFFAOYSA-N 0 1 405.890 2.701 50 30 HFEAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC=C3C(=O)CC(C)(C)CC3=O)cc2)n1 ZINC000100142966 559130440 /nfs/dbraw/zinc/13/04/40/559130440.db2.gz UTEUGHYEQFYZNN-UHFFFAOYSA-N 0 1 414.487 2.840 50 30 HFEAMN O=C1c2ccccc2C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000100938322 559142103 /nfs/dbraw/zinc/14/21/03/559142103.db2.gz RSRYOPMZNGIMCB-UHFFFAOYSA-N 0 1 406.423 2.652 50 30 HFEAMN O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCCO)[C@@H]1c1ccc(F)cc1 ZINC000005095074 559244935 /nfs/dbraw/zinc/24/49/35/559244935.db2.gz YLDNWBWTVKGRMH-QGZVFWFLSA-N 0 1 400.362 2.695 50 30 HFEAMN Oc1ccc(Cl)cc1C=NN=c1nc(N2CCCCC2)[nH]c(N2CCOCC2)n1 ZINC000005201221 560537318 /nfs/dbraw/zinc/53/73/18/560537318.db2.gz DSOQWKDZUBKELN-FYJGNVAPSA-N 0 1 417.901 2.504 50 30 HFEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCO)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102802351 560828749 /nfs/dbraw/zinc/82/87/49/560828749.db2.gz GINXJJRHXCSXOY-IBOXJLQUSA-N 0 1 402.790 2.662 50 30 HFEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000102890024 560832980 /nfs/dbraw/zinc/83/29/80/560832980.db2.gz ZPNHKJLFWSTXGE-ZFGYKHQWSA-N 0 1 422.481 2.699 50 30 HFEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000102881726 560833790 /nfs/dbraw/zinc/83/37/90/560833790.db2.gz LSSAJJPRHQAHBN-MRJHHRETSA-N 0 1 424.497 2.996 50 30 HFEAMN O=C(c1cccs1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1ccc(Cl)cc1 ZINC000102885187 560834131 /nfs/dbraw/zinc/83/41/31/560834131.db2.gz KSKJBSJNAVWPMZ-IBOXJLQUSA-N 0 1 407.875 2.832 50 30 HFEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102925804 560834337 /nfs/dbraw/zinc/83/43/37/560834337.db2.gz MFZCDHIHSSWHCT-WOOAAIBNSA-N 0 1 409.442 2.887 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1OC ZINC000020228166 568595210 /nfs/dbraw/zinc/59/52/10/568595210.db2.gz NELQYFQTDZIUHP-FQEVSTJZSA-N 0 1 410.470 2.844 50 30 HFEAMN CN(C)S(=O)(=O)NC[C@@H]1CCCN(Cc2ccccc2C#Cc2ccccc2)C1 ZINC000011662304 568992257 /nfs/dbraw/zinc/99/22/57/568992257.db2.gz AXDVWRVTTHMILJ-NRFANRHFSA-N 0 1 411.571 2.694 50 30 HFEAMN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000102876576 569042006 /nfs/dbraw/zinc/04/20/06/569042006.db2.gz GCNMYUKMRWPNLG-YDJIHCHBSA-N 0 1 410.445 2.580 50 30 HFEAMN N#CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1Cl ZINC000006658813 569083514 /nfs/dbraw/zinc/08/35/14/569083514.db2.gz KBOAHYCHBAZFKG-GERDJBSHSA-N 0 1 404.300 2.508 50 30 HFEAMN CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000006784147 569121389 /nfs/dbraw/zinc/12/13/89/569121389.db2.gz IIPJPHLPFVVDRV-WOOAAIBNSA-N 0 1 414.458 2.670 50 30 HFEAMN Cc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000012445253 569401496 /nfs/dbraw/zinc/40/14/96/569401496.db2.gz RDSNULJLPNMBKR-OQLLNIDSSA-N 0 1 408.483 2.998 50 30 HFEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@H]2c2cccs2)cc1 ZINC000009358382 571251453 /nfs/dbraw/zinc/25/14/53/571251453.db2.gz PFEOGIWYQOJPJE-SFHVURJKSA-N 0 1 417.483 2.734 50 30 HFEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(F)cc1 ZINC000102495425 527176455 /nfs/dbraw/zinc/17/64/55/527176455.db2.gz PYYAJGVSQXCFLV-QOJBNDRUSA-N 0 1 422.460 2.765 50 30 HFEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)OC12C(=O)c1ccccc1C2=O ZINC000000858157 557103411 /nfs/dbraw/zinc/10/34/11/557103411.db2.gz GBKDFDAHHDABQS-UHFFFAOYSA-N 0 1 413.179 2.819 50 30 HFEAMN CCOc1ccc(NC(=[NH2+])Nc2nc(CSc3nnc(C)s3)cc(=O)[n-]2)cc1 ZINC000002191143 557325166 /nfs/dbraw/zinc/32/51/66/557325166.db2.gz UAXHXLMDNJWYMK-UHFFFAOYSA-N 0 1 417.520 2.679 50 30 HFEAMN COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000019884667 558301797 /nfs/dbraw/zinc/30/17/97/558301797.db2.gz HYICJRKVYQOCJX-SFHVURJKSA-N 0 1 416.499 2.905 50 30 HFEAMN COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000019884669 558301866 /nfs/dbraw/zinc/30/18/66/558301866.db2.gz HYICJRKVYQOCJX-GOSISDBHSA-N 0 1 416.499 2.905 50 30 HFEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccn2)cc1 ZINC000020230412 558350202 /nfs/dbraw/zinc/35/02/02/558350202.db2.gz POWJYSRKYRLDSU-HXUWFJFHSA-N 0 1 407.470 2.786 50 30 HFEAMN Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000013691207 558855841 /nfs/dbraw/zinc/85/58/41/558855841.db2.gz OLMCECQFHBQXEZ-SFHVURJKSA-N 0 1 416.909 2.830 50 30 HFEAMN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccs1 ZINC000102489831 560811922 /nfs/dbraw/zinc/81/19/22/560811922.db2.gz AIEMMAGEWQQJBG-CQGUWYRNSA-N 0 1 424.526 2.996 50 30 HFEAMN O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCO)[C@H]1c1ccc(Cl)cc1 ZINC000102798513 560828096 /nfs/dbraw/zinc/82/80/96/560828096.db2.gz AONYRWFIYKSJHZ-UYTDBDHRSA-N 0 1 402.790 2.662 50 30 HFEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1 ZINC000102926861 560834510 /nfs/dbraw/zinc/83/45/10/560834510.db2.gz WJRYZHHFBOMRLD-ASBZNUFUSA-N 0 1 404.470 2.626 50 30 HFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(O)c1 ZINC000103993145 560846598 /nfs/dbraw/zinc/84/65/98/560846598.db2.gz CUSJNBOADVLYLT-BIKSHUFOSA-N 0 1 409.438 2.784 50 30 HFEAMN CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000020263056 568596383 /nfs/dbraw/zinc/59/63/83/568596383.db2.gz XWYMJWNEDGRWEQ-IBGZPJMESA-N 0 1 414.458 2.827 50 30 HFEAMN C=CCc1cc(OC)ccc1OC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000095543837 568936195 /nfs/dbraw/zinc/93/61/95/568936195.db2.gz MTNZJVCCXLWURQ-OAQYLSRUSA-N 0 1 412.530 2.994 50 30 HFEAMN C=C(Cl)Cn1c2cc(SC)ccc2cc(CN[C@@H]2CCS(=O)(=O)C2)c1=O ZINC000012217559 568994370 /nfs/dbraw/zinc/99/43/70/568994370.db2.gz RDRLYHFDALRGIS-OAHLLOKOSA-N 0 1 412.964 2.753 50 30 HFEAMN N#CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1 ZINC000006659978 569084082 /nfs/dbraw/zinc/08/40/82/569084082.db2.gz BLIARWDFBKRXQB-RRPDAFEBSA-N 0 1 404.300 2.508 50 30 HFEAMN C#CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000017193828 569276432 /nfs/dbraw/zinc/27/64/32/569276432.db2.gz DKWPBXUFSWFGAN-LFIBNONCSA-N 0 1 410.426 2.678 50 30 HFEAMN C[C@@]12CCC[C@]3(C)C[C@H]4OC(=O)[C@@H](CN5CCN(c6ccccn6)CC5)[C@H]4C[C@@]13O2 ZINC000012869615 132368064 /nfs/dbraw/zinc/36/80/64/132368064.db2.gz OYYYZYOJEOADLX-QZBNOGMOSA-N 0 1 411.546 2.873 50 30 biogenic HFEAMN C=CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)Nc3cccc(F)c3)co2)CC1 ZINC000034677179 518720600 /nfs/dbraw/zinc/72/06/00/518720600.db2.gz UZXKQUKPBNXBTO-GOSISDBHSA-N 0 1 402.470 2.511 50 30 HFEAMN Cc1cc(O)c(CN2CCN(CCO)CC2)c2c1C(=O)/C(=C/c1ccc(F)cc1)O2 ZINC000020591118 525313507 /nfs/dbraw/zinc/31/35/07/525313507.db2.gz CJDHEWSAENJCNJ-MOSHPQCFSA-N 0 1 412.461 2.566 50 30 HFEAMN O=C(C=Cc1ccco1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1 ZINC000020218882 526950955 /nfs/dbraw/zinc/95/09/55/526950955.db2.gz FQMHUIOOGBAWRV-JTSKXJFFSA-N 0 1 408.454 2.590 50 30 HFEAMN CCOC(=O)c1sc(NC(=O)C(N=Nc2cccc([N+](=O)[O-])c2)C(C)=O)nc1C ZINC000008385725 557785113 /nfs/dbraw/zinc/78/51/13/557785113.db2.gz HFSDIGOJVUMDLJ-BKUYFWCQSA-N 0 1 419.419 2.532 50 30 HFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000019861486 558298056 /nfs/dbraw/zinc/29/80/56/558298056.db2.gz KPOGCFNVCNAJJN-MRXNPFEDSA-N 0 1 401.444 2.796 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2)cc1 ZINC000020057203 558328748 /nfs/dbraw/zinc/32/87/48/558328748.db2.gz SFFSCTWHRCJGHG-FQEVSTJZSA-N 0 1 410.470 2.844 50 30 HFEAMN O=C(CN1c2ccccc2C(=O)CC1=C1C(=O)c2ccccc2C1=O)N1CCOCC1 ZINC000100430670 559135308 /nfs/dbraw/zinc/13/53/08/559135308.db2.gz PTELPTVUWPJKJS-UHFFFAOYSA-N 0 1 416.433 2.598 50 30 HFEAMN Cc1cc(NC[C@H]([C@@H]2CCOC2)N2CCOCC2)n2c3ccccc3nc2c1C#N ZINC000024204530 559277394 /nfs/dbraw/zinc/27/73/94/559277394.db2.gz WHURJHAJHBBEJP-DYESRHJHSA-N 0 1 405.502 2.817 50 30 HFEAMN COc1ccc(Cc2nnc(N[NH+]=Cc3ccc(N(C)C)cc3)[n-]c2=O)cc1OC ZINC000018213141 560784815 /nfs/dbraw/zinc/78/48/15/560784815.db2.gz ISHRDMBEQOQSON-LPYMAVHISA-N 0 1 408.462 2.697 50 30 HFEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102524185 560815983 /nfs/dbraw/zinc/81/59/83/560815983.db2.gz OYQNBMKTDACRSP-LFVOPCPISA-N 0 1 409.442 2.887 50 30 HFEAMN Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000102741059 560823582 /nfs/dbraw/zinc/82/35/82/560823582.db2.gz QZBPOIFPVYUIKO-SELCWUDQSA-N 0 1 416.909 2.674 50 30 HFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cn(C)c3ccccc23)[C@H]1c1cccnc1 ZINC000102747340 560824203 /nfs/dbraw/zinc/82/42/03/560824203.db2.gz GRWBEMNVIZFLKZ-YDJIHCHBSA-N 0 1 404.470 2.557 50 30 HFEAMN CN(C)CCN1C(=O)C(=O)C(C(=O)c2cn(C)c3ccccc23)[C@H]1c1cccnc1 ZINC000102747340 560824206 /nfs/dbraw/zinc/82/42/06/560824206.db2.gz GRWBEMNVIZFLKZ-YDJIHCHBSA-N 0 1 404.470 2.557 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)cc1F ZINC000102748687 560824344 /nfs/dbraw/zinc/82/43/44/560824344.db2.gz HXDLYUUZKUSWCQ-WOOAAIBNSA-N 0 1 416.424 2.957 50 30 HFEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000102890018 560832972 /nfs/dbraw/zinc/83/29/72/560832972.db2.gz ZPNHKJLFWSTXGE-QZKVPLAPSA-N 0 1 422.481 2.699 50 30 HFEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2)c1 ZINC000020228228 568595096 /nfs/dbraw/zinc/59/50/96/568595096.db2.gz NJXHCPMPKIBHTA-FQEVSTJZSA-N 0 1 410.470 2.844 50 30 HFEAMN O=C(Nc1nnc(S(=O)(=O)NCc2ccccc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000020486106 568613214 /nfs/dbraw/zinc/61/32/14/568613214.db2.gz DGUDHCCCKBBBAJ-UHFFFAOYSA-N 0 1 419.444 2.561 50 30 HFEAMN Cc1ccc(C)c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)c1 ZINC000020167890 569008010 /nfs/dbraw/zinc/00/80/10/569008010.db2.gz KVDMVXAGUBZUJJ-OAQYLSRUSA-N 0 1 421.497 2.609 50 30 HFEAMN COc1cccc(CN2CCN(Cc3ccc(C#CC(C)(C)O)cc3)C[C@@H]2CCO)c1 ZINC000019781950 569018405 /nfs/dbraw/zinc/01/84/05/569018405.db2.gz KBXDZVNIBTUINZ-DEOSSOPVSA-N 0 1 422.569 2.886 50 30 HFEAMN C[C@H](CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000035421897 569036246 /nfs/dbraw/zinc/03/62/46/569036246.db2.gz OVOLLCWDLQMNKH-LJQANCHMSA-N 0 1 404.514 2.626 50 30 HFEAMN N#CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl ZINC000006659670 569083903 /nfs/dbraw/zinc/08/39/03/569083903.db2.gz YKYANFPRXLAOPT-XRIVAGQSSA-N 0 1 404.300 2.508 50 30 HFEAMN C[C@@H](NC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1)c1ccccc1 ZINC000002377797 569389605 /nfs/dbraw/zinc/38/96/05/569389605.db2.gz HDRHTEBEVKCKSD-SJLPKXTDSA-N 0 1 401.470 2.951 50 30 HFEAMN COc1ccc(-c2nc(NCc3ccc(Cn4cncn4)cc3)[nH]c(=O)c2C#N)cc1 ZINC000040130031 571182031 /nfs/dbraw/zinc/18/20/31/571182031.db2.gz SQCWXAOXUTXQMG-UHFFFAOYSA-N 0 1 413.441 2.981 50 30 HFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@@H]2c2ccc(F)cc2)cc1F ZINC000016737238 523558185 /nfs/dbraw/zinc/55/81/85/523558185.db2.gz FTKXKGQLTFLFGI-GOSISDBHSA-N 0 1 403.381 2.934 50 30 HFEAMN Cc1ccc(C)c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)c1 ZINC000020167772 526257698 /nfs/dbraw/zinc/25/76/98/526257698.db2.gz WHUNKRYWLYXISO-NRFANRHFSA-N 0 1 421.497 2.609 50 30 HFEAMN O=C(Nc1cccc(S(=O)(=O)N=C2CCCN2)c1)c1cc(-c2ccccc2)n[nH]1 ZINC000023883326 527370120 /nfs/dbraw/zinc/37/01/20/527370120.db2.gz ULBCRRPDGJBLTP-UHFFFAOYSA-N 0 1 409.471 2.800 50 30 HFEAMN CS(=O)(=O)Nc1ccc(C(=N)NOC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000012369933 558389241 /nfs/dbraw/zinc/38/92/41/558389241.db2.gz KBKBOUBSRLAJTQ-UHFFFAOYSA-N 0 1 416.381 2.946 50 30 HFEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOCCO)[C@H]2c2ccccc2)cc1 ZINC000013127441 558519008 /nfs/dbraw/zinc/51/90/08/558519008.db2.gz WQANCWNVWJPLFW-FQEVSTJZSA-N 0 1 411.454 2.673 50 30 HFEAMN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@H](C)O)cc1OC ZINC000017746677 558827781 /nfs/dbraw/zinc/82/77/81/558827781.db2.gz AQIJGTCOJADQRP-XOBRGWDASA-N 0 1 411.454 2.971 50 30 HFEAMN CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCC[C@H](C(=O)OCC)C1 ZINC000004854966 559192460 /nfs/dbraw/zinc/19/24/60/559192460.db2.gz KJMOEEKHHFTNGU-IRXDYDNUSA-N 0 1 423.517 2.933 50 30 HFEAMN COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)c1OC ZINC000005576928 560624726 /nfs/dbraw/zinc/62/47/26/560624726.db2.gz ACAOUJQUZNBZLK-WOOAAIBNSA-N 0 1 410.470 2.687 50 30 HFEAMN COc1ccccc1[C@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1CCN(C)C ZINC000017856885 560729522 /nfs/dbraw/zinc/72/95/22/560729522.db2.gz VFYMZSXIMJZJDK-KRWDZBQOSA-N 0 1 415.515 2.908 50 30 HFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102496911 560812438 /nfs/dbraw/zinc/81/24/38/560812438.db2.gz ZATHXPRYRPSEOT-SELCWUDQSA-N 0 1 412.398 2.672 50 30 HFEAMN Cc1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCN(C)C)o1 ZINC000102503935 560812723 /nfs/dbraw/zinc/81/27/23/560812723.db2.gz XOBQATISFBSLDI-WENBPLFZSA-N 0 1 408.458 2.527 50 30 HFEAMN Cc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCN(C)C)o1 ZINC000102511395 560815138 /nfs/dbraw/zinc/81/51/38/560815138.db2.gz HUSLRNFNMGXNPS-ZMESVYRVSA-N 0 1 422.485 2.836 50 30 HFEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(F)c2)s1 ZINC000102521220 560815894 /nfs/dbraw/zinc/81/58/94/560815894.db2.gz PNDWSJZUTHVVLY-UYTDBDHRSA-N 0 1 403.479 2.882 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)c(OC)c1 ZINC000102744396 560823799 /nfs/dbraw/zinc/82/37/99/560823799.db2.gz TVVAMKYVOMQOEE-NHFXJNLRSA-N 0 1 410.470 2.687 50 30 HFEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCO)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102802352 560828784 /nfs/dbraw/zinc/82/87/84/560828784.db2.gz GINXJJRHXCSXOY-UYTDBDHRSA-N 0 1 402.790 2.662 50 30 HFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(O)c1 ZINC000103993149 560846581 /nfs/dbraw/zinc/84/65/81/560846581.db2.gz CUSJNBOADVLYLT-PLXCXRCESA-N 0 1 409.438 2.784 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1OC ZINC000020228163 568595123 /nfs/dbraw/zinc/59/51/23/568595123.db2.gz NELQYFQTDZIUHP-HXUWFJFHSA-N 0 1 410.470 2.844 50 30 HFEAMN C=CCN1C(=O)NC(=O)/C(=C\c2cc(Br)c(OCC)c(OCC)c2)C1=O ZINC000015008712 569004253 /nfs/dbraw/zinc/00/42/53/569004253.db2.gz RSGGXPWXUHSQQG-XYOKQWHBSA-N 0 1 423.263 2.894 50 30 HFEAMN Cc1ccc(C)c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)c1 ZINC000020167769 569008001 /nfs/dbraw/zinc/00/80/01/569008001.db2.gz WHUNKRYWLYXISO-OAQYLSRUSA-N 0 1 421.497 2.609 50 30 HFEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000006812717 569136627 /nfs/dbraw/zinc/13/66/27/569136627.db2.gz QCFZSOQAUSVSBJ-GHNGSUTGSA-N 0 1 416.499 2.749 50 30 HFEAMN CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCC(C(N)=O)CC1 ZINC000002218169 569311642 /nfs/dbraw/zinc/31/16/42/569311642.db2.gz UHDOZEMWVGTXFN-KRWDZBQOSA-N 0 1 422.533 2.635 50 30 HFEAMN Cc1c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccco2)cnn1-c1ccccc1 ZINC000013122789 569409566 /nfs/dbraw/zinc/40/95/66/569409566.db2.gz OCONTBZGGKOEKY-HXUWFJFHSA-N 0 1 420.469 2.914 50 30 HFEAMN COc1ccc(-c2nc(NCc3cccnc3N3CCOCC3)[nH]c(=O)c2C#N)cc1 ZINC000040130064 571182011 /nfs/dbraw/zinc/18/20/11/571182011.db2.gz RNJRYMKTKSAGSU-UHFFFAOYSA-N 0 1 418.457 2.573 50 30 HFEAMN CN1CCO[C@H](CN(CCOc2ccccc2C#N)CCOc2ccccc2C#N)C1 ZINC000069917708 571249717 /nfs/dbraw/zinc/24/97/17/571249717.db2.gz CGWQWGJTYSFJOS-QFIPXVFZSA-N 0 1 420.513 2.520 50 30 HFEAMN CC(C)(C)OC(=O)N1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(OCC#N)cc32)CC1 ZINC000040286208 518811135 /nfs/dbraw/zinc/81/11/35/518811135.db2.gz WRJQNINALACWEF-GOSISDBHSA-N 0 1 414.462 2.749 50 30 HFEAMN COc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)C(=O)C(=O)N2CCOCCO)cc1 ZINC000004649774 557575571 /nfs/dbraw/zinc/57/55/71/557575571.db2.gz UIFQQHCPYHUYST-CGIBVWHJSA-N 0 1 423.465 2.682 50 30 HFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000005045092 557629286 /nfs/dbraw/zinc/62/92/86/557629286.db2.gz VRQZPGHULBWHEB-IBGZPJMESA-N 0 1 413.426 2.634 50 30 HFEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@H](C)O)c1 ZINC000005409055 557651985 /nfs/dbraw/zinc/65/19/85/557651985.db2.gz VKIGSOLUEUBDGP-VBKZILBWSA-N 0 1 411.454 2.971 50 30 HFEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@H](C)O)c(OC)c1 ZINC000008557142 557794934 /nfs/dbraw/zinc/79/49/34/557794934.db2.gz PGLLYFSHOQHGQP-VBKZILBWSA-N 0 1 411.454 2.971 50 30 HFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000009009918 557818873 /nfs/dbraw/zinc/81/88/73/557818873.db2.gz QREVOHQHMJNCFF-HXUWFJFHSA-N 0 1 410.470 2.722 50 30 HFEAMN Cn1c2nc(NN=Cc3ccccc3Cl)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000009327426 557837247 /nfs/dbraw/zinc/83/72/47/557837247.db2.gz KAEWQFRCORDYGU-FSJBWODESA-N 0 1 422.876 2.581 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000019928128 558308614 /nfs/dbraw/zinc/30/86/14/558308614.db2.gz VRWDOKXKDRNKAR-HXUWFJFHSA-N 0 1 410.470 2.844 50 30 HFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 ZINC000020192998 558344775 /nfs/dbraw/zinc/34/47/75/558344775.db2.gz HGWLDXZGGJJELP-FQEVSTJZSA-N 0 1 408.454 2.598 50 30 HFEAMN CCCCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)([O-])OCC[N+](C)(C)C ZINC000032789157 558755800 /nfs/dbraw/zinc/75/58/00/558755800.db2.gz SECPDKKEUKDCPG-QGZVFWFLSA-O 0 1 412.484 2.871 50 30 endogenous,in-man HFEAMN Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)c(C)n1 ZINC000013691090 558855742 /nfs/dbraw/zinc/85/57/42/558855742.db2.gz CCZUYAHCVGGUSC-SFHVURJKSA-N 0 1 414.893 2.887 50 30 HFEAMN CC(C)Cc1nc(NC(=O)CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)n[nH]1 ZINC000072401322 558936073 /nfs/dbraw/zinc/93/60/73/558936073.db2.gz RONATECDZSIFPF-UHFFFAOYSA-N 0 1 419.917 2.776 50 30 HFEAMN CC(C)Cc1n[nH]c(NC(=O)CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000072401322 558936075 /nfs/dbraw/zinc/93/60/75/558936075.db2.gz RONATECDZSIFPF-UHFFFAOYSA-N 0 1 419.917 2.776 50 30 HFEAMN COc1c2c(cc(CCN(C)C(=S)NCCc3ccccc3)c1/C=N/O)OCO2 ZINC000100765424 559265066 /nfs/dbraw/zinc/26/50/66/559265066.db2.gz JZCMZHHYMOUSSK-YDZHTSKRSA-N 0 1 415.515 2.824 50 30 biogenic HFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102496921 560812410 /nfs/dbraw/zinc/81/24/10/560812410.db2.gz ZATHXPRYRPSEOT-GHNGSUTGSA-N 0 1 412.398 2.672 50 30 HFEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)c1OC ZINC000102719778 560823544 /nfs/dbraw/zinc/82/35/44/560823544.db2.gz ZZAMFDILBGQDCU-YDJIHCHBSA-N 0 1 424.497 2.996 50 30 HFEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102803406 560826487 /nfs/dbraw/zinc/82/64/87/560826487.db2.gz DCMOGPZVCGUTCT-GROYHEBESA-N 0 1 408.366 2.989 50 30 HFEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2F)s1 ZINC000102876086 560830781 /nfs/dbraw/zinc/83/07/81/560830781.db2.gz JDHIDHVTWVOFFD-IBOXJLQUSA-N 0 1 403.479 2.882 50 30 HFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102863943 560832456 /nfs/dbraw/zinc/83/24/56/560832456.db2.gz MPXYJPKAGKFDLW-IBOXJLQUSA-N 0 1 401.444 2.640 50 30 HFEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)cc1 ZINC000102878814 560833540 /nfs/dbraw/zinc/83/35/40/560833540.db2.gz MHLIJCCWAKHZJF-YDJIHCHBSA-N 0 1 409.486 2.854 50 30 HFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(O)c1 ZINC000103993140 560846526 /nfs/dbraw/zinc/84/65/26/560846526.db2.gz CUSJNBOADVLYLT-HHMRMRSTSA-N 0 1 409.438 2.784 50 30 HFEAMN N#Cc1ccnc(N2CCN(CCC(=O)Nc3ccc(Br)cc3)CC2)c1 ZINC000047860076 568431474 /nfs/dbraw/zinc/43/14/74/568431474.db2.gz SJOKSXLHLJAIFO-UHFFFAOYSA-N 0 1 414.307 2.867 50 30 HFEAMN N#CC(C(=O)NCCN1CCOCC1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000095455161 568616683 /nfs/dbraw/zinc/61/66/83/568616683.db2.gz RPVMHDDYXBBLIQ-DQYWGJDHSA-N 0 1 414.575 2.666 50 30 HFEAMN COc1ccc(OCCN2CCN(CCC(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000028883378 568812475 /nfs/dbraw/zinc/81/24/75/568812475.db2.gz SQOQIGXODYDLRO-UHFFFAOYSA-N 0 1 408.502 2.592 50 30 HFEAMN C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](N(C)Cc1cc(C)no1)C2 ZINC000014541653 569003085 /nfs/dbraw/zinc/00/30/85/569003085.db2.gz OWSIGAIDZVPUPE-INIZCTEOSA-N 0 1 415.563 2.544 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)cc1Cl ZINC000020168764 569007959 /nfs/dbraw/zinc/00/79/59/569007959.db2.gz RTSZJMBFIHOOFD-GOSISDBHSA-N 0 1 415.877 2.884 50 30 HFEAMN C=CCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681667 569127817 /nfs/dbraw/zinc/12/78/17/569127817.db2.gz UQTJYHQGCNNKML-GMAHTHKFSA-N 0 1 409.505 3.000 50 30 HFEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000006812698 569136610 /nfs/dbraw/zinc/13/66/10/569136610.db2.gz QCFZSOQAUSVSBJ-SELCWUDQSA-N 0 1 416.499 2.749 50 30 HFEAMN COC(=O)c1c(/N=C/c2cc([N+](=O)[O-])cc(OC)c2O)sc2c1CCN(C)C2 ZINC000002309004 569372755 /nfs/dbraw/zinc/37/27/55/569372755.db2.gz GWSVIZDMZUENNI-UFWORHAWSA-N 0 1 405.432 2.896 50 30 HFEAMN C=CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc(C)c(C)c3)co2)CC1 ZINC000034677304 518718330 /nfs/dbraw/zinc/71/83/30/518718330.db2.gz JQWDCSHURWHTEM-HXUWFJFHSA-N 0 1 412.534 2.988 50 30 HFEAMN C=CCN1C(=O)NC(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C1=O ZINC000000682036 518839284 /nfs/dbraw/zinc/83/92/84/518839284.db2.gz NFQKVQHZKLUCOB-UYRXBGFRSA-N 0 1 419.437 2.660 50 30 HFEAMN C=CCOC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036249773 518991232 /nfs/dbraw/zinc/99/12/32/518991232.db2.gz WJDJTAQTASIQRQ-HXUWFJFHSA-N 0 1 415.534 2.954 50 30 HFEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccnc1 ZINC000000703052 557062796 /nfs/dbraw/zinc/06/27/96/557062796.db2.gz IOPVCVGKPQTQJE-OXJNMPFZSA-N 0 1 422.437 2.610 50 30 HFEAMN COc1cc(-c2n[nH]c(=S)n2N=Cc2ccc(O)cc2O)cc(OC)c1OC ZINC000005795171 557674909 /nfs/dbraw/zinc/67/49/09/557674909.db2.gz IJGIDLCNRUTABR-DJKKODMXSA-N 0 1 402.432 2.927 50 30 HFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000009009919 557818905 /nfs/dbraw/zinc/81/89/05/557818905.db2.gz QREVOHQHMJNCFF-FQEVSTJZSA-N 0 1 410.470 2.722 50 30 HFEAMN C[C@@H]1C(=O)N(CN2CCCN(Cc3ccc(C#N)cc3)CC2)C(=O)N1c1ccccc1 ZINC000022913794 557857756 /nfs/dbraw/zinc/85/77/56/557857756.db2.gz ZAVIFMGTLPGSHI-LJQANCHMSA-N 0 1 417.513 2.881 50 30 HFEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(F)c1 ZINC000019898494 558304345 /nfs/dbraw/zinc/30/43/45/558304345.db2.gz WYJXMXJACIVMKA-FQEVSTJZSA-N 0 1 410.445 2.736 50 30 HFEAMN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000017161266 558824366 /nfs/dbraw/zinc/82/43/66/558824366.db2.gz CBGKMEMFIWMOIU-HXUWFJFHSA-N 0 1 410.445 2.736 50 30 HFEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@@H](C)O)c1 ZINC000018083003 558830850 /nfs/dbraw/zinc/83/08/50/558830850.db2.gz VKIGSOLUEUBDGP-VLIAUNLRSA-N 0 1 411.454 2.971 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)c(OC)c1 ZINC000013731272 558861151 /nfs/dbraw/zinc/86/11/51/558861151.db2.gz MJWKKYSIZCUDRJ-FQEVSTJZSA-N 0 1 410.470 2.844 50 30 HFEAMN C[NH+]=C(Nc1ccc(F)cc1)S[C@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000102437494 559150404 /nfs/dbraw/zinc/15/04/04/559150404.db2.gz ZBKYBZIQQUOCHA-HNNXBMFYSA-N 0 1 401.419 2.796 50 30 HFEAMN COc1cc(C=Nn2cc([O-])c(-c3nc4ccccc4s3)c2N)cc(OC)c1OC ZINC000018090448 560774923 /nfs/dbraw/zinc/77/49/23/560774923.db2.gz ZIJMTOQQDIDDGM-AUEPDCJTSA-N 0 1 424.482 2.868 50 30 HFEAMN COc1cc(C=NN2CC(=O)C(c3nc4ccccc4s3)=C2N)cc(OC)c1OC ZINC000018090448 560774924 /nfs/dbraw/zinc/77/49/24/560774924.db2.gz ZIJMTOQQDIDDGM-AUEPDCJTSA-N 0 1 424.482 2.868 50 30 HFEAMN CCCCCCCCN1C(=O)C(=C(C)NCCC[NH+]2CCCC2)C(=O)[N-]C1=S ZINC000101151886 560787065 /nfs/dbraw/zinc/78/70/65/560787065.db2.gz KQYVTYCODGDLGA-ZCXUNETKSA-N 0 1 408.612 2.940 50 30 HFEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccs1 ZINC000102486179 560811741 /nfs/dbraw/zinc/81/17/41/560811741.db2.gz VRJHGACGPYORIT-BDBAMQCISA-N 0 1 410.499 2.688 50 30 HFEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(C)cc1 ZINC000102502585 560812763 /nfs/dbraw/zinc/81/27/63/560812763.db2.gz MINMAEIHVRNWNG-OBVHCKHUSA-N 0 1 418.497 2.934 50 30 HFEAMN COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)c1OC ZINC000102522605 560816039 /nfs/dbraw/zinc/81/60/39/560816039.db2.gz QCPNGAXTDPRDME-GHNGSUTGSA-N 0 1 414.458 2.589 50 30 HFEAMN Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccc(Cl)c1 ZINC000102735089 560822855 /nfs/dbraw/zinc/82/28/55/560822855.db2.gz CGXDAMXQMGEXKG-HVESIFNPSA-N 0 1 402.882 2.663 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)c(OC)c1 ZINC000102744393 560823782 /nfs/dbraw/zinc/82/37/82/560823782.db2.gz TVVAMKYVOMQOEE-YDJIHCHBSA-N 0 1 410.470 2.687 50 30 HFEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)cc1 ZINC000102865200 560832595 /nfs/dbraw/zinc/83/25/95/560832595.db2.gz SOTQBSPEAKUXKY-NHFXJNLRSA-N 0 1 409.486 2.854 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)cc2)cc1C ZINC000103899865 560844869 /nfs/dbraw/zinc/84/48/69/560844869.db2.gz AGLPVVYBWCYDIA-NHFXJNLRSA-N 0 1 410.470 2.693 50 30 HFEAMN Cc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCN(C)C)o1 ZINC000020219501 568594917 /nfs/dbraw/zinc/59/49/17/568594917.db2.gz PYSOUIWBIPMPOH-IBGZPJMESA-N 0 1 408.458 2.684 50 30 HFEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2)c1 ZINC000020228231 568595200 /nfs/dbraw/zinc/59/52/00/568595200.db2.gz NJXHCPMPKIBHTA-HXUWFJFHSA-N 0 1 410.470 2.844 50 30 HFEAMN C[C@@]12CCC[C@]3(C)C[C@H]4OC(=O)[C@H](CN5CCN(c6ccccn6)CC5)[C@H]4C[C@@]13O2 ZINC000004081213 568939031 /nfs/dbraw/zinc/93/90/31/568939031.db2.gz OYYYZYOJEOADLX-UZYDVJNXSA-N 0 1 411.546 2.873 50 30 biogenic HFEAMN C=C(C)CN1c2ccccc2[C@@]2(N[C@H](C)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000217612211 569039088 /nfs/dbraw/zinc/03/90/88/569039088.db2.gz GZGMLSAYZDFQMJ-CAMXOCNWSA-N 0 1 415.493 2.598 50 30 HFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(O)c1 ZINC000006411913 569046820 /nfs/dbraw/zinc/04/68/20/569046820.db2.gz PPRXGTSIFQMIAG-XCLFUZPHSA-N 0 1 409.438 2.940 50 30 biogenic HFEAMN COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000013004816 569406535 /nfs/dbraw/zinc/40/65/35/569406535.db2.gz FPBXZRVDTNPQOW-QGZVFWFLSA-N 0 1 415.515 2.908 50 30 HFEAMN COc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)c1 ZINC000013161748 569410180 /nfs/dbraw/zinc/41/01/80/569410180.db2.gz DZJQIZPQPAYGRB-QGZVFWFLSA-N 0 1 415.515 2.908 50 30 HFEAMN COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009328492 571248356 /nfs/dbraw/zinc/24/83/56/571248356.db2.gz AZZXCHVVGZFIED-NHFXJNLRSA-N 0 1 410.470 2.687 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(O)c2)cc1F ZINC000024116798 523555492 /nfs/dbraw/zinc/55/54/92/523555492.db2.gz FKOWFIGORCSDFB-IBGZPJMESA-N 0 1 414.433 2.680 50 30 HFEAMN O=C([N-]S(=O)(=O)Oc1ccc(F)cc1F)OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000019857019 558296367 /nfs/dbraw/zinc/29/63/67/558296367.db2.gz WSGRHAOQCLAGOG-WFASDCNBSA-N 0 1 404.435 2.784 50 30 HFEAMN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000019898731 558304491 /nfs/dbraw/zinc/30/44/91/558304491.db2.gz VBCYCDUTZHTKBJ-HXUWFJFHSA-N 0 1 410.445 2.736 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)cc1OC ZINC000020135292 558337528 /nfs/dbraw/zinc/33/75/28/558337528.db2.gz OTGWNADWWLBVDG-GOSISDBHSA-N 0 1 416.499 2.905 50 30 HFEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@@H](C)O)c1 ZINC000018007503 558829483 /nfs/dbraw/zinc/82/94/83/558829483.db2.gz VKIGSOLUEUBDGP-JLTOFOAXSA-N 0 1 411.454 2.971 50 30 HFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cn(C)c3ccccc23)[C@H]1c1ccncc1 ZINC000013690870 558855814 /nfs/dbraw/zinc/85/58/14/558855814.db2.gz IZDWESAYZKSVDQ-HXUWFJFHSA-N 0 1 404.470 2.713 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000005445211 560588097 /nfs/dbraw/zinc/58/80/97/560588097.db2.gz ZHFNKPSREUXHQQ-MRJHHRETSA-N 0 1 423.513 2.745 50 30 HFEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccs1 ZINC000005595939 560628506 /nfs/dbraw/zinc/62/85/06/560628506.db2.gz VNUCELZOJNAESX-SELCWUDQSA-N 0 1 416.474 2.641 50 30 HFEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)c1OC ZINC000102522612 560816005 /nfs/dbraw/zinc/81/60/05/560816005.db2.gz QCPNGAXTDPRDME-SELCWUDQSA-N 0 1 414.458 2.589 50 30 HFEAMN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccccn1 ZINC000102738589 560824766 /nfs/dbraw/zinc/82/47/66/560824766.db2.gz WTEIZKDRZOMVCU-SELCWUDQSA-N 0 1 415.877 2.727 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)cc1OC ZINC000005799865 568735232 /nfs/dbraw/zinc/73/52/32/568735232.db2.gz RUSSFKPZLJPZCA-SELCWUDQSA-N 0 1 416.499 2.749 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1OC ZINC000005799890 568735468 /nfs/dbraw/zinc/73/54/68/568735468.db2.gz QBGOUWSPACNXBU-NHFXJNLRSA-N 0 1 410.470 2.687 50 30 HFEAMN C=CCN1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C1=O ZINC000015008706 568736117 /nfs/dbraw/zinc/73/61/17/568736117.db2.gz NFQKVQHZKLUCOB-CPNJWEJPSA-N 0 1 419.437 2.660 50 30 HFEAMN N#Cc1c2c3c(O)cn(Cc4ccccc4)c3nc(N)c2c(N)nc1N1CCCCC1 ZINC000025572181 568822298 /nfs/dbraw/zinc/82/22/98/568822298.db2.gz VOHHMCOBDPIUMA-UHFFFAOYSA-N 0 1 413.485 2.859 50 30 HFEAMN C=CCN1c2ccccc2[C@@]2(N[C@H](CC(C)C)[C@H]3C(=O)N(CCCC)C(=O)[C@@H]32)C1=O ZINC000245238003 569055264 /nfs/dbraw/zinc/05/52/64/569055264.db2.gz CCPFXTOFIDHMBG-JSAFQYNZSA-N 0 1 409.530 2.834 50 30 HFEAMN N#CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1Cl ZINC000006659692 569083935 /nfs/dbraw/zinc/08/39/35/569083935.db2.gz SIAWFUYXQJVGAG-ZHCQSXIZSA-N 0 1 404.300 2.508 50 30 HFEAMN CN1CCO[C@@H](CN(CCOc2cccc(C#N)c2)CCOc2cccc(C#N)c2)C1 ZINC000069899155 571248546 /nfs/dbraw/zinc/24/85/46/571248546.db2.gz UVPCMYUYPFTICS-XMMPIXPASA-N 0 1 420.513 2.520 50 30 HFEAMN CN1CCO[C@@H](CN(CCOc2ccccc2C#N)CCOc2ccccc2C#N)C1 ZINC000069917711 571249714 /nfs/dbraw/zinc/24/97/14/571249714.db2.gz CGWQWGJTYSFJOS-JOCHJYFZSA-N 0 1 420.513 2.520 50 30 HFEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)o1 ZINC000009403693 571254965 /nfs/dbraw/zinc/25/49/65/571254965.db2.gz CHMSLHYHVMBALW-UZTOYTNDSA-N 0 1 410.470 2.895 50 30 HFEAMN CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(C)CC1 ZINC000004135822 132272133 /nfs/dbraw/zinc/27/21/33/132272133.db2.gz UVSVJMGTGSVKLT-UHFFFAOYSA-N 0 1 405.502 2.915 50 30 HFEAMN C=CCC[C@H](O)CN1CCN(Cc2nc(C(=O)Nc3cccc(F)c3)co2)CC1 ZINC000034677178 518727250 /nfs/dbraw/zinc/72/72/50/518727250.db2.gz UZXKQUKPBNXBTO-SFHVURJKSA-N 0 1 402.470 2.511 50 30 HFEAMN CN(C)S(=O)(=O)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C)ccc1Cl ZINC000040162362 521972622 /nfs/dbraw/zinc/97/26/22/521972622.db2.gz ZUTBXAYOJRMLLX-CYBMUJFWSA-N 0 1 416.890 2.967 50 30 HFEAMN Cc1cc(O)c(CN2CCN(CCO)CC2)c2c1C(=O)/C(=C/c1ccccc1F)O2 ZINC000020589939 525313559 /nfs/dbraw/zinc/31/35/59/525313559.db2.gz JMIKPDFVWJEHSK-MOSHPQCFSA-N 0 1 412.461 2.566 50 30 HFEAMN COc1ccccc1-n1c(O)cc(SC(N)=NN=C(C)c2ccc(F)cc2)c1O ZINC000005073752 557633957 /nfs/dbraw/zinc/63/39/57/557633957.db2.gz UHASGACHYKACSK-FZJZADEZSA-N 0 1 414.462 2.938 50 30 HFEAMN COc1ccc(C(=O)Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]c2=O)c(OC)c1 ZINC000020156440 558342184 /nfs/dbraw/zinc/34/21/84/558342184.db2.gz REVZYQFRTWLSOG-MDWZMJQESA-N 0 1 414.330 2.651 50 30 HFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 ZINC000020193001 558344792 /nfs/dbraw/zinc/34/47/92/558344792.db2.gz HGWLDXZGGJJELP-HXUWFJFHSA-N 0 1 408.454 2.598 50 30 HFEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)cc1 ZINC000020231671 558350113 /nfs/dbraw/zinc/35/01/13/558350113.db2.gz CXXCNHPCJLHSFM-FQEVSTJZSA-N 0 1 407.470 2.786 50 30 HFEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccn2)cc1 ZINC000020230409 558350179 /nfs/dbraw/zinc/35/01/79/558350179.db2.gz POWJYSRKYRLDSU-FQEVSTJZSA-N 0 1 407.470 2.786 50 30 HFEAMN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)c(OC)c1 ZINC000018181653 558832936 /nfs/dbraw/zinc/83/29/36/558832936.db2.gz JVGMFCDGNLYCOB-HXUWFJFHSA-N 0 1 410.470 2.844 50 30 biogenic HFEAMN Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000013724243 558860296 /nfs/dbraw/zinc/86/02/96/558860296.db2.gz JZDHJNOCHZYPFB-KRWDZBQOSA-N 0 1 402.882 2.820 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000011917653 559267957 /nfs/dbraw/zinc/26/79/57/559267957.db2.gz LESGELDQYKVWDJ-GOSISDBHSA-N 0 1 417.845 2.928 50 30 HFEAMN Cc1cc(NC[C@H]([C@H]2CCOC2)N2CCOCC2)n2c3ccccc3nc2c1C#N ZINC000024204539 559277432 /nfs/dbraw/zinc/27/74/32/559277432.db2.gz WHURJHAJHBBEJP-LAUBAEHRSA-N 0 1 405.502 2.817 50 30 HFEAMN COC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CCCC2)CC1 ZINC000005234713 560548112 /nfs/dbraw/zinc/54/81/12/560548112.db2.gz YJTNQCALBJMORN-QGZVFWFLSA-N 0 1 421.501 2.685 50 30 HFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000005489619 560597868 /nfs/dbraw/zinc/59/78/68/560597868.db2.gz LYZZJJNPZDZMTH-GHNGSUTGSA-N 0 1 413.405 2.717 50 30 HFEAMN Cc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCN(C)C)o1 ZINC000102503943 560812718 /nfs/dbraw/zinc/81/27/18/560812718.db2.gz XOBQATISFBSLDI-ZMESVYRVSA-N 0 1 408.458 2.527 50 30 HFEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccn2)cc1 ZINC000102703653 560820517 /nfs/dbraw/zinc/82/05/17/560820517.db2.gz JDTNSRXTENYKNZ-NHFXJNLRSA-N 0 1 409.486 2.854 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2F)cc1F ZINC000102734968 560822761 /nfs/dbraw/zinc/82/27/61/560822761.db2.gz TXMAWPFDHYJIAR-WOOAAIBNSA-N 0 1 416.424 2.957 50 30 HFEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccc1 ZINC000102873199 560830330 /nfs/dbraw/zinc/83/03/30/560830330.db2.gz IFIJFRGNLFUGPP-JBCNATCCSA-N 0 1 424.472 2.970 50 30 HFEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)cc1 ZINC000102878810 560833504 /nfs/dbraw/zinc/83/35/04/560833504.db2.gz MHLIJCCWAKHZJF-NHFXJNLRSA-N 0 1 409.486 2.854 50 30 HFEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020264066 568596284 /nfs/dbraw/zinc/59/62/84/568596284.db2.gz KEMAPWJIWRLBEJ-GOSISDBHSA-N 0 1 416.499 2.905 50 30 HFEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2OC)c1 ZINC000005799883 568735247 /nfs/dbraw/zinc/73/52/47/568735247.db2.gz HRVWORLLEVKHEZ-YDJIHCHBSA-N 0 1 410.470 2.687 50 30 HFEAMN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)c(OC)c1 ZINC000004311192 568960766 /nfs/dbraw/zinc/96/07/66/568960766.db2.gz PBYPPGHMPQABBZ-NHFXJNLRSA-N 0 1 410.470 2.687 50 30 HFEAMN C#CCN(Cc1ccco1)Cc1ccccc1OC[C@@H](O)CN1CCSCC1 ZINC000011878639 568992470 /nfs/dbraw/zinc/99/24/70/568992470.db2.gz IYPSTQCPBHQTQU-FQEVSTJZSA-N 0 1 400.544 2.704 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)cc1Cl ZINC000020168767 569007977 /nfs/dbraw/zinc/00/79/77/569007977.db2.gz RTSZJMBFIHOOFD-SFHVURJKSA-N 0 1 415.877 2.884 50 30 HFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccs1 ZINC000006412333 569046868 /nfs/dbraw/zinc/04/68/68/569046868.db2.gz WCNYJIXSGRXONZ-GHNGSUTGSA-N 0 1 414.483 2.503 50 30 HFEAMN N#CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1Cl ZINC000006658814 569083532 /nfs/dbraw/zinc/08/35/32/569083532.db2.gz KBOAHYCHBAZFKG-ONYLCFQQSA-N 0 1 404.300 2.508 50 30 HFEAMN Cc1ccc(OS(=O)(=O)c2ccccc2)c(C=NN=C2NC(=O)C(C)S2)c1 ZINC000252628123 569311221 /nfs/dbraw/zinc/31/12/21/569311221.db2.gz SIMURZMYWZAWSJ-ZDUSSCGKSA-N 0 1 403.485 2.704 50 30 HFEAMN C[C@@H](NC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1)c1ccccc1 ZINC000002377793 569389611 /nfs/dbraw/zinc/38/96/11/569389611.db2.gz HDRHTEBEVKCKSD-AEFFLSMTSA-N 0 1 401.470 2.951 50 30 HFEAMN Cc1csc([C@@H](C#N)C(=O)COC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)n1 ZINC000009534243 571267121 /nfs/dbraw/zinc/26/71/21/571267121.db2.gz OYISRHLOTUVIBZ-WMZOPIPTSA-N 0 1 413.499 2.934 50 30 HFEAMN Cc1csc(C(C#N)C(=O)COC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)n1 ZINC000009534243 571267123 /nfs/dbraw/zinc/26/71/23/571267123.db2.gz OYISRHLOTUVIBZ-WMZOPIPTSA-N 0 1 413.499 2.934 50 30 HFEAMN N#Cc1ccc(C(=O)N(CCC(=O)N2CCNCC2)Cc2cccc(Cl)c2)cc1 ZINC000045966945 526588901 /nfs/dbraw/zinc/58/89/01/526588901.db2.gz JOYQGWWDHGZAIT-UHFFFAOYSA-N 0 1 410.905 2.676 50 30 HFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000006691021 557715327 /nfs/dbraw/zinc/71/53/27/557715327.db2.gz KJXALNRITWRPJS-GOSISDBHSA-N 0 1 412.398 2.828 50 30 HFEAMN O=C(c1cccs1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000006813628 557724582 /nfs/dbraw/zinc/72/45/82/557724582.db2.gz GKKSRIBQCIDNPV-SFHVURJKSA-N 0 1 416.474 2.798 50 30 HFEAMN CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2C#N)N2CCCC2)cc1 ZINC000004330522 558262288 /nfs/dbraw/zinc/26/22/88/558262288.db2.gz VUJGIJRWJMTUPG-OAQYLSRUSA-N 0 1 405.502 2.516 50 30 HFEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000019788869 558281916 /nfs/dbraw/zinc/28/19/16/558281916.db2.gz BRNDBUVETYXULA-HXUWFJFHSA-N 0 1 410.470 2.844 50 30 HFEAMN COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)c1OC ZINC000020057812 558329030 /nfs/dbraw/zinc/32/90/30/558329030.db2.gz NKPURKCSWKKHGD-LJQANCHMSA-N 0 1 410.470 2.844 50 30 HFEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOCCO)[C@H]2c2ccccc2)cc1 ZINC000016741350 558803500 /nfs/dbraw/zinc/80/35/00/558803500.db2.gz YTHVHQSSPSMIAX-NRFANRHFSA-N 0 1 423.465 2.839 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)cc2)cc1C ZINC000017124160 558823269 /nfs/dbraw/zinc/82/32/69/558823269.db2.gz YKHPSJFRMMKLPX-HXUWFJFHSA-N 0 1 410.470 2.849 50 30 biogenic HFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cn(C)c3ccccc23)[C@H]1c1cccnc1 ZINC000013688680 558855158 /nfs/dbraw/zinc/85/51/58/558855158.db2.gz VIONZRBVDDFGFT-HXUWFJFHSA-N 0 1 404.470 2.713 50 30 HFEAMN CN(C)CCN1C(=O)C(=O)C(C(=O)c2cn(C)c3ccccc23)[C@H]1c1cccnc1 ZINC000013688680 558855160 /nfs/dbraw/zinc/85/51/60/558855160.db2.gz VIONZRBVDDFGFT-HXUWFJFHSA-N 0 1 404.470 2.713 50 30 HFEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000005445185 560588039 /nfs/dbraw/zinc/58/80/39/560588039.db2.gz MNOOQOSKKZXQOG-YDJIHCHBSA-N 0 1 410.470 2.687 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)cc1Cl ZINC000005576843 560624741 /nfs/dbraw/zinc/62/47/41/560624741.db2.gz SARKDSVKGANWJP-SELCWUDQSA-N 0 1 415.877 2.727 50 30 HFEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1F ZINC000102491598 560812153 /nfs/dbraw/zinc/81/21/53/560812153.db2.gz HWTVGXOWXSUWTH-ASBZNUFUSA-N 0 1 422.460 2.765 50 30 HFEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(C)cc1 ZINC000102502595 560812746 /nfs/dbraw/zinc/81/27/46/560812746.db2.gz MINMAEIHVRNWNG-PGVNHDJNSA-N 0 1 418.497 2.934 50 30 HFEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)cc1 ZINC000102564683 560816592 /nfs/dbraw/zinc/81/65/92/560816592.db2.gz KUQNIWJZRSTRIG-YDJIHCHBSA-N 0 1 409.486 2.852 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102705015 560820457 /nfs/dbraw/zinc/82/04/57/560820457.db2.gz VFKGOFCPHLSBRH-YDJIHCHBSA-N 0 1 410.470 2.687 50 30 HFEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccn2)cc1 ZINC000102711377 560823000 /nfs/dbraw/zinc/82/30/00/560823000.db2.gz XEQKDFYQAIDKGN-YDJIHCHBSA-N 0 1 409.486 2.852 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)c(OC)c1 ZINC000102738789 560824786 /nfs/dbraw/zinc/82/47/86/560824786.db2.gz AIABZBFZVFXMJE-GHNGSUTGSA-N 0 1 416.499 2.749 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)c(OC)c1 ZINC000102738787 560824794 /nfs/dbraw/zinc/82/47/94/560824794.db2.gz AIABZBFZVFXMJE-SELCWUDQSA-N 0 1 416.499 2.749 50 30 HFEAMN O=C(c1cccs1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000102873071 560830287 /nfs/dbraw/zinc/83/02/87/560830287.db2.gz CHKJZXYEBGUINH-GHNGSUTGSA-N 0 1 416.474 2.641 50 30 HFEAMN COc1ccccc1[C@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1CCN(C)C ZINC000102872908 560830347 /nfs/dbraw/zinc/83/03/47/560830347.db2.gz LRXLPMBKEXDQDM-HVESIFNPSA-N 0 1 415.515 2.752 50 30 HFEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020264063 568596344 /nfs/dbraw/zinc/59/63/44/568596344.db2.gz KEMAPWJIWRLBEJ-SFHVURJKSA-N 0 1 416.499 2.905 50 30 HFEAMN COc1ccc(Br)cc1CCC(=O)N1CCc2[nH]c(=O)c(C#N)cc2C1 ZINC000225681891 568778913 /nfs/dbraw/zinc/77/89/13/568778913.db2.gz DYHOUBKCVSAZNF-UHFFFAOYSA-N 0 1 416.275 2.535 50 30 HFEAMN C[C@]12C[C@@H](O)[C@H]3[C@@H](C[C@H]4C(=O)[C@H]5C(=O)CC[C@]3(C)[C@]45C#N)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000257349413 568817739 /nfs/dbraw/zinc/81/77/39/568817739.db2.gz NZCAVZYUHDBHGW-XXYWXCMGSA-N 0 1 411.498 2.573 50 30 HFEAMN C[C@]12C[C@@H](O)[C@H]3[C@@H](C[C@H]4C(O)=C5C(=O)CC[C@]3(C)[C@@]54C#N)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000257349413 568817741 /nfs/dbraw/zinc/81/77/41/568817741.db2.gz NZCAVZYUHDBHGW-XXYWXCMGSA-N 0 1 411.498 2.573 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)cc1OC ZINC000005883933 568828081 /nfs/dbraw/zinc/82/80/81/568828081.db2.gz WDQKMLZULBVCOF-MRJHHRETSA-N 0 1 424.497 2.996 50 30 HFEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccn2)cc1 ZINC000006160437 569015495 /nfs/dbraw/zinc/01/54/95/569015495.db2.gz AHCYMZFLFWYPFR-NHFXJNLRSA-N 0 1 407.470 2.630 50 30 HFEAMN COCCN1C(=O)C(=O)C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(O)c(OC)c1 ZINC000006238979 569034355 /nfs/dbraw/zinc/03/43/55/569034355.db2.gz SSWXMESRMZEBHW-LJQANCHMSA-N 0 1 413.426 2.634 50 30 HFEAMN CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCc3ccco3)C1=O)O2 ZINC000253410422 569366591 /nfs/dbraw/zinc/36/65/91/569366591.db2.gz NIHSZYUYOHYXBI-LJJIPZOBSA-N 0 1 423.421 2.951 50 30 biogenic HFEAMN NS(=O)(=O)c1cc(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)ccc1O ZINC000328590527 569415077 /nfs/dbraw/zinc/41/50/77/569415077.db2.gz IJMQUXXBQAEKGN-UHFFFAOYSA-N 0 1 422.850 2.964 50 30 HFEAMN C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(OC)c1O ZINC000009934455 571290962 /nfs/dbraw/zinc/29/09/62/571290962.db2.gz RTINBWMWDAESMX-GZTJUZNOSA-N 0 1 424.478 2.969 50 30 HFEAMN C=CCC[C@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc4c(c3)CCC4)co2)CC1 ZINC000034677240 518727973 /nfs/dbraw/zinc/72/79/73/518727973.db2.gz LCWFMYZNNMHACZ-NRFANRHFSA-N 0 1 424.545 2.860 50 30 HFEAMN C=CCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035872071 518921808 /nfs/dbraw/zinc/92/18/08/518921808.db2.gz UQTJYHQGCNNKML-FYYLOGMGSA-N 0 1 409.505 3.000 50 30 HFEAMN CCNC(NCCN1CCC(OC)CC1)=C(C#N)C(=O)Nc1ccccc1Cl ZINC000225507595 520204885 /nfs/dbraw/zinc/20/48/85/520204885.db2.gz RAPCOLFDGZWBIB-INIZCTEOSA-N 0 1 405.930 2.537 50 30 HFEAMN N=C(CCS(=O)(=O)c1ccc(Cl)cc1)NOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004389470 557550692 /nfs/dbraw/zinc/55/06/92/557550692.db2.gz KLMCPEWIIJKPTQ-UHFFFAOYSA-N 0 1 411.823 2.541 50 30 HFEAMN O=C(Cn1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c2ccccc21)N1CCOCC1 ZINC000004678174 557580181 /nfs/dbraw/zinc/58/01/81/557580181.db2.gz VFAYUMOANHATAW-LPYMAVHISA-N 0 1 407.430 2.854 50 30 HFEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(F)c1 ZINC000019898492 558304337 /nfs/dbraw/zinc/30/43/37/558304337.db2.gz WYJXMXJACIVMKA-HXUWFJFHSA-N 0 1 410.445 2.736 50 30 HFEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000017138788 558823792 /nfs/dbraw/zinc/82/37/92/558823792.db2.gz DDTSEPHMPZVVHH-OAQYLSRUSA-N 0 1 406.482 2.906 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)c(OC)c1 ZINC000013731269 558861200 /nfs/dbraw/zinc/86/12/00/558861200.db2.gz MJWKKYSIZCUDRJ-HXUWFJFHSA-N 0 1 410.470 2.844 50 30 HFEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCO)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005489178 560597806 /nfs/dbraw/zinc/59/78/06/560597806.db2.gz XSQQQWOCSGGTEJ-SFHVURJKSA-N 0 1 412.398 2.564 50 30 HFEAMN COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102882844 560833981 /nfs/dbraw/zinc/83/39/81/560833981.db2.gz VERLZPVNPWKCJS-GROYHEBESA-N 0 1 415.515 2.752 50 30 HFEAMN COc1cc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O ZINC000012348595 568495515 /nfs/dbraw/zinc/49/55/15/568495515.db2.gz NEWNVWSAHCOGOL-ZDUSSCGKSA-N 0 1 400.391 2.938 50 30 HFEAMN CCOC(=O)c1ccc(NC(=O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000028960650 568813739 /nfs/dbraw/zinc/81/37/39/568813739.db2.gz BVWOOJYHZBBWPH-UHFFFAOYSA-N 0 1 420.513 2.881 50 30 HFEAMN C=CCN1c2ccccc2[C@@]2(N[C@H](CC(C)C)[C@@H]3C(=O)N(CCCC)C(=O)[C@@H]32)C1=O ZINC000169712954 569144894 /nfs/dbraw/zinc/14/48/94/569144894.db2.gz CCPFXTOFIDHMBG-CWMLTSOLSA-N 0 1 409.530 2.834 50 30 HFEAMN C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](CN3CCN(c4ccccn4)CC3)C(=O)O[C@@H]1C2 ZINC000252694937 569320271 /nfs/dbraw/zinc/32/02/71/569320271.db2.gz RZVAWRGRSLEWCO-HYVWOMBXSA-N 0 1 411.546 2.731 50 30 biogenic HFEAMN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1cccs1 ZINC000013282786 569410410 /nfs/dbraw/zinc/41/04/10/569410410.db2.gz KBUJWVHPSZWNDD-GOSISDBHSA-N 0 1 410.499 2.844 50 30 HFEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccs1 ZINC000013282786 569410412 /nfs/dbraw/zinc/41/04/12/569410412.db2.gz KBUJWVHPSZWNDD-GOSISDBHSA-N 0 1 410.499 2.844 50 30 HFEAMN COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000008996327 571208832 /nfs/dbraw/zinc/20/88/32/571208832.db2.gz NIRVFKVCNFRUTK-GHNGSUTGSA-N 0 1 416.499 2.749 50 30 HFEAMN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1cccc(F)c1 ZINC000009044010 571215355 /nfs/dbraw/zinc/21/53/55/571215355.db2.gz KDIMIEUMWYFAPY-FQEVSTJZSA-N 0 1 422.460 2.922 50 30 HFEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccc(F)c1 ZINC000009044010 571215357 /nfs/dbraw/zinc/21/53/57/571215357.db2.gz KDIMIEUMWYFAPY-FQEVSTJZSA-N 0 1 422.460 2.922 50 30 HFEAMN COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009356789 571251214 /nfs/dbraw/zinc/25/12/14/571251214.db2.gz AZZXCHVVGZFIED-YDJIHCHBSA-N 0 1 410.470 2.687 50 30 HFEAMN CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccccc3OC)n[nH]2)C1 ZINC000040154208 520524217 /nfs/dbraw/zinc/52/42/17/520524217.db2.gz ARSRBRQZZFZGHM-ZDUSSCGKSA-N 0 1 407.496 2.520 50 30 HFEAMN COc1ccccc1-c1n[nH]c(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)n1 ZINC000052779252 524276893 /nfs/dbraw/zinc/27/68/93/524276893.db2.gz GOOZSASZSDDRTM-UHFFFAOYSA-N 0 1 402.414 2.992 50 30 HFEAMN COc1cccc(CN2CCN(Cc3ccc(C#CC(C)(C)O)cc3)C[C@H]2CCO)c1 ZINC000039467856 525944592 /nfs/dbraw/zinc/94/45/92/525944592.db2.gz KBXDZVNIBTUINZ-XMMPIXPASA-N 0 1 422.569 2.886 50 30 HFEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@@H](C)O)cc1 ZINC000005409040 557651950 /nfs/dbraw/zinc/65/19/50/557651950.db2.gz YKIHWMYWEIXGIX-AUUYWEPGSA-N 0 1 409.438 2.741 50 30 HFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccs1 ZINC000019880087 558300519 /nfs/dbraw/zinc/30/05/19/558300519.db2.gz SRKJKIAZYJXVPF-KRWDZBQOSA-N 0 1 400.456 2.617 50 30 HFEAMN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccnc1 ZINC000013734069 558861767 /nfs/dbraw/zinc/86/17/67/558861767.db2.gz PADLNAFWGKKKEM-GOSISDBHSA-N 0 1 415.877 2.884 50 30 HFEAMN COC(=O)c1cc(/N=C/c2cc([N+](=O)[O-])cc(OC)c2O)ccc1N1CCOCC1 ZINC000098086853 559065105 /nfs/dbraw/zinc/06/51/05/559065105.db2.gz WZGSPOCQZLMJOM-CIAFOILYSA-N 0 1 415.402 2.683 50 30 HFEAMN COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)c1OC ZINC000005576883 560624752 /nfs/dbraw/zinc/62/47/52/560624752.db2.gz ACAOUJQUZNBZLK-LFVOPCPISA-N 0 1 410.470 2.687 50 30 HFEAMN COc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1CCN(C)C ZINC000018189680 560781698 /nfs/dbraw/zinc/78/16/98/560781698.db2.gz VFYMZSXIMJZJDK-QGZVFWFLSA-N 0 1 415.515 2.908 50 30 HFEAMN COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000018191247 560781803 /nfs/dbraw/zinc/78/18/03/560781803.db2.gz FPBXZRVDTNPQOW-KRWDZBQOSA-N 0 1 415.515 2.908 50 30 HFEAMN CCCCCCCCN1C(=O)C(=C(C)NCCC[NH+]2CCCC2)C(=O)[N-]C1=S ZINC000104945643 560857314 /nfs/dbraw/zinc/85/73/14/560857314.db2.gz KQYVTYCODGDLGA-ISLYRVAYSA-N 0 1 408.612 2.940 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1OC ZINC000005799864 568735291 /nfs/dbraw/zinc/73/52/91/568735291.db2.gz QBGOUWSPACNXBU-YDJIHCHBSA-N 0 1 410.470 2.687 50 30 HFEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccccc1F ZINC000004311859 568961054 /nfs/dbraw/zinc/96/10/54/568961054.db2.gz MMAYJVFARYQKLO-HXUWFJFHSA-N 0 1 422.460 2.922 50 30 HFEAMN Cc1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000006813192 569136764 /nfs/dbraw/zinc/13/67/64/569136764.db2.gz LFJLQZIEFGTELZ-LFVOPCPISA-N 0 1 412.511 2.810 50 30 HFEAMN C[C@H](NC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1)c1ccccc1 ZINC000002377795 569389613 /nfs/dbraw/zinc/38/96/13/569389613.db2.gz HDRHTEBEVKCKSD-FUHWJXTLSA-N 0 1 401.470 2.951 50 30 HFEAMN N#Cc1ccc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)cc1 ZINC000299785649 571049842 /nfs/dbraw/zinc/04/98/42/571049842.db2.gz LBOHLNUQKNZTGH-HSZRJFAPSA-N 0 1 423.488 2.968 50 30 HFEAMN C=CCC[C@H](O)CN1CCN(Cc2nc(C(=O)N(C)C3CCCCC3)co2)CC1 ZINC000034677665 518725806 /nfs/dbraw/zinc/72/58/06/518725806.db2.gz YYXPKHIWRUOOKB-IBGZPJMESA-N 0 1 404.555 2.524 50 30 HFEAMN C=CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035871001 518920501 /nfs/dbraw/zinc/92/05/01/518920501.db2.gz FAHKBLZDUMATNG-IFMALSPDSA-N 0 1 424.476 2.899 50 30 HFEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccnc1 ZINC000000703050 557062777 /nfs/dbraw/zinc/06/27/77/557062777.db2.gz IOPVCVGKPQTQJE-OXQOHEQNSA-N 0 1 422.437 2.610 50 30 HFEAMN Cc1cc(=O)[nH]c(NN=Cc2cc(Br)cc(Br)c2O)n1 ZINC000004587464 557570056 /nfs/dbraw/zinc/57/00/56/557570056.db2.gz WFHSYWMTQSPTEN-PJQLUOCWSA-N 0 1 402.046 2.755 50 30 HFEAMN CCOc1cc(C=NNC2=NC(=O)CS2)ccc1OC(=O)c1ccc(OC)cc1 ZINC000004690262 557581559 /nfs/dbraw/zinc/58/15/59/557581559.db2.gz JELQVMLYMJNMSS-SRZZPIQSSA-N 0 1 413.455 2.866 50 30 HFEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)cc2)cc1 ZINC000020102485 558332240 /nfs/dbraw/zinc/33/22/40/558332240.db2.gz POQWATHYIYODIX-NRFANRHFSA-N 0 1 422.481 2.611 50 30 HFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cn(C)c3ccccc23)[C@@H]1c1cccnc1 ZINC000013688677 558855177 /nfs/dbraw/zinc/85/51/77/558855177.db2.gz VIONZRBVDDFGFT-FQEVSTJZSA-N 0 1 404.470 2.713 50 30 HFEAMN CN(C)CCN1C(=O)C(=O)C(C(=O)c2cn(C)c3ccccc23)[C@@H]1c1cccnc1 ZINC000013688677 558855179 /nfs/dbraw/zinc/85/51/79/558855179.db2.gz VIONZRBVDDFGFT-FQEVSTJZSA-N 0 1 404.470 2.713 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102705019 560820549 /nfs/dbraw/zinc/82/05/49/560820549.db2.gz VFKGOFCPHLSBRH-NHFXJNLRSA-N 0 1 410.470 2.687 50 30 HFEAMN Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(Cl)c1 ZINC000102738534 560824832 /nfs/dbraw/zinc/82/48/32/560824832.db2.gz IBMHQGZIYGMFFM-SELCWUDQSA-N 0 1 416.909 2.674 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(F)c2)cc1F ZINC000102751715 560825597 /nfs/dbraw/zinc/82/55/97/560825597.db2.gz WXHZLBDUKUFMCP-WOOAAIBNSA-N 0 1 416.424 2.957 50 30 HFEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)cc1 ZINC000102865203 560832607 /nfs/dbraw/zinc/83/26/07/560832607.db2.gz SOTQBSPEAKUXKY-YDJIHCHBSA-N 0 1 409.486 2.854 50 30 HFEAMN C=CCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000104917673 560856805 /nfs/dbraw/zinc/85/68/05/560856805.db2.gz UQTJYHQGCNNKML-JTHBVZDNSA-N 0 1 409.505 3.000 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccco2)cc1Cl ZINC000005799863 568735436 /nfs/dbraw/zinc/73/54/36/568735436.db2.gz FNIRLHVWCCSWRD-GROYHEBESA-N 0 1 404.850 2.925 50 30 HFEAMN CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)c2cccc(C#N)c2)cc1 ZINC000005965793 568832670 /nfs/dbraw/zinc/83/26/70/568832670.db2.gz LGIYTQOZLKULPB-UHFFFAOYSA-N 0 1 412.515 2.525 50 30 HFEAMN CCOc1ccc(C[N@@H+]2CCN(Cc3ccc(C#CCCO)cc3)C[C@H]2CCO)cc1 ZINC000104373779 569008554 /nfs/dbraw/zinc/00/85/54/569008554.db2.gz YVRSTGHOBMAZLP-RUZDIDTESA-N 0 1 422.569 2.888 50 30 HFEAMN CCOc1ccc(CN2CCN(Cc3ccc(C#CCCO)cc3)C[C@H]2CCO)cc1 ZINC000104373779 569008556 /nfs/dbraw/zinc/00/85/56/569008556.db2.gz YVRSTGHOBMAZLP-RUZDIDTESA-N 0 1 422.569 2.888 50 30 HFEAMN N#CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1Cl ZINC000006659695 569083954 /nfs/dbraw/zinc/08/39/54/569083954.db2.gz SIAWFUYXQJVGAG-ONYLCFQQSA-N 0 1 404.300 2.508 50 30 HFEAMN Cc1c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccco2)cnn1-c1ccccc1 ZINC000013161817 569410203 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/nfs/dbraw/zinc/42/67/65/569426765.db2.gz XJYZRAKNBAICMZ-DEOSSOPVSA-N 0 1 405.498 2.815 50 30 HFEAMN COc1ccc(-c2nc(N3CCN(C(=O)c4ccccc4)CC3)[nH]c(=O)c2C#N)cc1 ZINC000040122656 571178495 /nfs/dbraw/zinc/17/84/95/571178495.db2.gz KALKOQNVTRDPPH-UHFFFAOYSA-N 0 1 415.453 2.692 50 30 HFEAMN COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccs1 ZINC000102736186 524297129 /nfs/dbraw/zinc/29/71/29/524297129.db2.gz CVDHSAAYWRHLBA-GROYHEBESA-N 0 1 404.463 2.879 50 30 HFEAMN COc1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc([N+](=O)[O-])c1O ZINC000000980686 557130442 /nfs/dbraw/zinc/13/04/42/557130442.db2.gz RPIGASDJIPXQQX-DNTJNYDQSA-N 0 1 400.416 2.841 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)cc2)cc1 ZINC000019928125 558308535 /nfs/dbraw/zinc/30/85/35/558308535.db2.gz VRWDOKXKDRNKAR-FQEVSTJZSA-N 0 1 410.470 2.844 50 30 HFEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)cc1 ZINC000020171686 558343579 /nfs/dbraw/zinc/34/35/79/558343579.db2.gz NFMIEDADHAJRPS-HXUWFJFHSA-N 0 1 407.470 2.786 50 30 HFEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOCCO)[C@@H]2c2ccccc2)cc1 ZINC000013127440 558519082 /nfs/dbraw/zinc/51/90/82/558519082.db2.gz WQANCWNVWJPLFW-HXUWFJFHSA-N 0 1 411.454 2.673 50 30 HFEAMN COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)c1OC ZINC000018205378 558833359 /nfs/dbraw/zinc/83/33/59/558833359.db2.gz GKYNIWVLVNEYIO-SFHVURJKSA-N 0 1 414.458 2.745 50 30 HFEAMN Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Cl)c2)c(C)n1 ZINC000013690632 558855555 /nfs/dbraw/zinc/85/55/55/558855555.db2.gz VXQZXHFGRAXTBL-SFHVURJKSA-N 0 1 414.893 2.887 50 30 HFEAMN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccccc1 ZINC000100555183 559225741 /nfs/dbraw/zinc/22/57/41/559225741.db2.gz PMIGZKXDHBEJPJ-QOJBNDRUSA-N 0 1 418.497 2.934 50 30 HFEAMN O=C(c1ccccc1)C1C(=O)C(=O)N([C@@H]2CCS(=O)(=O)C2)[C@H]1c1cccc(F)c1 ZINC000011913800 559267073 /nfs/dbraw/zinc/26/70/73/559267073.db2.gz AUNMAQIOPFJFGF-AEFFLSMTSA-N 0 1 415.442 2.591 50 30 HFEAMN N#CC(c1nc2ccccc2nc1N1CCOCC1)S(=O)(=O)c1cccs1 ZINC000005215580 560543247 /nfs/dbraw/zinc/54/32/47/560543247.db2.gz VWVGVBOPJHKQRN-HNNXBMFYSA-N 0 1 400.485 2.566 50 30 HFEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2n[nH]c3c2CCC3)c(OC)c1OC ZINC000005625608 560632453 /nfs/dbraw/zinc/63/24/53/560632453.db2.gz OXNRLOKLAIEJIC-DJKKODMXSA-N 0 1 400.464 2.727 50 30 HFEAMN COc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)c1 ZINC000102539387 560814049 /nfs/dbraw/zinc/81/40/49/560814049.db2.gz RKYNRONQDIDYGD-GROYHEBESA-N 0 1 415.515 2.752 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2OC)cc1C ZINC000102879591 560833709 /nfs/dbraw/zinc/83/37/09/560833709.db2.gz BGYWKJQUCJOBRJ-JBCNATCCSA-N 0 1 424.497 2.996 50 30 HFEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccs2)cc1 ZINC000104178758 560849153 /nfs/dbraw/zinc/84/91/53/560849153.db2.gz IYEFTXVVLWESLL-LFVOPCPISA-N 0 1 412.511 2.810 50 30 HFEAMN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(NCCCN(C)C)C[C@H]1C ZINC000604406329 568490838 /nfs/dbraw/zinc/49/08/38/568490838.db2.gz JPZOHUZDWZQROK-GTJPDFRWSA-N 0 1 422.909 2.705 50 30 biogenic HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2)cc1 ZINC000005799900 568735238 /nfs/dbraw/zinc/73/52/38/568735238.db2.gz DVBBCUZOEFHBDA-NHFXJNLRSA-N 0 1 410.470 2.687 50 30 HFEAMN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000012521215 568841350 /nfs/dbraw/zinc/84/13/50/568841350.db2.gz HQEDJKSYXKRBRV-AWEZNQCLSA-N 0 1 423.454 2.555 50 30 HFEAMN C=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)NCc3cc(C)[nH]n3)nc2c1=O ZINC000072475480 568920304 /nfs/dbraw/zinc/92/03/04/568920304.db2.gz HSSQTYFGTFRIPW-UHFFFAOYSA-N 0 1 406.446 2.520 50 30 HFEAMN C=CCOc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)c3ccco3)n2CC1 ZINC000012034791 568993017 /nfs/dbraw/zinc/99/30/17/568993017.db2.gz KSNOEPJIKHGJPD-KRWDZBQOSA-N 0 1 421.501 2.985 50 30 HFEAMN CCOc1cc(C(=O)CCC(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)ccc1O ZINC000006607493 569071665 /nfs/dbraw/zinc/07/16/65/569071665.db2.gz RSHUQBPXAFXIEM-AWEZNQCLSA-N 0 1 416.455 2.938 50 30 HFEAMN CCOc1cc(C(=O)CCC(=O)OCC(=O)C(C#N)c2nc(C)cs2)ccc1O ZINC000006607493 569071666 /nfs/dbraw/zinc/07/16/66/569071666.db2.gz RSHUQBPXAFXIEM-AWEZNQCLSA-N 0 1 416.455 2.938 50 30 HFEAMN N#Cc1ccc(CN2CCC(NC(=O)CC3(Cn4cnnn4)CCCCC3)CC2)cc1 ZINC000524734481 569213675 /nfs/dbraw/zinc/21/36/75/569213675.db2.gz JQTNESHYEOYING-UHFFFAOYSA-N 0 1 421.549 2.666 50 30 HFEAMN C/C(Cl)=C\Cn1c(NN=Cc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C ZINC000009358404 571304392 /nfs/dbraw/zinc/30/43/92/571304392.db2.gz GUTLGYVTAHBOFQ-WRNZLZEGSA-N 0 1 421.288 2.676 50 30 HFEAMN C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000025383464 518957159 /nfs/dbraw/zinc/95/71/59/518957159.db2.gz GJUVZYBUXCVJEL-SFHVURJKSA-N 0 1 419.572 2.779 50 30 HFEAMN CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccccc3OC)n[nH]2)C1 ZINC000040154209 520521043 /nfs/dbraw/zinc/52/10/43/520521043.db2.gz ARSRBRQZZFZGHM-CYBMUJFWSA-N 0 1 407.496 2.520 50 30 HFEAMN COc1ccc(-c2nc(SCC(=O)NCc3ccccc3F)[nH]c(=O)c2C#N)cc1 ZINC000031610288 523225000 /nfs/dbraw/zinc/22/50/00/523225000.db2.gz REMKVOFTCRKBLC-UHFFFAOYSA-N 0 1 424.457 2.865 50 30 HFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000017057623 523558835 /nfs/dbraw/zinc/55/88/35/523558835.db2.gz RLRMWKDVHKIZLC-OAQYLSRUSA-N 0 1 422.481 2.606 50 30 HFEAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC=C3C(=O)c4ccccc4C3=O)cc2)n1 ZINC000001192200 557236762 /nfs/dbraw/zinc/23/67/62/557236762.db2.gz DLZBWLUHIMNXLG-UHFFFAOYSA-N 0 1 420.450 2.961 50 30 HFEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCO)c(OC)c1 ZINC000004312214 557539644 /nfs/dbraw/zinc/53/96/44/557539644.db2.gz BHUKDUVHRJJPHK-GOSISDBHSA-N 0 1 417.845 2.928 50 30 HFEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@H](C)O)c1 ZINC000005027694 557627340 /nfs/dbraw/zinc/62/73/40/557627340.db2.gz VKIGSOLUEUBDGP-XOBRGWDASA-N 0 1 411.454 2.971 50 30 HFEAMN CCOc1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2CCOCCO)cc1 ZINC000009411262 557841840 /nfs/dbraw/zinc/84/18/40/557841840.db2.gz APQLJYIMWISDAQ-GOSISDBHSA-N 0 1 417.483 2.734 50 30 HFEAMN C[C@H]1C(=O)N(CN2CCCN(Cc3ccc(C#N)cc3)CC2)C(=O)N1c1ccccc1 ZINC000022913790 557857691 /nfs/dbraw/zinc/85/76/91/557857691.db2.gz ZAVIFMGTLPGSHI-IBGZPJMESA-N 0 1 417.513 2.881 50 30 HFEAMN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000019788343 558281987 /nfs/dbraw/zinc/28/19/87/558281987.db2.gz WAIWCJYVBSHUIJ-HXUWFJFHSA-N 0 1 410.470 2.844 50 30 HFEAMN COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000019883114 558301465 /nfs/dbraw/zinc/30/14/65/558301465.db2.gz MWWMMAYDFRBHRT-NRFANRHFSA-N 0 1 422.481 2.606 50 30 HFEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)cc1 ZINC000020171684 558343511 /nfs/dbraw/zinc/34/35/11/558343511.db2.gz NFMIEDADHAJRPS-FQEVSTJZSA-N 0 1 407.470 2.786 50 30 HFEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)cc1 ZINC000020231674 558350152 /nfs/dbraw/zinc/35/01/52/558350152.db2.gz CXXCNHPCJLHSFM-HXUWFJFHSA-N 0 1 407.470 2.786 50 30 HFEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2OC)c1 ZINC000020230422 558350158 /nfs/dbraw/zinc/35/01/58/558350158.db2.gz TWVYJYIAOGAZDD-HXUWFJFHSA-N 0 1 410.470 2.844 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)cc2)cc1C ZINC000017124164 558823306 /nfs/dbraw/zinc/82/33/06/558823306.db2.gz YKHPSJFRMMKLPX-FQEVSTJZSA-N 0 1 410.470 2.849 50 30 biogenic HFEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000017138789 558823752 /nfs/dbraw/zinc/82/37/52/558823752.db2.gz DDTSEPHMPZVVHH-NRFANRHFSA-N 0 1 406.482 2.906 50 30 HFEAMN C=CCN1C(=O)NC(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000005631214 560635275 /nfs/dbraw/zinc/63/52/75/560635275.db2.gz AZHUQYGLXNJYQV-ATVHPVEESA-N 0 1 407.382 2.822 50 30 HFEAMN O=C(C=Cc1ccco1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1 ZINC000100914258 560762626 /nfs/dbraw/zinc/76/26/26/560762626.db2.gz YIENUSPNBWWKGP-MHNQQFQPSA-N 0 1 408.454 2.590 50 30 HFEAMN COc1cc(C=NN2C(=S)N=NC2c2cc(C)n[nH]2)cc(Br)c1O ZINC000005690956 560785826 /nfs/dbraw/zinc/78/58/26/560785826.db2.gz HHMIHOIOENFGNG-OMCISZLKSA-N 0 1 409.269 2.624 50 30 HFEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccs1 ZINC000102486185 560811902 /nfs/dbraw/zinc/81/19/02/560811902.db2.gz VRJHGACGPYORIT-CQGUWYRNSA-N 0 1 410.499 2.688 50 30 HFEAMN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccncc1 ZINC000102744781 560823998 /nfs/dbraw/zinc/82/39/98/560823998.db2.gz UMVFDIDAMULJIU-SELCWUDQSA-N 0 1 415.877 2.727 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)cc2)c(C)c1 ZINC000102879456 560833616 /nfs/dbraw/zinc/83/36/16/560833616.db2.gz HSKAPDMUQMUELG-NHFXJNLRSA-N 0 1 410.470 2.693 50 30 HFEAMN COc1cccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000020029368 568586470 /nfs/dbraw/zinc/58/64/70/568586470.db2.gz UMQAODJLBOZHLS-OAQYLSRUSA-N 0 1 422.481 2.606 50 30 HFEAMN Cc1cc([O-])c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccnc2)cc1C ZINC000020310000 568598423 /nfs/dbraw/zinc/59/84/23/568598423.db2.gz QRJNGNVWIXUAPP-HXUWFJFHSA-N 0 1 409.486 2.934 50 30 HFEAMN COc1ccc(CN2CCN(Cc3ccc(C#CCCO)cc3)C[C@@H]2CCO)cc1C ZINC000076871639 568923471 /nfs/dbraw/zinc/92/34/71/568923471.db2.gz VDXDSEYMKQUEOY-VWLOTQADSA-N 0 1 422.569 2.806 50 30 HFEAMN C=CCOc1ccc(/C=C2/C(=O)NN(c3ccc(C(=O)OCC)cc3)C2=O)cc1OC ZINC000006492060 568967714 /nfs/dbraw/zinc/96/77/14/568967714.db2.gz FMLIGKMNBWQKRB-AQTBWJFISA-N 0 1 422.437 2.898 50 30 HFEAMN Cc1ccc(-c2n[nH]c(NC(=O)CN(C)S(=O)(=O)c3ccc(F)cc3)n2)cc1 ZINC000012815155 568989333 /nfs/dbraw/zinc/98/93/33/568989333.db2.gz FTLUXXDGLAJISX-UHFFFAOYSA-N 0 1 403.439 2.828 50 30 HFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(O)c1 ZINC000006412009 569046832 /nfs/dbraw/zinc/04/68/32/569046832.db2.gz PPRXGTSIFQMIAG-RNODOKPDSA-N 0 1 409.438 2.940 50 30 biogenic HFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccs1 ZINC000006412318 569046840 /nfs/dbraw/zinc/04/68/40/569046840.db2.gz WCNYJIXSGRXONZ-SELCWUDQSA-N 0 1 414.483 2.503 50 30 HFEAMN COc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)c1 ZINC000018151949 569047226 /nfs/dbraw/zinc/04/72/26/569047226.db2.gz DZJQIZPQPAYGRB-KRWDZBQOSA-N 0 1 415.515 2.908 50 30 HFEAMN Cc1cc(C[C@@H](C)NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n[nH]1 ZINC000089599187 569261139 /nfs/dbraw/zinc/26/11/39/569261139.db2.gz WUQLNEGZVULJPR-CYBMUJFWSA-N 0 1 408.462 2.802 50 30 HFEAMN N#Cc1ccc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)cc1 ZINC000299785654 571049693 /nfs/dbraw/zinc/04/96/93/571049693.db2.gz LBOHLNUQKNZTGH-QHCPKHFHSA-N 0 1 423.488 2.968 50 30 HFEAMN C#Cc1cccc(NS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)c1 ZINC000031668023 518366763 /nfs/dbraw/zinc/36/67/63/518366763.db2.gz OTXLBIPJNXFWSY-UHFFFAOYSA-N 0 1 407.245 2.562 50 30 HFEAMN C=CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc4c(c3)CCC4)co2)CC1 ZINC000034677241 518721027 /nfs/dbraw/zinc/72/10/27/518721027.db2.gz LCWFMYZNNMHACZ-OAQYLSRUSA-N 0 1 424.545 2.860 50 30 HFEAMN C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000058245123 518956928 /nfs/dbraw/zinc/95/69/28/518956928.db2.gz GFIQDMZWJOVMEN-LJQANCHMSA-N 0 1 417.531 2.619 50 30 HFEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@H](C)O)cc1 ZINC000005409058 557651887 /nfs/dbraw/zinc/65/18/87/557651887.db2.gz YKIHWMYWEIXGIX-IFXJQAMLSA-N 0 1 409.438 2.741 50 30 HFEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@@H](C)O)cc1 ZINC000005408969 557652000 /nfs/dbraw/zinc/65/20/00/557652000.db2.gz YKIHWMYWEIXGIX-KUHUBIRLSA-N 0 1 409.438 2.741 50 30 HFEAMN O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCO)[C@@H]1c1ccc(Cl)cc1 ZINC000005595919 557664315 /nfs/dbraw/zinc/66/43/15/557664315.db2.gz WLHWWGUWSQOJDY-MRXNPFEDSA-N 0 1 402.790 2.819 50 30 HFEAMN CC(=NN1CC[NH+](C)CC1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000008431933 557788364 /nfs/dbraw/zinc/78/83/64/557788364.db2.gz UEPZFYVUMGXXSH-FOKLQQMPSA-N 0 1 424.452 2.766 50 30 HFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000019883728 558301928 /nfs/dbraw/zinc/30/19/28/558301928.db2.gz RXHDYLQRJLQGSR-GOSISDBHSA-N 0 1 413.405 2.874 50 30 HFEAMN COc1cc(/C=N/NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc([N+](=O)[O-])c1O ZINC000035347513 558790352 /nfs/dbraw/zinc/79/03/52/558790352.db2.gz SKSFBIYZENCSCQ-YBFXNURJSA-N 0 1 407.448 2.919 50 30 HFEAMN C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000058208711 558911952 /nfs/dbraw/zinc/91/19/52/558911952.db2.gz VRBMOQYHJFKFRL-UHFFFAOYSA-N 0 1 415.862 2.673 50 30 HFEAMN Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000102741056 560823568 /nfs/dbraw/zinc/82/35/68/560823568.db2.gz QZBPOIFPVYUIKO-GHNGSUTGSA-N 0 1 416.909 2.674 50 30 HFEAMN Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Cl)c2)c(C)n1 ZINC000102750154 560824542 /nfs/dbraw/zinc/82/45/42/560824542.db2.gz XFJLCLVOROXAMD-GHNGSUTGSA-N 0 1 414.893 2.730 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(F)c2)cc1F ZINC000102751713 560825590 /nfs/dbraw/zinc/82/55/90/560825590.db2.gz 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1 401.466 2.989 50 30 HFEAMN C[C@@]12C[C@@H](O)[C@H]3[C@@H](C[C@H]4C(=O)[C@H]5C(=O)CC[C@]3(C)[C@]45C#N)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000257349410 568817750 /nfs/dbraw/zinc/81/77/50/568817750.db2.gz NZCAVZYUHDBHGW-ARBSVDMQSA-N 0 1 411.498 2.573 50 30 HFEAMN C[C@@]12C[C@@H](O)[C@H]3[C@@H](C[C@H]4C(O)=C5C(=O)CC[C@]3(C)[C@@]54C#N)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000257349410 568817751 /nfs/dbraw/zinc/81/77/51/568817751.db2.gz NZCAVZYUHDBHGW-ARBSVDMQSA-N 0 1 411.498 2.573 50 30 HFEAMN N#Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000012544937 568849869 /nfs/dbraw/zinc/84/98/69/568849869.db2.gz MGWHBPOYQXZWNS-UHFFFAOYSA-N 0 1 405.501 2.534 50 30 HFEAMN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccn5)CC4)[C@H]3[C@@H]3O[C@]312 ZINC000004027402 568878339 /nfs/dbraw/zinc/87/83/39/568878339.db2.gz YANBBNCTKQYYBJ-ZOSNMPELSA-N 0 1 411.546 2.729 50 30 biogenic HFEAMN C=CCc1cc(OC)ccc1OC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000095543836 568936226 /nfs/dbraw/zinc/93/62/26/568936226.db2.gz MTNZJVCCXLWURQ-NRFANRHFSA-N 0 1 412.530 2.994 50 30 HFEAMN COc1ccc(CN2CC[N@@H+](Cc3ccc(C#CCCO)cc3)C[C@H]2CCO)cc1C ZINC000107100255 569009136 /nfs/dbraw/zinc/00/91/36/569009136.db2.gz VDXDSEYMKQUEOY-RUZDIDTESA-N 0 1 422.569 2.806 50 30 HFEAMN COc1ccc(CN2CCN(Cc3ccc(C#CCCO)cc3)C[C@H]2CCO)cc1C ZINC000107100255 569009137 /nfs/dbraw/zinc/00/91/37/569009137.db2.gz VDXDSEYMKQUEOY-RUZDIDTESA-N 0 1 422.569 2.806 50 30 HFEAMN CCCCCCn1c(NN=Cc2ccc([N+](=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000253531558 569382677 /nfs/dbraw/zinc/38/26/77/569382677.db2.gz OJNZODOKCRRGCR-UHFFFAOYSA-N 0 1 413.438 2.770 50 30 HFEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000008915045 571150596 /nfs/dbraw/zinc/15/05/96/571150596.db2.gz CYBOWECWBKNOMS-JBCNATCCSA-N 0 1 422.481 2.750 50 30 HFEAMN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(F)c1 ZINC000009044014 571215405 /nfs/dbraw/zinc/21/54/05/571215405.db2.gz KDIMIEUMWYFAPY-HXUWFJFHSA-N 0 1 422.460 2.922 50 30 HFEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(F)c1 ZINC000009044014 571215408 /nfs/dbraw/zinc/21/54/08/571215408.db2.gz KDIMIEUMWYFAPY-HXUWFJFHSA-N 0 1 422.460 2.922 50 30 HFEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)cc2)cc1 ZINC000009361015 571251594 /nfs/dbraw/zinc/25/15/94/571251594.db2.gz KCXNRUMGIAKNST-JBCNATCCSA-N 0 1 422.481 2.940 50 30 HFEAMN CC(C)(C)OC(=O)N1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3ccc(OCC#N)cc32)CC1 ZINC000040286206 518811545 /nfs/dbraw/zinc/81/15/45/518811545.db2.gz WRJQNINALACWEF-SFHVURJKSA-N 0 1 414.462 2.749 50 30 HFEAMN C=CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035871003 518931271 /nfs/dbraw/zinc/93/12/71/518931271.db2.gz FAHKBLZDUMATNG-RBBKRZOGSA-N 0 1 424.476 2.899 50 30 HFEAMN COCCC[NH+]=C(Nc1ccc(C(=O)[O-])cc1)N1CCN(C2CCCCC2)CC1 ZINC000021046665 523270159 /nfs/dbraw/zinc/27/01/59/523270159.db2.gz ZFEPSIOAFUXYEU-UHFFFAOYSA-N 0 1 402.539 2.949 50 30 HFEAMN O[C@H](COC(C(F)(F)F)C(F)(F)F)CN1CCN(c2ccc(F)cc2)CC1 ZINC000025329570 526284284 /nfs/dbraw/zinc/28/42/84/526284284.db2.gz PVALXYHYGFSBPD-ZDUSSCGKSA-N 0 1 404.326 2.818 50 30 HFEAMN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)c(OC)c1 ZINC000019880449 558300738 /nfs/dbraw/zinc/30/07/38/558300738.db2.gz JVGMFCDGNLYCOB-FQEVSTJZSA-N 0 1 410.470 2.844 50 30 biogenic HFEAMN Cc1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000019927907 558308399 /nfs/dbraw/zinc/30/83/99/558308399.db2.gz IZEMRLXYHDQAKF-LJQANCHMSA-N 0 1 412.511 2.967 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2)cc1 ZINC000020057202 558328661 /nfs/dbraw/zinc/32/86/61/558328661.db2.gz SFFSCTWHRCJGHG-HXUWFJFHSA-N 0 1 410.470 2.844 50 30 HFEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCO)[C@H]2c2cccc(OC)c2)cc1 ZINC000016737058 558802839 /nfs/dbraw/zinc/80/28/39/558802839.db2.gz CEMRUABYJTYLNS-FQEVSTJZSA-N 0 1 409.438 2.831 50 30 HFEAMN O=C(c1cccs1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000018157711 558832355 /nfs/dbraw/zinc/83/23/55/558832355.db2.gz GKKSRIBQCIDNPV-GOSISDBHSA-N 0 1 416.474 2.798 50 30 HFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cn(C)c3ccccc23)[C@@H]1c1ccncc1 ZINC000013690869 558855711 /nfs/dbraw/zinc/85/57/11/558855711.db2.gz IZDWESAYZKSVDQ-FQEVSTJZSA-N 0 1 404.470 2.713 50 30 HFEAMN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccncc1 ZINC000013691100 558855803 /nfs/dbraw/zinc/85/58/03/558855803.db2.gz GJUULWIMJYVERU-GOSISDBHSA-N 0 1 415.877 2.884 50 30 HFEAMN O=C(C=CNc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc2c(c1)OCO2 ZINC000100820114 559141057 /nfs/dbraw/zinc/14/10/57/559141057.db2.gz MRNHQAPQNYPUDJ-FLIBITNWSA-N 0 1 424.438 2.815 50 30 HFEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 ZINC000005595940 560628487 /nfs/dbraw/zinc/62/84/87/560628487.db2.gz VNUCELZOJNAESX-GHNGSUTGSA-N 0 1 416.474 2.641 50 30 HFEAMN Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(Cl)c1 ZINC000102735091 560822863 /nfs/dbraw/zinc/82/28/63/560822863.db2.gz CGXDAMXQMGEXKG-GROYHEBESA-N 0 1 402.882 2.663 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)cc1F ZINC000102748684 560824333 /nfs/dbraw/zinc/82/43/33/560824333.db2.gz HXDLYUUZKUSWCQ-LFVOPCPISA-N 0 1 416.424 2.957 50 30 HFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000102802411 560828775 /nfs/dbraw/zinc/82/87/75/560828775.db2.gz MCYLYRJTOOPPAW-YDJIHCHBSA-N 0 1 410.470 2.565 50 30 HFEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2F)s1 ZINC000102876083 560830784 /nfs/dbraw/zinc/83/07/84/560830784.db2.gz JDHIDHVTWVOFFD-UYTDBDHRSA-N 0 1 403.479 2.882 50 30 HFEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000104173124 560849032 /nfs/dbraw/zinc/84/90/32/560849032.db2.gz MTBPSDHNGXGHOO-MRJHHRETSA-N 0 1 424.472 2.970 50 30 HFEAMN COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020219699 568595243 /nfs/dbraw/zinc/59/52/43/568595243.db2.gz XOKRFNYDCHXOGR-FQEVSTJZSA-N 0 1 410.470 2.844 50 30 HFEAMN C=CCc1ccc(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)c(OC)c1 ZINC000002977644 568832702 /nfs/dbraw/zinc/83/27/02/568832702.db2.gz VMGWAWHSNZKFKW-UHFFFAOYSA-N 0 1 422.437 2.631 50 30 HFEAMN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccn5)CC4)[C@H]3[C@H]3O[C@@]312 ZINC000004027403 568878268 /nfs/dbraw/zinc/87/82/68/568878268.db2.gz YANBBNCTKQYYBJ-AUWQZQEGSA-N 0 1 411.546 2.729 50 30 biogenic HFEAMN COc1cc(CN=Nc2cc(C)nc(NS(=O)(=O)c3ccccc3)n2)ccc1O ZINC000004142079 568946421 /nfs/dbraw/zinc/94/64/21/568946421.db2.gz ODGHOPFWWZJINU-UDWIEESQSA-N 0 1 413.459 2.746 50 30 HFEAMN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccco1 ZINC000004310872 568960755 /nfs/dbraw/zinc/96/07/55/568960755.db2.gz OBQLQIDPTOCTET-GOSISDBHSA-N 0 1 408.458 2.684 50 30 HFEAMN C=C(Cl)Cn1c2cc(SC)ccc2cc(CN[C@H]2CCS(=O)(=O)C2)c1=O ZINC000012217560 568994198 /nfs/dbraw/zinc/99/41/98/568994198.db2.gz RDRLYHFDALRGIS-HNNXBMFYSA-N 0 1 412.964 2.753 50 30 HFEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccn2)cc1 ZINC000006160435 569015501 /nfs/dbraw/zinc/01/55/01/569015501.db2.gz AHCYMZFLFWYPFR-YDJIHCHBSA-N 0 1 407.470 2.630 50 30 HFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)cc1OC ZINC000006160688 569015876 /nfs/dbraw/zinc/01/58/76/569015876.db2.gz RUSSFKPZLJPZCA-GHNGSUTGSA-N 0 1 416.499 2.749 50 30 HFEAMN C=CCNCC(=O)Nc1ccccc1SCC(=O)Nc1ccsc1C(=O)OC ZINC000008857152 569390637 /nfs/dbraw/zinc/39/06/37/569390637.db2.gz ACMFVKZYFYPHJX-UHFFFAOYSA-N 0 1 419.528 2.980 50 30 HFEAMN Cc1csc([C@@H](C#N)C(=O)COC(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)n1 ZINC000009534245 571267093 /nfs/dbraw/zinc/26/70/93/571267093.db2.gz OYISRHLOTUVIBZ-FUHWJXTLSA-N 0 1 413.499 2.934 50 30 HFEAMN Cc1csc(C(C#N)C(=O)COC(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)n1 ZINC000009534245 571267094 /nfs/dbraw/zinc/26/70/94/571267094.db2.gz OYISRHLOTUVIBZ-FUHWJXTLSA-N 0 1 413.499 2.934 50 30 HFEAMN Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2ccc(C#N)cc2)c(C)n1C ZINC000009685070 571279660 /nfs/dbraw/zinc/27/96/60/571279660.db2.gz GFFBEFLDOLPOPS-UHFFFAOYSA-N 0 1 400.504 2.941 50 30 HFEAMN