smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Brc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000012465044 518209799 /nfs/dbraw/zinc/20/97/99/518209799.db2.gz JEYYRFVFUFXRQW-YZSQISJMSA-N 0 1 432.365 5.171 50 30 IKEAMN C(#CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)COc1cccc2ccccc21 ZINC000022902451 518369540 /nfs/dbraw/zinc/36/95/40/518369540.db2.gz ODRMMGPSEISCME-UHFFFAOYSA-N 0 1 446.594 5.629 50 30 IKEAMN C=CCC[C@@H](O)CN(CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036316300 518713571 /nfs/dbraw/zinc/71/35/71/518713571.db2.gz PTRJRWVLENROIB-HSZRJFAPSA-N 0 1 433.596 5.766 50 30 IKEAMN C=CCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036345923 518714185 /nfs/dbraw/zinc/71/41/85/518714185.db2.gz LLJZTZSZBABHFL-XMMPIXPASA-N 0 1 433.596 5.821 50 30 IKEAMN C=CCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036303920 518714262 /nfs/dbraw/zinc/71/42/62/518714262.db2.gz GUMQQLNKLVTDPC-HSZRJFAPSA-N 0 1 449.595 5.521 50 30 IKEAMN C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036346352 518716920 /nfs/dbraw/zinc/71/69/20/518716920.db2.gz XVAXQTMPAAQWTM-HSZRJFAPSA-N 0 1 435.543 5.404 50 30 IKEAMN C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C ZINC000036302021 518717528 /nfs/dbraw/zinc/71/75/28/518717528.db2.gz CXLRXWXUOYAIBV-HSZRJFAPSA-N 0 1 449.595 5.519 50 30 IKEAMN C=CCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036304554 518722552 /nfs/dbraw/zinc/72/25/52/518722552.db2.gz NEVFBBFLVGRZEP-QHCPKHFHSA-N 0 1 449.595 5.521 50 30 IKEAMN C=CCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036302194 518723232 /nfs/dbraw/zinc/72/32/32/518723232.db2.gz AEGMFGUUVQAPHG-QHCPKHFHSA-N 0 1 449.595 5.521 50 30 IKEAMN C=CCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036342097 518724091 /nfs/dbraw/zinc/72/40/91/518724091.db2.gz KLUNIVGFUBSWIU-QHCPKHFHSA-N 0 1 437.559 5.651 50 30 IKEAMN C=CCN(CC(=O)N1N=C(c2cc(C)ccc2C)C[C@H]1c1cccc(F)c1)C1CCCC1 ZINC000036342757 518756161 /nfs/dbraw/zinc/75/61/61/518756161.db2.gz YKKMEFQUWZXNGN-SANMLTNESA-N 0 1 433.571 5.551 50 30 IKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009472351 519023012 /nfs/dbraw/zinc/02/30/12/519023012.db2.gz BHJIBJSFOXOHQP-JOCHJYFZSA-N 0 1 449.890 5.276 50 30 IKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000009969609 519024744 /nfs/dbraw/zinc/02/47/44/519024744.db2.gz SYGILBHLEIZYAT-QFIPXVFZSA-N 0 1 449.890 5.276 50 30 IKEAMN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000674132 519640409 /nfs/dbraw/zinc/64/04/09/519640409.db2.gz MDSSCXDGYAOCPG-SSOJOUAXSA-N 0 1 443.459 5.108 50 30 IKEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000008996290 519778469 /nfs/dbraw/zinc/77/84/69/519778469.db2.gz GFZGGNOCYASFLQ-QFIPXVFZSA-N 0 1 448.906 5.305 50 30 IKEAMN CC(C)c1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000009428408 519840257 /nfs/dbraw/zinc/84/02/57/519840257.db2.gz QTVOMAAFYBSOLN-QFIPXVFZSA-N 0 1 446.459 5.090 50 30 IKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Nc3ccccc3)[C@H]2c2ccccc2)C1 ZINC000021722081 520261529 /nfs/dbraw/zinc/26/15/29/520261529.db2.gz YTQOWEQCYKXAEZ-SANMLTNESA-N 0 1 437.543 6.535 50 30 IKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NC[C@H]3CCCO3)[C@@H]2c2ccccc2)C1 ZINC000021722105 520262863 /nfs/dbraw/zinc/26/28/63/520262863.db2.gz CTZAQFNJTNQTIO-KBMIEXCESA-N 0 1 445.563 5.192 50 30 IKEAMN CCCCOC(=O)c1ccc(-c2ccc(C=NNc3ccc(OC)cc3[N+](=O)[O-])o2)cc1 ZINC000020615067 520719991 /nfs/dbraw/zinc/71/99/91/520719991.db2.gz ODFACLBOGCJEKG-BUVRLJJBSA-N 0 1 437.452 5.266 50 30 IKEAMN CCOc1ccc(-n2c(C)cc([C@H]3c4c(C)n[nH]c4NC4=C3C(=O)CC(C)(C)C4)c2C)cc1 ZINC000012583539 520832707 /nfs/dbraw/zinc/83/27/07/520832707.db2.gz XHAYHRUOCUGOEQ-DEOSSOPVSA-N 0 1 444.579 5.725 50 30 IKEAMN CCCCC1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000013582992 521117744 /nfs/dbraw/zinc/11/77/44/521117744.db2.gz PQVZICXKNNRIPL-MLKPGFSBSA-N 0 1 429.589 6.173 50 30 IKEAMN CCCCC1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O ZINC000051366983 521117829 /nfs/dbraw/zinc/11/78/29/521117829.db2.gz LEHKLFXCYIZPJE-IOYLVGNBSA-N 0 1 443.616 6.481 50 30 IKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000012648746 521168616 /nfs/dbraw/zinc/16/86/16/521168616.db2.gz YLNFDTSZCDVHIG-QLXKLKPCSA-N 0 1 446.934 6.244 50 30 IKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(F)c1 ZINC000009067564 521168665 /nfs/dbraw/zinc/16/86/65/521168665.db2.gz GGXZFQFEPIKPTM-NGOKVRLYSA-N 0 1 440.518 6.136 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000009934353 521168981 /nfs/dbraw/zinc/16/89/81/521168981.db2.gz RNCCSISZHQBOIK-MYUZEXMDSA-N 0 1 442.515 5.599 50 30 IKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000012648749 521169133 /nfs/dbraw/zinc/16/91/33/521169133.db2.gz YLNFDTSZCDVHIG-MRDQGFSESA-N 0 1 446.934 6.244 50 30 IKEAMN CCCCC1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O ZINC000013617278 521253108 /nfs/dbraw/zinc/25/31/08/521253108.db2.gz LEHKLFXCYIZPJE-AEOQXANVSA-N 0 1 443.616 6.481 50 30 IKEAMN CCCCc1n[nH]c(=S)n1N=Cc1cccc(OCc2ccc(Br)cc2)c1 ZINC000001916330 521291208 /nfs/dbraw/zinc/29/12/08/521291208.db2.gz KOVIPKXOWFVPQV-LPYMAVHISA-N 0 1 445.386 5.507 50 30 IKEAMN CCC(C)(C)[C@@H]1CCc2sc3[nH]cnc(=NN=Cc4c(Cl)cccc4Cl)c3c2C1 ZINC000012561336 521364119 /nfs/dbraw/zinc/36/41/19/521364119.db2.gz ZMUWKRLESJFUPP-OZHCYYCFSA-N 0 1 447.435 6.985 50 30 IKEAMN COc1ccc(-c2ccc(CN=Nc3c(Cl)cc(Cl)cc3C(F)(F)F)s2)cc1 ZINC000012369141 523128108 /nfs/dbraw/zinc/12/81/08/523128108.db2.gz MBPACWIBIDPCIR-KIBLKLHPSA-N 0 1 445.293 7.195 50 30 IKEAMN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@@H+]3C[C@H](C)C[C@H](C)C3)C2=O)c2ccccc21 ZINC000013681157 523305238 /nfs/dbraw/zinc/30/52/38/523305238.db2.gz NZJVEMLDYNICJQ-HZTDBVLZSA-N 0 1 430.548 5.461 50 30 IKEAMN COc1ccc(/C=C/C(=O)c2ccccc2O)cc1COc1ccc(Cl)cc1Cl ZINC000013786601 523402773 /nfs/dbraw/zinc/40/27/73/523402773.db2.gz SRBZODNUWJWOPZ-RMKNXTFCSA-N 0 1 429.299 6.183 50 30 IKEAMN CCC1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2cccc3ccccc32)C1=O ZINC000013617361 523422969 /nfs/dbraw/zinc/42/29/69/523422969.db2.gz ZETWLCDQKVYEKX-VDFJPTLYSA-N 0 1 447.560 5.101 50 30 IKEAMN CNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(OC)cc1 ZINC000021722390 524077131 /nfs/dbraw/zinc/07/71/31/524077131.db2.gz UPRZMAGQQCKCLP-GKVSMKOHSA-N 0 1 443.503 5.002 50 30 IKEAMN Cc1ccc(C)c(NC(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@H]2c2cccs2)c1 ZINC000021356000 524147669 /nfs/dbraw/zinc/14/76/69/524147669.db2.gz VCSCNWKOKQMZNU-RUZDIDTESA-N 0 1 443.572 6.577 50 30 IKEAMN COc1ccccc1NC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1cccs1 ZINC000021722358 524612922 /nfs/dbraw/zinc/61/29/22/524612922.db2.gz NUGJZDQWIIMPQF-DEOSSOPVSA-N 0 1 445.544 5.969 50 30 IKEAMN Cc1ccc(N2C(=O)C(C)(C)[C@@H](N3CCCCC3)/C2=N\C23CC4CC(CC(C4)C2)C3)cc1 ZINC000021152121 524917898 /nfs/dbraw/zinc/91/78/98/524917898.db2.gz VXANDOXHZPFXFR-FIXONSRPSA-N 0 1 433.640 5.590 50 30 IKEAMN COc1ccc(OCCCOc2ccc(C)cc2)c(C=NNc2nc3ccccc3s2)c1 ZINC000012464195 524949665 /nfs/dbraw/zinc/94/96/65/524949665.db2.gz TXCWOMLOVXZTKQ-YZSQISJMSA-N 0 1 447.560 5.907 50 30 IKEAMN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N[C@H]3c3c[nH]c4ccccc43)C2)cc1 ZINC000000681732 525398742 /nfs/dbraw/zinc/39/87/42/525398742.db2.gz SGENHWCBNUIGCF-WRHNGFHOSA-N 0 1 435.527 6.156 50 30 IKEAMN Cc1[nH]c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nc1Cc1ccccc1 ZINC000012550618 525413754 /nfs/dbraw/zinc/41/37/54/525413754.db2.gz FHIFBRDJJJMDPX-AWEZNQCLSA-N 0 1 436.606 5.098 50 30 IKEAMN Cc1ccc(OCc2nc(C#N)c(NC[C@H](c3ccccc3)N3CCCCC3)o2)c(C)c1 ZINC000035671556 525447900 /nfs/dbraw/zinc/44/79/00/525447900.db2.gz IHMYCMCEVHEOIR-HSZRJFAPSA-N 0 1 430.552 5.381 50 30 IKEAMN Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2SC2CCCCC2)cc1 ZINC000032828836 525628275 /nfs/dbraw/zinc/62/82/75/525628275.db2.gz FJKVPUGGJCDBFY-OAQYLSRUSA-N 0 1 437.590 5.402 50 30 IKEAMN Cc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(=S)[nH]nc2-c2cccs2)cc1 ZINC000013658334 525839931 /nfs/dbraw/zinc/83/99/31/525839931.db2.gz XLDWYNYOMHTUPU-ZVHZXABRSA-N 0 1 442.573 5.713 50 30 IKEAMN Cc1ccc([C@H]2c3c(n[nH]c3-c3cccc([N+](=O)[O-])c3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000020849697 526046228 /nfs/dbraw/zinc/04/62/28/526046228.db2.gz WPTSZLWFLAHUPM-HXUWFJFHSA-N 0 1 428.492 5.494 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000022135377 526270272 /nfs/dbraw/zinc/27/02/72/526270272.db2.gz CQFWDBFXSUJVMU-IBGZPJMESA-N 0 1 425.271 5.171 50 30 IKEAMN Oc1c(Br)cc(Cl)cc1/C=N/c1cccc(-c2nc3ccccc3s2)c1 ZINC000067207123 526324086 /nfs/dbraw/zinc/32/40/86/526324086.db2.gz ULJWQYNIAHCUMX-FOKLQQMPSA-N 0 1 443.753 6.835 50 30 IKEAMN S=c1[nH]nc(-c2cccs2)n1N=Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000013658332 526387121 /nfs/dbraw/zinc/38/71/21/526387121.db2.gz XUABPJVSOFIUNS-OEAKJJBVSA-N 0 1 428.546 5.404 50 30 IKEAMN O=C(Cc1cccs1)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000012652129 527302088 /nfs/dbraw/zinc/30/20/88/527302088.db2.gz WRUZWXKDTPBPFF-VWLOTQADSA-N 0 1 448.975 6.151 50 30 IKEAMN O=C(Nc1ccccc1Cl)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1cccs1 ZINC000021722342 527415959 /nfs/dbraw/zinc/41/59/59/527415959.db2.gz WUOQABCHMVFLCT-QHCPKHFHSA-N 0 1 449.963 6.614 50 30 IKEAMN O=C(NC1CCCCC1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 ZINC000012652153 527514063 /nfs/dbraw/zinc/51/40/63/527514063.db2.gz SQDBBVURPPOYFW-RUZDIDTESA-N 0 1 449.982 6.363 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccccc1O[C@H](C)CC ZINC000000671957 555531556 /nfs/dbraw/zinc/53/15/56/555531556.db2.gz BELHMXOTTYPSEN-CLYVBNDRSA-N 0 1 446.591 6.417 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccccc1O[C@@H](C)CC ZINC000000671965 555531577 /nfs/dbraw/zinc/53/15/77/555531577.db2.gz BELHMXOTTYPSEN-XRHLQHRESA-N 0 1 446.591 6.417 50 30 IKEAMN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N[C@@H]3c3c[nH]c4ccccc43)C2)cc1 ZINC000000681729 555537414 /nfs/dbraw/zinc/53/74/14/555537414.db2.gz SGENHWCBNUIGCF-XDBZFTIUSA-N 0 1 435.527 6.156 50 30 IKEAMN CCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000000688885 555541315 /nfs/dbraw/zinc/54/13/15/555541315.db2.gz LKOYHHDDYIPSGE-RUZDIDTESA-N 0 1 432.564 5.884 50 30 IKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000000702367 555542821 /nfs/dbraw/zinc/54/28/21/555542821.db2.gz SFXMYOXEFIRAGI-RUZDIDTESA-N 0 1 441.527 5.215 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(C)o1 ZINC000000872434 555575692 /nfs/dbraw/zinc/57/56/92/555575692.db2.gz IGNKQYZXOGECOQ-UZTOHYMASA-N 0 1 426.516 5.899 50 30 IKEAMN Cn1cccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2ccccc2N1C(=O)Cc1ccccc1 ZINC000001201649 555678782 /nfs/dbraw/zinc/67/87/82/555678782.db2.gz LSQGSDDXGORWJA-HHHXNRCGSA-N 0 1 439.559 5.411 50 30 IKEAMN CCOc1ccccc1NC(=O)C[C@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O ZINC000001213746 555683057 /nfs/dbraw/zinc/68/30/57/555683057.db2.gz LIPNXQLBCIZNOH-VQAHOFKPSA-N 0 1 445.544 5.250 50 30 IKEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccccc1 ZINC000001414731 555694887 /nfs/dbraw/zinc/69/48/87/555694887.db2.gz MVMVOLLSAFLFRI-DEOSSOPVSA-N 0 1 440.474 5.128 50 30 IKEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2C)cc1OCc1ccccc1 ZINC000002344295 555770454 /nfs/dbraw/zinc/77/04/54/555770454.db2.gz YWDJYQUWTKUPHO-MFKUBSTISA-N 0 1 430.533 5.386 50 30 IKEAMN CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(N(C)C)cc1 ZINC000003772462 555946696 /nfs/dbraw/zinc/94/66/96/555946696.db2.gz WFCYVGXXJPBHNY-HHHXNRCGSA-N 0 1 445.607 6.086 50 30 IKEAMN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N[C@H]3c3cccc4ccccc43)C2)cc1 ZINC000004046889 555955101 /nfs/dbraw/zinc/95/51/01/555955101.db2.gz IBSKXRMGHUTOPQ-JRPXNJEYSA-N 0 1 446.550 6.828 50 30 IKEAMN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N[C@@H]3c3cccc4ccccc43)C2)cc1 ZINC000004046891 555955165 /nfs/dbraw/zinc/95/51/65/555955165.db2.gz IBSKXRMGHUTOPQ-URAOTHONSA-N 0 1 446.550 6.828 50 30 IKEAMN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N[C@@H]3c3cccc4ccccc43)C2)cc1 ZINC000004046890 555955250 /nfs/dbraw/zinc/95/52/50/555955250.db2.gz IBSKXRMGHUTOPQ-IIMAJNMQSA-N 0 1 446.550 6.828 50 30 IKEAMN CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(N(C)C)cc1 ZINC000005091637 556032097 /nfs/dbraw/zinc/03/20/97/556032097.db2.gz QGINGTOFZBVZKJ-VWLOTQADSA-N 0 1 431.580 5.552 50 30 IKEAMN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3ccco3)C2)cc1 ZINC000006498943 556091745 /nfs/dbraw/zinc/09/17/45/556091745.db2.gz VKWBHSAKGOIDEP-WXTAPIANSA-N 0 1 428.488 5.209 50 30 IKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccs3)sc2c1 ZINC000008740838 556206608 /nfs/dbraw/zinc/20/66/08/556206608.db2.gz KESLFXKGVCKTDC-GOSISDBHSA-N 0 1 436.514 5.296 50 30 aggregator IKEAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000009041728 556241948 /nfs/dbraw/zinc/24/19/48/556241948.db2.gz AZRWCPUUKODWHN-QFIPXVFZSA-N 0 1 428.454 5.868 50 30 IKEAMN CCNC(=S)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000009070012 556245151 /nfs/dbraw/zinc/24/51/51/556245151.db2.gz GGWPTCMCWGXRBJ-DEOSSOPVSA-N 0 1 448.636 5.263 50 30 IKEAMN CCNC(=S)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000009070016 556245180 /nfs/dbraw/zinc/24/51/80/556245180.db2.gz GGWPTCMCWGXRBJ-XMMPIXPASA-N 0 1 448.636 5.263 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000009110000 556247414 /nfs/dbraw/zinc/24/74/14/556247414.db2.gz WPOXPGJSMHNBDH-FQEVSTJZSA-N 0 1 441.380 5.627 50 30 IKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(OC)cc1 ZINC000009191633 556254081 /nfs/dbraw/zinc/25/40/81/556254081.db2.gz QZJAJWSFAMOGSR-DNOBIOAJSA-N 0 1 442.515 5.599 50 30 IKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(OC)cc1 ZINC000009191628 556254152 /nfs/dbraw/zinc/25/41/52/556254152.db2.gz QZJAJWSFAMOGSR-MYUZEXMDSA-N 0 1 442.515 5.599 50 30 IKEAMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1F ZINC000009259336 556267631 /nfs/dbraw/zinc/26/76/31/556267631.db2.gz OTZXKQCVSZMKLX-SSDVNMTOSA-N 0 1 431.265 5.350 50 30 IKEAMN O=C(Nc1ccccc1)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000009264147 556270096 /nfs/dbraw/zinc/27/00/96/556270096.db2.gz PTLWWTDWVKTKCF-RUZDIDTESA-N 0 1 443.934 6.552 50 30 IKEAMN O=C(c1ccc(Cl)cc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccccc1 ZINC000009264158 556270169 /nfs/dbraw/zinc/27/01/69/556270169.db2.gz ODPHRYGXPPCFJO-RUZDIDTESA-N 0 1 428.919 6.161 50 30 IKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000009271670 556271011 /nfs/dbraw/zinc/27/10/11/556271011.db2.gz UYZHUUDARHVZRK-HXUWFJFHSA-N 0 1 442.353 5.608 50 30 IKEAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1cccc(OC)c1 ZINC000009300559 556275941 /nfs/dbraw/zinc/27/59/41/556275941.db2.gz SWEXRNUITMYTMM-HHHXNRCGSA-N 0 1 446.591 6.419 50 30 IKEAMN CCOc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)cc2)c1 ZINC000009357446 556285398 /nfs/dbraw/zinc/28/53/98/556285398.db2.gz BERAVWHCSNSSSR-PCLIKHOPSA-N 0 1 430.533 5.468 50 30 IKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009374699 556286732 /nfs/dbraw/zinc/28/67/32/556286732.db2.gz DPXYSGGAJFIYSL-NRFANRHFSA-N 0 1 441.955 5.252 50 30 IKEAMN Oc1ccc(C=NNc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)c(O)c1 ZINC000013756669 556300848 /nfs/dbraw/zinc/30/08/48/556300848.db2.gz GMGLSVRLSKNDJQ-BHGWPJFGSA-N 0 1 425.275 5.461 50 30 IKEAMN CSc1ccc([C@H]2C3C(=O)CCCC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000009861354 556315031 /nfs/dbraw/zinc/31/50/31/556315031.db2.gz CNXAMYHANVQIQJ-SANMLTNESA-N 0 1 440.568 6.229 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1ccco1 ZINC000009934356 556318293 /nfs/dbraw/zinc/31/82/93/556318293.db2.gz RNCCSISZHQBOIK-DNOBIOAJSA-N 0 1 442.515 5.599 50 30 IKEAMN Cc1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(Br)c4O)cc3)nc2c1 ZINC000013894432 556328166 /nfs/dbraw/zinc/32/81/66/556328166.db2.gz IWJHKJYWUXLXEK-BHGWPJFGSA-N 0 1 441.712 6.675 50 30 IKEAMN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(CN=Nc3c(Cl)cc(Cl)cc3Cl)o2)c1 ZINC000013896115 556329321 /nfs/dbraw/zinc/32/93/21/556329321.db2.gz CKALSSUYZLXPJF-GZIVZEMBSA-N 0 1 445.089 6.914 50 30 IKEAMN Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2SC2CCCCC2)cc1 ZINC000032828833 556413340 /nfs/dbraw/zinc/41/33/40/556413340.db2.gz FJKVPUGGJCDBFY-NRFANRHFSA-N 0 1 437.590 5.402 50 30 IKEAMN Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000015826268 556554294 /nfs/dbraw/zinc/55/42/94/556554294.db2.gz MTMYSPZMMJHIKN-RUZDIDTESA-N 0 1 442.584 6.513 50 30 IKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000016735777 556633314 /nfs/dbraw/zinc/63/33/14/556633314.db2.gz FOTAODVASHTWEO-VWLOTQADSA-N 0 1 425.528 5.897 50 30 IKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C(C)C)cc2)cc1F ZINC000016741222 556634920 /nfs/dbraw/zinc/63/49/20/556634920.db2.gz GKWWIEPEERDZRD-XMMPIXPASA-N 0 1 444.506 5.431 50 30 IKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000016741364 556635062 /nfs/dbraw/zinc/63/50/62/556635062.db2.gz UQXFYDZYUFUNOG-DEOSSOPVSA-N 0 1 431.532 5.448 50 30 IKEAMN COc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(OC)c(OCc3ccccc3)c2)c1 ZINC000016956830 556650568 /nfs/dbraw/zinc/65/05/68/556650568.db2.gz OPSVHBBQKMNGIE-MFKUBSTISA-N 0 1 446.532 5.086 50 30 IKEAMN COc1ccc(Br)cc1C=Nn1c(=S)[nH]nc1-c1cccc(OC(C)C)c1 ZINC000016996125 556652456 /nfs/dbraw/zinc/65/24/56/556652456.db2.gz VFRUECJFSZJOAM-SRZZPIQSSA-N 0 1 447.358 5.048 50 30 IKEAMN CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc2c(c1)OCO2 ZINC000017028201 556653578 /nfs/dbraw/zinc/65/35/78/556653578.db2.gz OLWBKSRHNUZJJA-AREMUKBSSA-N 0 1 446.547 5.604 50 30 IKEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)cc2)cc1OC ZINC000017145525 556669943 /nfs/dbraw/zinc/66/99/43/556669943.db2.gz LYKOITBAFQOUKE-MFKUBSTISA-N 0 1 446.532 5.086 50 30 IKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(F)c1 ZINC000018137678 556684682 /nfs/dbraw/zinc/68/46/82/556684682.db2.gz FCTUPJZLWWGATE-CCLHPLFOSA-N 0 1 426.491 5.746 50 30 IKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000018155906 556685266 /nfs/dbraw/zinc/68/52/66/556685266.db2.gz AUGPVCVOLVUIRU-SSOJOUAXSA-N 0 1 432.907 5.854 50 30 IKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000018155901 556685314 /nfs/dbraw/zinc/68/53/14/556685314.db2.gz AUGPVCVOLVUIRU-CRICUBBOSA-N 0 1 432.907 5.854 50 30 IKEAMN CCCCOC(=O)c1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)cc1 ZINC000003114332 556686223 /nfs/dbraw/zinc/68/62/23/556686223.db2.gz SEXGOCANYDLYSS-FOKLQQMPSA-N 0 1 438.749 6.132 50 30 IKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 ZINC000018250735 556688413 /nfs/dbraw/zinc/68/84/13/556688413.db2.gz AKKBVQSJPCVNPB-GKVSMKOHSA-N 0 1 432.520 5.808 50 30 IKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000018285630 556689354 /nfs/dbraw/zinc/68/93/54/556689354.db2.gz BXNREIQYHKIHTL-WTYVLRPYSA-N 0 1 440.518 6.136 50 30 IKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000018285623 556689456 /nfs/dbraw/zinc/68/94/56/556689456.db2.gz BXNREIQYHKIHTL-PIIWDFAUSA-N 0 1 440.518 6.136 50 30 IKEAMN O=C(c1cc2ccccc2o1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Cl)c1 ZINC000013728490 556721102 /nfs/dbraw/zinc/72/11/02/556721102.db2.gz UDMXQIUVWKMNJZ-JOCHJYFZSA-N 0 1 444.874 5.260 50 30 IKEAMN C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1cccc(Oc2ccccc2)c1 ZINC000019682353 556841740 /nfs/dbraw/zinc/84/17/40/556841740.db2.gz ULCLEKMRWRWIDI-DFKUXCBWSA-N 0 1 445.566 6.200 50 30 IKEAMN C(=N/N1CCN(Cc2cccc3ccccc32)CC1)\c1cccc(OCc2ccccc2)c1 ZINC000019772984 556913458 /nfs/dbraw/zinc/91/34/58/556913458.db2.gz ADDABRJJDSQJPT-MWAVMZGNSA-N 0 1 435.571 5.571 50 30 IKEAMN C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1ccc(-c2ccccc2)cc1 ZINC000019808093 556918361 /nfs/dbraw/zinc/91/83/61/556918361.db2.gz VGQLRFOGNGBQPU-DFKUXCBWSA-N 0 1 429.567 6.075 50 30 IKEAMN C[C@@H]1CN(c2ccc(/C=N/c3ccc(O)c(-c4nc5ccccc5s4)c3)o2)C[C@@H](C)O1 ZINC000017247397 557042120 /nfs/dbraw/zinc/04/21/20/557042120.db2.gz WWXYEDMQPPLPMT-IWJXXNJYSA-N 0 1 433.533 5.626 50 30 IKEAMN O=C(C[C@H]1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2 ZINC000100035592 557238351 /nfs/dbraw/zinc/23/83/51/557238351.db2.gz BJKOPLOZQDQIOT-QQDRUZQMSA-N 0 1 440.568 5.975 50 30 IKEAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]nc(C)c2[C@H]3c2ccccc2Cl)cc1OC ZINC000018199317 557251169 /nfs/dbraw/zinc/25/11/69/557251169.db2.gz FGWIEEWJNLXGFK-NPMXOYFQSA-N 0 1 449.938 5.347 50 30 IKEAMN CCOc1ccc(/N=C2/S/C(=C\c3cc(Cl)cc(Cl)c3O)C(=O)N2CC)cc1 ZINC000100259646 557255966 /nfs/dbraw/zinc/25/59/66/557255966.db2.gz ZEWMQOOSMCAZQP-PQUPTFKKSA-N 0 1 437.348 5.722 50 30 IKEAMN O=[N+]([O-])c1ccc2c(ccc(O)c2/C=N/c2ccc(O)c(-c3nc4ccccc4s3)c2)c1 ZINC000100502407 557262600 /nfs/dbraw/zinc/26/26/00/557262600.db2.gz KTNNCXFRXTVYMR-DHRITJCHSA-N 0 1 441.468 6.187 50 30 IKEAMN CCOc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000100717216 557271129 /nfs/dbraw/zinc/27/11/29/557271129.db2.gz IXJOWDDYUDDZQR-GOTSBPSXSA-N 0 1 445.544 5.250 50 30 IKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccc2c3c(cccc31)CC2 ZINC000100810974 557276425 /nfs/dbraw/zinc/27/64/25/557276425.db2.gz YIEPMKFHDLEAOB-LSHDLFTRSA-N 0 1 431.127 5.920 50 30 IKEAMN CCCCCCC[C@](O)(c1ccc(OCC)cc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000101662259 557293563 /nfs/dbraw/zinc/29/35/63/557293563.db2.gz BDHOAVLJCSZZQQ-IZLXSDGUSA-N 0 1 439.640 5.749 50 30 IKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(NC(=O)c3cc4ccccc4o3)c2)c1O ZINC000102417216 557301790 /nfs/dbraw/zinc/30/17/90/557301790.db2.gz RNVHHGGBHIDJRE-ZMOGYAJESA-N 0 1 431.404 5.058 50 30 IKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3nc(-c4ccc(C(C)(C)C)cc4)oc3c2)c1O ZINC000102417459 557301804 /nfs/dbraw/zinc/30/18/04/557301804.db2.gz RKWVZYUNCHIDHO-VULFUBBASA-N 0 1 445.475 6.165 50 30 IKEAMN C(#Cc1ccc(-c2nc(-c3cccc4ccccc43)c(-c3ccccc3)[nH]2)cc1)c1ccccc1 ZINC000002896349 557310732 /nfs/dbraw/zinc/31/07/32/557310732.db2.gz NTESRUUBWJLLNI-UHFFFAOYSA-N 0 1 446.553 7.964 50 30 IKEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102368965 557318374 /nfs/dbraw/zinc/31/83/74/557318374.db2.gz UJHPSZJFOCZCPG-MOBKVPTQSA-N 0 1 448.906 5.149 50 30 IKEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000102490623 557335040 /nfs/dbraw/zinc/33/50/40/557335040.db2.gz BRFUGELAKLJUHF-MRJHHRETSA-N 0 1 437.854 5.114 50 30 IKEAMN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3F)nc2c(C)c1 ZINC000102532708 557343660 /nfs/dbraw/zinc/34/36/60/557343660.db2.gz AATNAHBSEMHYAL-QOJBNDRUSA-N 0 1 448.475 5.272 50 30 IKEAMN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccccc3F)nc2c(C)c1 ZINC000102532714 557343727 /nfs/dbraw/zinc/34/37/27/557343727.db2.gz AATNAHBSEMHYAL-ASBZNUFUSA-N 0 1 448.475 5.272 50 30 IKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102527988 557354122 /nfs/dbraw/zinc/35/41/22/557354122.db2.gz IEELTGDAKUDOCY-MRJHHRETSA-N 0 1 441.955 5.096 50 30 IKEAMN CCOc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000102667921 557362637 /nfs/dbraw/zinc/36/26/37/557362637.db2.gz RWRNKYRPZNKWEG-YUMACXKZSA-N 0 1 425.484 5.268 50 30 IKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc(Cl)c2)no1 ZINC000102727304 557370316 /nfs/dbraw/zinc/37/03/16/557370316.db2.gz JEOOHVQHZYKLPK-NHFXJNLRSA-N 0 1 434.835 5.009 50 30 IKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000102805936 557386886 /nfs/dbraw/zinc/38/68/86/557386886.db2.gz ITVKISHVGHKKJA-YDJIHCHBSA-N 0 1 434.835 5.009 50 30 IKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)sc1C ZINC000102873355 557396241 /nfs/dbraw/zinc/39/62/41/557396241.db2.gz GYBJYOPLFFSZRR-SELCWUDQSA-N 0 1 442.899 5.179 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000102875870 557397281 /nfs/dbraw/zinc/39/72/81/557397281.db2.gz BTYLXIZFJHYXTB-YDJIHCHBSA-N 0 1 448.450 5.201 50 30 IKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000102895371 557406499 /nfs/dbraw/zinc/40/64/99/557406499.db2.gz YYEFINMTJYEYEN-WOOAAIBNSA-N 0 1 443.286 5.225 50 30 IKEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000102877176 557406732 /nfs/dbraw/zinc/40/67/32/557406732.db2.gz DNSKRIVHMVOPGI-GHNGSUTGSA-N 0 1 448.744 5.324 50 30 IKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C)cc2)o1 ZINC000102929073 557410818 /nfs/dbraw/zinc/41/08/18/557410818.db2.gz AYBPWPNXBJNANW-NHFXJNLRSA-N 0 1 448.475 5.272 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000102930643 557413999 /nfs/dbraw/zinc/41/39/99/557413999.db2.gz DNOPMMFDKDKMMA-NHFXJNLRSA-N 0 1 425.818 5.245 50 30 IKEAMN Cc1cc(C)c(N=C2CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)c(C)c1 ZINC000103746491 557441302 /nfs/dbraw/zinc/44/13/02/557441302.db2.gz XEGZIPBMXLGSNW-NCELDCMTSA-N 0 1 436.558 5.044 50 30 IKEAMN Cc1cc(/N=C/c2cc(Br)cc(Cl)c2O)ccc1NC(=O)c1ccco1 ZINC000225387339 557717411 /nfs/dbraw/zinc/71/74/11/557717411.db2.gz OUGZHCFJRYRYTQ-LSHDLFTRSA-N 0 1 433.689 5.712 50 30 IKEAMN COc1cc(/N=C/c2cc(Cl)cc(Br)c2O)ccc1NC(=O)c1ccco1 ZINC000225438181 557722837 /nfs/dbraw/zinc/72/28/37/557722837.db2.gz ZASLMWARKTZHOU-LSHDLFTRSA-N 0 1 449.688 5.413 50 30 IKEAMN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1O ZINC000008438840 562949418 /nfs/dbraw/zinc/94/94/18/562949418.db2.gz OXJNAMHGUAYTFA-QGOAFFKASA-N 0 1 436.507 6.446 50 30 IKEAMN C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc21 ZINC000058569269 563144676 /nfs/dbraw/zinc/14/46/76/563144676.db2.gz VMOSPCSOWBEFCJ-HOFFSEQDSA-N 0 1 428.532 5.038 50 30 biogenic IKEAMN O=C(Nc1cccc(/N=C/c2cc(Br)cc(Cl)c2O)c1)c1ccccc1 ZINC000000903943 568636213 /nfs/dbraw/zinc/63/62/13/568636213.db2.gz FWOOCBIEEROUCK-FSJBWODESA-N 0 1 429.701 5.811 50 30 IKEAMN Oc1c(Br)cc(Cl)cc1/C=N/c1ccc(-c2nc3ncccc3o2)cc1 ZINC000015135037 568664172 /nfs/dbraw/zinc/66/41/72/568664172.db2.gz VILWPQCOCPULHV-AUEPDCJTSA-N 0 1 428.673 5.762 50 30 IKEAMN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2cccnc2)cc1 ZINC000004035917 568759736 /nfs/dbraw/zinc/75/97/36/568759736.db2.gz CQFWKIXFDAHDJB-RBISFHTESA-N 0 1 449.554 5.701 50 30 IKEAMN Cc1cc(C)c(/N=C2\[C@@H](N3CCCCC3)C3(CCCCC3)C(=O)N2c2ccccc2)c(C)c1 ZINC000015729254 568813359 /nfs/dbraw/zinc/81/33/59/568813359.db2.gz BYFFSGOEORCNAM-XWGMSIGLSA-N 0 1 443.635 6.494 50 30 IKEAMN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cc(Cl)cc(Cl)c1O ZINC000006077185 568821340 /nfs/dbraw/zinc/82/13/40/568821340.db2.gz NKHUQNISLANXKO-HSZRJFAPSA-N 0 1 438.354 7.162 50 30 IKEAMN C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2ccoc2)CC1 ZINC000012040701 568821582 /nfs/dbraw/zinc/82/15/82/568821582.db2.gz VBIPYSAQMCTXRF-UHFFFAOYSA-N 0 1 428.989 5.382 50 30 IKEAMN C(#Cc1ccc(-c2nc(-c3cnc4ccccc4c3)c(-c3ccccc3)[nH]2)cc1)c1ccccc1 ZINC000013810503 568824356 /nfs/dbraw/zinc/82/43/56/568824356.db2.gz ZWFKTYACYSXJCJ-UHFFFAOYSA-N 0 1 447.541 7.359 50 30 IKEAMN COc1cc(C=Nn2c(=S)[nH]nc2-c2ccccc2F)ccc1OCc1ccccc1 ZINC000017027462 568828708 /nfs/dbraw/zinc/82/87/08/568828708.db2.gz HWABTFZEKLXVQE-AFUMVMLFSA-N 0 1 434.496 5.217 50 30 IKEAMN CN(C)c1ccc(C=[NH+][N-]c2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)cc1 ZINC000006144490 568846044 /nfs/dbraw/zinc/84/60/44/568846044.db2.gz CKFUKTAKBTZJTA-WGOQTCKBSA-N 0 1 441.560 5.574 50 30 IKEAMN N#Cc1c(=O)[nH]c(SCCCOc2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 ZINC000015859795 568847899 /nfs/dbraw/zinc/84/78/99/568847899.db2.gz ZPKMUURMLNCIAB-UHFFFAOYSA-N 0 1 432.332 5.589 50 30 IKEAMN CC1(C)C(=S)N(c2cccc(C(F)(F)F)c2)/C(=N/C2CCCCC2)[C@@H]1N1CCCC1 ZINC000015861653 568848401 /nfs/dbraw/zinc/84/84/01/568848401.db2.gz RXUHEUITNJXKRA-GNOYWZPDSA-N 0 1 437.575 6.075 50 30 IKEAMN OC(CC#CCN(Cc1ccccc1)Cc1ccccc1)(c1ccccc1)c1ccccc1 ZINC000019791466 568855170 /nfs/dbraw/zinc/85/51/70/568855170.db2.gz DYNBIXHMDUFZFS-UHFFFAOYSA-N 0 1 431.579 6.018 50 30 IKEAMN C=CC[C@@H]1CC=C[C@@H](C)N1Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 ZINC000020203177 568855919 /nfs/dbraw/zinc/85/59/19/568855919.db2.gz YQUNGKUIQGXXGN-ISKFKSNPSA-N 0 1 442.607 5.053 50 30 IKEAMN O=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1 ZINC000006409334 568894382 /nfs/dbraw/zinc/89/43/82/568894382.db2.gz ZUAMHLSIDAJCBN-OVVQPSECSA-N 0 1 443.528 5.212 50 30 IKEAMN CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(C/C=C/c2ccccc2)CC1 ZINC000052538834 568902231 /nfs/dbraw/zinc/90/22/31/568902231.db2.gz NYPBGSUNIGYVQK-FMIVXFBMSA-N 0 1 435.575 5.065 50 30 IKEAMN CCOc1cc(Br)cc(/C=N/c2cc(C(C)(C)C)cc(Cl)c2O)c1O ZINC000001924006 568923214 /nfs/dbraw/zinc/92/32/14/568923214.db2.gz IHRBIIRXMWOESM-LSHDLFTRSA-N 0 1 426.738 5.961 50 30 IKEAMN CC(C)(C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(Cl)c4O)cc3)nc2c1 ZINC000001921479 568923208 /nfs/dbraw/zinc/92/32/08/568923208.db2.gz YWPUGEQCRQZUGZ-UVHMKAGCSA-N 0 1 439.342 7.555 50 30 IKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000001946549 568923639 /nfs/dbraw/zinc/92/36/39/568923639.db2.gz BRIUIAFLVXPZPX-OPEKNORGSA-N 0 1 431.706 6.835 50 30 IKEAMN CCc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733085 568968552 /nfs/dbraw/zinc/96/85/52/568968552.db2.gz NXIUQVDDGSOMDX-JOCHJYFZSA-N 0 1 427.548 5.848 50 30 IKEAMN CCOc1ccccc1[C@@H]1c2c(n[nH]c2-c2ccc(C)cc2)NC2=C1C(=O)CC(C)(C)C2 ZINC000006733090 568968584 /nfs/dbraw/zinc/96/85/84/568968584.db2.gz DDAVMLKZRZNXQT-QFIPXVFZSA-N 0 1 427.548 5.984 50 30 IKEAMN CCOc1ccccc1[C@H]1c2c(n[nH]c2-c2ccc(C)cc2)NC2=C1C(=O)CC(C)(C)C2 ZINC000006733091 568968743 /nfs/dbraw/zinc/96/87/43/568968743.db2.gz DDAVMLKZRZNXQT-JOCHJYFZSA-N 0 1 427.548 5.984 50 30 IKEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000006782337 568985247 /nfs/dbraw/zinc/98/52/47/568985247.db2.gz SRCXWQQPKIWNSF-VWLOTQADSA-N 0 1 425.528 5.631 50 30 biogenic IKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)C(F)(F)F)[C@H]2c2ccc(Cl)cc2)C1 ZINC000017145570 569174625 /nfs/dbraw/zinc/17/46/25/569174625.db2.gz LBSGRTAVMWOUBO-FQEVSTJZSA-N 0 1 448.872 6.045 50 30 IKEAMN O=C1/C(=C/c2cc(Cl)cc(Cl)c2O)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252627155 569203414 /nfs/dbraw/zinc/20/34/14/569203414.db2.gz RNTWUJDCCSQWMC-JKJUGIAJSA-N 0 1 441.339 6.508 50 30 IKEAMN Cc1ccc2nc(-c3cccc(N=Cc4cc(Cl)cc(Br)c4O)c3)oc2c1 ZINC000252629450 569203938 /nfs/dbraw/zinc/20/39/38/569203938.db2.gz UGEGBPMPBARUDQ-UHFFFAOYSA-N 0 1 441.712 6.675 50 30 IKEAMN CCOc1ccc(N=C2S/C(=C/c3cc(Cl)cc(Cl)c3O)C(=O)N2CC)cc1 ZINC000252641563 569209498 /nfs/dbraw/zinc/20/94/98/569209498.db2.gz ZEWMQOOSMCAZQP-ZZYMSUEGSA-N 0 1 437.348 5.722 50 30 IKEAMN COc1c2c(cc3c1[C@@H](CC(=NO)C(CC=C(C)C)CC=C(C)C)N(C)CC3)OCO2 ZINC000252678332 569210578 /nfs/dbraw/zinc/21/05/78/569210578.db2.gz DXIVGIUXGUGYMH-OAQYLSRUSA-N 0 1 428.573 5.502 50 30 biogenic IKEAMN CCCCC1S/C(=N\N=C\c2ccccc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000002258777 569215472 /nfs/dbraw/zinc/21/54/72/569215472.db2.gz NMMJOEFPUHGEBF-UVQVWFEYSA-N 0 1 445.588 5.873 50 30 IKEAMN CCOc1ccc(/N=C/c2c(O)c(C(=O)Nc3ccccc3OC)cc3ccccc32)cc1 ZINC000027531075 569265755 /nfs/dbraw/zinc/26/57/55/569265755.db2.gz AQGGKWVNVGOXIB-OGLMXYFKSA-N 0 1 440.499 5.956 50 30 IKEAMN CCCC1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2cccc3ccccc32)C1=O ZINC000002340644 569275034 /nfs/dbraw/zinc/27/50/34/569275034.db2.gz SPTWKSVDAFDCRZ-JYAWBRCSSA-N 0 1 446.532 5.382 50 30 IKEAMN CCCCC1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000002354222 569285817 /nfs/dbraw/zinc/28/58/17/569285817.db2.gz WLVVQLIZCFBEMH-UVQVWFEYSA-N 0 1 445.588 5.873 50 30 IKEAMN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCC[C@H](C)C3)C2=O)c2cc(OC)ccc21 ZINC000028182800 569408756 /nfs/dbraw/zinc/40/87/56/569408756.db2.gz CYWOHMRXGGESRQ-MHBHXDGASA-N 0 1 446.547 5.224 50 30 IKEAMN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3C[C@H](C)C[C@H](C)C3)C2=O)c2ccccc21 ZINC000028182838 569408927 /nfs/dbraw/zinc/40/89/27/569408927.db2.gz NZJVEMLDYNICJQ-RMHKOLRHSA-N 0 1 430.548 5.461 50 30 IKEAMN N#Cc1c(=O)[nH]c(-c2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)cc1-c1ccccc1 ZINC000059128844 569459193 /nfs/dbraw/zinc/45/91/93/569459193.db2.gz QCBDENSGVLGQAJ-UHFFFAOYSA-N 0 1 448.913 6.526 50 30 IKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000008743983 569473021 /nfs/dbraw/zinc/47/30/21/569473021.db2.gz SJAHVJFTNQWEOL-GOSISDBHSA-N 0 1 429.259 5.073 50 30 IKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(Cl)c2)sc1C ZINC000008836618 569478103 /nfs/dbraw/zinc/47/81/03/569478103.db2.gz NMFAUXJJCPWEBT-MRXNPFEDSA-N 0 1 430.938 5.258 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000009019859 569497001 /nfs/dbraw/zinc/49/70/01/569497001.db2.gz FMELKJBETFZWAA-HXUWFJFHSA-N 0 1 425.818 5.401 50 30 IKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009086250 569500586 /nfs/dbraw/zinc/50/05/86/569500586.db2.gz VLDHWJMTQONKAI-HSZRJFAPSA-N 0 1 429.516 5.664 50 30 IKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009086251 569500626 /nfs/dbraw/zinc/50/06/26/569500626.db2.gz VLDHWJMTQONKAI-QHCPKHFHSA-N 0 1 429.516 5.664 50 30 IKEAMN CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(-c3ccccc3)c1[C@@H]2c1cccc(Br)c1 ZINC000009152907 569507921 /nfs/dbraw/zinc/50/79/21/569507921.db2.gz XKEPVSNMDWHMTM-LJQANCHMSA-N 0 1 448.364 6.040 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000009240820 569514659 /nfs/dbraw/zinc/51/46/59/569514659.db2.gz RFTARDFVGPVSQP-FQEVSTJZSA-N 0 1 448.450 5.357 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000009272480 569517910 /nfs/dbraw/zinc/51/79/10/569517910.db2.gz IRHZEHRSRKIZRW-FQEVSTJZSA-N 0 1 425.818 5.401 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000009272869 569518039 /nfs/dbraw/zinc/51/80/39/569518039.db2.gz IRHZEHRSRKIZRW-HXUWFJFHSA-N 0 1 425.818 5.401 50 30 IKEAMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000009296483 569520445 /nfs/dbraw/zinc/52/04/45/569520445.db2.gz CDXAPZWHOYAPTG-ZMOGYAJESA-N 0 1 437.908 5.624 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000009357930 569525610 /nfs/dbraw/zinc/52/56/10/569525610.db2.gz OFOKFWYKNUHIHD-HXUWFJFHSA-N 0 1 442.273 5.915 50 30 IKEAMN CCC1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2cccc3ccccc32)C1=O ZINC000009357285 569525624 /nfs/dbraw/zinc/52/56/24/569525624.db2.gz ZETWLCDQKVYEKX-STXSBSPXSA-N 0 1 447.560 5.101 50 30 IKEAMN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000009433801 569534625 /nfs/dbraw/zinc/53/46/25/569534625.db2.gz FBYPDFQFWBGNMS-LJQANCHMSA-N 0 1 428.271 5.365 50 30 IKEAMN CCOc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000009446421 569535876 /nfs/dbraw/zinc/53/58/76/569535876.db2.gz QBVIKVKNAFUIKY-KFGDZMGLSA-N 0 1 425.484 5.268 50 30 IKEAMN CCCCC1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000009457637 569536773 /nfs/dbraw/zinc/53/67/73/569536773.db2.gz ZPBMBACIKDGMLR-HHKSSKBBSA-N 0 1 429.973 5.373 50 30 IKEAMN Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)n1 ZINC000009465023 569537852 /nfs/dbraw/zinc/53/78/52/569537852.db2.gz AIHYJFHSIVRGEY-FQEVSTJZSA-N 0 1 441.512 5.008 50 30 IKEAMN Cc1csc(C(C#N)C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)n1 ZINC000009465023 569537853 /nfs/dbraw/zinc/53/78/53/569537853.db2.gz AIHYJFHSIVRGEY-FQEVSTJZSA-N 0 1 441.512 5.008 50 30 IKEAMN CCCC1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000009465137 569537865 /nfs/dbraw/zinc/53/78/65/569537865.db2.gz AGIIGYPVATZIIW-UVQVWFEYSA-N 0 1 444.604 5.540 50 30 IKEAMN O=C(Nc1cccc2ccccc21)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 ZINC000009553651 569546740 /nfs/dbraw/zinc/54/67/40/569546740.db2.gz BDCLJNHMISTROJ-MZJWZYIUSA-N 0 1 435.310 6.855 50 30 IKEAMN Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2C=NNc2nc3ccccc3s2)c1 ZINC000009553663 569546762 /nfs/dbraw/zinc/54/67/62/569546762.db2.gz ICYVYXZPHUTFGZ-BUVRLJJBSA-N 0 1 448.504 5.417 50 30 IKEAMN COc1ccc([C@@H](CNC(=O)c2ccccc2-c2ccccc2C#N)N2CCCCC2)cc1 ZINC000009596735 569550835 /nfs/dbraw/zinc/55/08/35/569550835.db2.gz TXIYISFXXMHVHN-HHHXNRCGSA-N 0 1 439.559 5.191 50 30 IKEAMN CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(-c3ccccc3)c1[C@@H]2c1ccc(Br)cc1 ZINC000009597505 569550951 /nfs/dbraw/zinc/55/09/51/569550951.db2.gz LMXNIIPRPXQZDN-LJQANCHMSA-N 0 1 448.364 6.040 50 30 IKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000009763870 569566725 /nfs/dbraw/zinc/56/67/25/569566725.db2.gz WHWOLKDIYFNIDC-KRWDZBQOSA-N 0 1 445.327 5.541 50 30 IKEAMN O=C(C[C@@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000009849826 569571383 /nfs/dbraw/zinc/57/13/83/569571383.db2.gz RTQUVIKQMWQVQF-FXFSXJFASA-N 0 1 435.936 5.505 50 30 IKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccccc1-c1ccccc1 ZINC000009948916 569574184 /nfs/dbraw/zinc/57/41/84/569574184.db2.gz QKZDXHAJYTWYFC-WSDLNYQXSA-N 0 1 431.127 6.335 50 30 IKEAMN COc1cccc(OCCn2cc(C=NNc3nc4ccccc4s3)c3ccccc32)c1 ZINC000001851559 569584778 /nfs/dbraw/zinc/58/47/78/569584778.db2.gz IXCFPPQOBDPXBE-WGOQTCKBSA-N 0 1 442.544 5.785 50 30 IKEAMN Brc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000239121053 518211580 /nfs/dbraw/zinc/21/15/80/518211580.db2.gz JEYYRFVFUFXRQW-UHFFFAOYSA-N 0 1 432.365 5.171 50 30 IKEAMN C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1ccc(-c2ccccc2)cc1 ZINC000012465479 518381088 /nfs/dbraw/zinc/38/10/88/518381088.db2.gz VGQLRFOGNGBQPU-VAMRJTSQSA-N 0 1 429.567 6.075 50 30 IKEAMN C=C(C)CN1CCN(c2cc(C)nc3c(-c4ccc(Cl)cc4)c(C(F)(F)F)nn32)CC1 ZINC000021150379 518606826 /nfs/dbraw/zinc/60/68/26/518606826.db2.gz AIUGXWJVMHARPH-UHFFFAOYSA-N 0 1 449.908 5.075 50 30 IKEAMN C=C(C/C=C(\C)CCC=C(C)C)/C(C[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C)=N\O ZINC000061996978 518648778 /nfs/dbraw/zinc/64/87/78/518648778.db2.gz KUNNXNOAUCFJRF-CIPRUOSZSA-N 0 1 440.584 5.812 50 30 biogenic IKEAMN C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346299 518715282 /nfs/dbraw/zinc/71/52/82/518715282.db2.gz WAOLBZJAIINSAT-HSZRJFAPSA-N 0 1 437.559 5.650 50 30 IKEAMN C=CCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036346064 518723396 /nfs/dbraw/zinc/72/33/96/518723396.db2.gz DCPDGJKMCHTHMM-QFIPXVFZSA-N 0 1 437.559 5.651 50 30 IKEAMN C=CCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036303923 518724068 /nfs/dbraw/zinc/72/40/68/518724068.db2.gz GUMQQLNKLVTDPC-QHCPKHFHSA-N 0 1 449.595 5.521 50 30 IKEAMN C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C1CC1 ZINC000036302130 518726691 /nfs/dbraw/zinc/72/66/91/518726691.db2.gz HIOIBCFXHYOZNX-QHCPKHFHSA-N 0 1 447.579 5.273 50 30 IKEAMN C=CCOC[C@@H](O)CN(CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036316306 518983321 /nfs/dbraw/zinc/98/33/21/518983321.db2.gz SOPNAQBCLWQXKK-QHCPKHFHSA-N 0 1 449.595 5.003 50 30 IKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NC[C@H]3CCCO3)[C@H]2c2ccccc2)C1 ZINC000021722109 520262696 /nfs/dbraw/zinc/26/26/96/520262696.db2.gz CTZAQFNJTNQTIO-CLOONOSVSA-N 0 1 445.563 5.192 50 30 IKEAMN CCCCCSc1nc2n(n1)[C@@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000020850888 520273369 /nfs/dbraw/zinc/27/33/69/520273369.db2.gz MUZOMRLUYQAWSG-IBGZPJMESA-N 0 1 431.005 5.872 50 30 IKEAMN CCCC1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000051366930 520896926 /nfs/dbraw/zinc/89/69/26/520896926.db2.gz NRXWTULIFTWMEG-UIAIJNLVSA-N 0 1 431.561 5.483 50 30 IKEAMN CCCC1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000002343693 521256195 /nfs/dbraw/zinc/25/61/95/521256195.db2.gz WCTKBMBMMXFNNY-GPEOYYQRSA-N 0 1 435.980 6.127 50 30 IKEAMN COc1c2c(cc3c1[C@H](CC(/C=C/[C@@H]1C(C)=CCCC1(C)C)=N/O)N(C)CC3)OCO2 ZINC000061992898 521889272 /nfs/dbraw/zinc/88/92/72/521889272.db2.gz SVSPODGIYWQUSW-GGDRDCHLSA-N 0 1 426.557 5.112 50 30 biogenic IKEAMN COc1c2c(cc3c1[C@H](C/C(=N\O)C1=CC[C@@H](CCC=C(C)C)CC1)N(C)CC3)OCO2 ZINC000012858318 521890983 /nfs/dbraw/zinc/89/09/83/521890983.db2.gz PBRQQVMWXPODJH-FNAPCJTRSA-N 0 1 440.584 5.646 50 30 biogenic IKEAMN CCc1ccccc1NC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1cccs1 ZINC000021356087 521893652 /nfs/dbraw/zinc/89/36/52/521893652.db2.gz UGITXKOPXMTIIX-RUZDIDTESA-N 0 1 443.572 6.523 50 30 IKEAMN COc1cc(C=Nn2c(=S)[nH]nc2-c2cccc(C)c2)ccc1OCc1ccccc1 ZINC000009330881 522001813 /nfs/dbraw/zinc/00/18/13/522001813.db2.gz FUMOKTCWMFVFAP-MFKUBSTISA-N 0 1 430.533 5.386 50 30 IKEAMN CNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(OC)cc1 ZINC000021722392 524077220 /nfs/dbraw/zinc/07/72/20/524077220.db2.gz UPRZMAGQQCKCLP-SSOJOUAXSA-N 0 1 443.503 5.002 50 30 IKEAMN Cc1ccc(C)c(NC(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@@H]2c2cccs2)c1 ZINC000021355966 524146826 /nfs/dbraw/zinc/14/68/26/524146826.db2.gz VCSCNWKOKQMZNU-VWLOTQADSA-N 0 1 443.572 6.577 50 30 IKEAMN Cc1ccc(CC2S/C(=N/N=C/c3ccc(Cl)cc3)N(Cc3ccco3)C2=O)cc1 ZINC000012125086 524687500 /nfs/dbraw/zinc/68/75/00/524687500.db2.gz DRQXGNCDEPIHFF-DAMKXSJNSA-N 0 1 437.952 5.318 50 30 IKEAMN Cc1ccc(N2C(=O)C(C)(C)[C@H](N3CCCCC3)/C2=N\C23CC4CC(CC(C4)C2)C3)cc1 ZINC000021152124 524917579 /nfs/dbraw/zinc/91/75/79/524917579.db2.gz VXANDOXHZPFXFR-XOIRIKARSA-N 0 1 433.640 5.590 50 30 IKEAMN Cc1ccc(NC(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@@H]2c2cccs2)cc1C ZINC000021722338 525149678 /nfs/dbraw/zinc/14/96/78/525149678.db2.gz CPCSBTWPGGDKEM-VWLOTQADSA-N 0 1 443.572 6.577 50 30 IKEAMN Cc1ccccc1CSc1nc2n(n1)[C@@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000020850064 525185743 /nfs/dbraw/zinc/18/57/43/525185743.db2.gz DNIAJIIBCUUTBY-FQEVSTJZSA-N 0 1 436.606 5.598 50 30 IKEAMN Cc1ccccc1N=NC(C(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccccc1 ZINC000002075469 525219153 /nfs/dbraw/zinc/21/91/53/525219153.db2.gz NGFRSYJEESVIHS-OOAXWGSJSA-N 0 1 426.303 6.241 50 30 IKEAMN COc1ccc([C@H]2c3c(n[nH]c3-c3cccc([N+](=O)[O-])c3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000020849713 525440828 /nfs/dbraw/zinc/44/08/28/525440828.db2.gz JDILMGGGTVZLCL-HXUWFJFHSA-N 0 1 444.491 5.194 50 30 IKEAMN Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)NC2CCCC2)cc1 ZINC000021722113 525790158 /nfs/dbraw/zinc/79/01/58/525790158.db2.gz RSGYACKTUAFCNT-AREMUKBSSA-N 0 1 443.591 6.264 50 30 IKEAMN Oc1c(Br)cc(Cl)cc1C=Nc1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000012376866 526324663 /nfs/dbraw/zinc/32/46/63/526324663.db2.gz YKOMKCVESYTECY-FOKLQQMPSA-N 0 1 426.701 6.102 50 30 IKEAMN N=C(C=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NOC(=O)c1c(F)cccc1F ZINC000095742698 526846255 /nfs/dbraw/zinc/84/62/55/526846255.db2.gz WUFYRKZPKXRHCD-SNAWJCMRSA-N 0 1 438.274 5.145 50 30 IKEAMN O=C(C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1cccc(Cl)c1 ZINC000001015775 527146302 /nfs/dbraw/zinc/14/63/02/527146302.db2.gz ZSWLOYHPSHLOFC-UOODYVSWSA-N 0 1 435.936 5.505 50 30 IKEAMN O=C(Cc1cccs1)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000012652132 527301627 /nfs/dbraw/zinc/30/16/27/527301627.db2.gz WRUZWXKDTPBPFF-RUZDIDTESA-N 0 1 448.975 6.151 50 30 IKEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccc(F)c1 ZINC000000626568 555512925 /nfs/dbraw/zinc/51/29/25/555512925.db2.gz VSLOTBYHIRQVRY-XMMPIXPASA-N 0 1 440.474 5.128 50 30 IKEAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(Br)cc1 ZINC000000649742 555522464 /nfs/dbraw/zinc/52/24/64/555522464.db2.gz CUAQGFKCHYSLKC-QFIPXVFZSA-N 0 1 439.353 5.612 50 30 IKEAMN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000000682681 555538192 /nfs/dbraw/zinc/53/81/92/555538192.db2.gz ICDDYVJYXMNNCS-OAQYLSRUSA-N 0 1 444.453 5.401 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(C)o1 ZINC000000872437 555575720 /nfs/dbraw/zinc/57/57/20/555575720.db2.gz IGNKQYZXOGECOQ-WINIVTDRSA-N 0 1 426.516 5.899 50 30 IKEAMN Cc1ccc(-c2nc3ncccc3o2)cc1/N=C/c1cc(Cl)cc(Br)c1O ZINC000000989971 555595974 /nfs/dbraw/zinc/59/59/74/555595974.db2.gz OTRJOKXRSCXOLS-YSURURNPSA-N 0 1 442.700 6.070 50 30 IKEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000001120518 555637252 /nfs/dbraw/zinc/63/72/52/555637252.db2.gz COVPLLUFWZDQIK-GGAORHGYSA-N 0 1 433.548 5.050 50 30 IKEAMN O=C(c1cc2ccccc2o1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1 ZINC000001129561 555643630 /nfs/dbraw/zinc/64/36/30/555643630.db2.gz DGPWEHMZLRGBKU-OAQYLSRUSA-N 0 1 433.847 5.458 50 30 IKEAMN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1Cl ZINC000001199304 555677928 /nfs/dbraw/zinc/67/79/28/555677928.db2.gz MMIJTDNGKZNQHE-PPHZAIPVSA-N 0 1 442.946 6.261 50 30 IKEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000001219703 555685438 /nfs/dbraw/zinc/68/54/38/555685438.db2.gz WDLUUDAGFQCRQK-XTXDOFFSSA-N 0 1 445.902 5.531 50 30 IKEAMN CCOc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Cl)c4O)ccc3o2)cc1 ZINC000001885030 555722626 /nfs/dbraw/zinc/72/26/26/555722626.db2.gz SCPWHNVFIRWVJK-BRJLIKDPSA-N 0 1 427.287 6.657 50 30 IKEAMN O=C(Nc1cc(Cl)ccc1Cl)C(N=Nc1ccc(Cl)cc1)C(=O)c1ccccc1 ZINC000002075472 555735697 /nfs/dbraw/zinc/73/56/97/555735697.db2.gz KRMHUPHTIHZVRU-DIBXZPPDSA-N 0 1 446.721 6.586 50 30 IKEAMN Cc1cccc(C)c1NC(=O)C(=NNc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000002087846 555740493 /nfs/dbraw/zinc/74/04/93/555740493.db2.gz XFEOMXUJUXWTTC-MWAVMZGNSA-N 0 1 439.437 5.612 50 30 IKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000002219543 555759338 /nfs/dbraw/zinc/75/93/38/555759338.db2.gz WJDXEUVLCKVSDU-WPWMEQJKSA-N 0 1 442.588 6.366 50 30 IKEAMN Cc1ccc(SCc2cc(=O)[nH]c(NC(=N)Nc3ccccc3-c3ccccc3)n2)cc1 ZINC000002326231 555768994 /nfs/dbraw/zinc/76/89/94/555768994.db2.gz MIIGJRQMVQAZKD-UHFFFAOYSA-N 0 1 441.560 5.096 50 30 IKEAMN CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(N(C)C)cc1 ZINC000003772463 555946701 /nfs/dbraw/zinc/94/67/01/555946701.db2.gz WFCYVGXXJPBHNY-MHZLTWQESA-N 0 1 445.607 6.086 50 30 IKEAMN BrC(=NNc1ccc(Br)cc1Br)c1ccccc1 ZINC000004290538 555983496 /nfs/dbraw/zinc/98/34/96/555983496.db2.gz LCAVXBLQYLZLDG-AQTBWJFISA-N 0 1 432.941 5.380 50 30 IKEAMN COc1ccc(C=Nn2c(=S)[nH]nc2C(F)F)cc1COc1ccc(C(C)(C)C)cc1 ZINC000002791705 556144025 /nfs/dbraw/zinc/14/40/25/556144025.db2.gz MOZWPNDAKZVMBF-BRJLIKDPSA-N 0 1 446.523 5.272 50 30 IKEAMN CCCCOc1cccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000008384120 556160100 /nfs/dbraw/zinc/16/01/00/556160100.db2.gz HUXPANHDIQORGD-QFIPXVFZSA-N 0 1 448.544 5.101 50 30 IKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000008439966 556176132 /nfs/dbraw/zinc/17/61/32/556176132.db2.gz QOVPCICKTARHON-XMMPIXPASA-N 0 1 427.500 5.254 50 30 IKEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008440067 556176137 /nfs/dbraw/zinc/17/61/37/556176137.db2.gz ATQYDIYZLYDUPD-VWLOTQADSA-N 0 1 439.555 6.071 50 30 IKEAMN CCCCOc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)c1 ZINC000008443850 556178395 /nfs/dbraw/zinc/17/83/95/556178395.db2.gz ZQSRUMGIKOTNIK-SANMLTNESA-N 0 1 432.564 6.028 50 30 IKEAMN CCCOc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CC)c1 ZINC000008443854 556178408 /nfs/dbraw/zinc/17/84/08/556178408.db2.gz XBPUHAZGAJUOGE-AREMUKBSSA-N 0 1 432.564 6.028 50 30 IKEAMN CCNC(=S)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000008994611 556239395 /nfs/dbraw/zinc/23/93/95/556239395.db2.gz QVVUBRKUPNRMHT-HSZRJFAPSA-N 0 1 435.593 5.206 50 30 IKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)C(F)(F)F)[C@@H]2c2ccc(F)cc2)C1 ZINC000009044081 556242346 /nfs/dbraw/zinc/24/23/46/556242346.db2.gz GXCUYFSLMHNBHP-HXUWFJFHSA-N 0 1 432.417 5.531 50 30 IKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000009065149 556244433 /nfs/dbraw/zinc/24/44/33/556244433.db2.gz RIUCOGLEHBNCHB-NRFANRHFSA-N 0 1 427.928 5.078 50 30 IKEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009110962 556247768 /nfs/dbraw/zinc/24/77/68/556247768.db2.gz RRJSWOPLLUZWEN-OAQYLSRUSA-N 0 1 437.854 5.271 50 30 IKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(OC)cc1 ZINC000009191631 556254061 /nfs/dbraw/zinc/25/40/61/556254061.db2.gz QZJAJWSFAMOGSR-XRHLQHRESA-N 0 1 442.515 5.599 50 30 IKEAMN O=C(Nc1ccccc1)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000009264146 556270073 /nfs/dbraw/zinc/27/00/73/556270073.db2.gz PTLWWTDWVKTKCF-VWLOTQADSA-N 0 1 443.934 6.552 50 30 IKEAMN COc1ccccc1[C@@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1C(C)=O ZINC000009264315 556270477 /nfs/dbraw/zinc/27/04/77/556270477.db2.gz GHIOUXPTYCHIBO-MRDQGFSESA-N 0 1 428.488 5.209 50 30 IKEAMN Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2C=NNc2nc3ccccc3s2)cc1 ZINC000013942258 556339359 /nfs/dbraw/zinc/33/93/59/556339359.db2.gz UPIASSOMIORTSM-BUVRLJJBSA-N 0 1 448.504 5.417 50 30 IKEAMN Cc1ccc(Sc2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000032828853 556413334 /nfs/dbraw/zinc/41/33/34/556413334.db2.gz HYCGMZNNNSECJW-OAQYLSRUSA-N 0 1 449.532 5.267 50 30 IKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 ZINC000003084972 556518995 /nfs/dbraw/zinc/51/89/95/556518995.db2.gz XOWPEXWAHILTOA-UVHMKAGCSA-N 0 1 433.294 7.411 50 30 IKEAMN CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Cl)c4O)ccc3o2)cc1 ZINC000003090276 556519168 /nfs/dbraw/zinc/51/91/68/556519168.db2.gz YVUVHFZCUJCMQP-UVHMKAGCSA-N 0 1 439.342 7.555 50 30 IKEAMN Cc1ccc(S(=O)(=O)N=C(Nc2cc(Cl)c(O)c(Cl)c2)c2ccccc2)cc1 ZINC000015357161 556522950 /nfs/dbraw/zinc/52/29/50/556522950.db2.gz XTKDHLSWFKTYES-UHFFFAOYSA-N 0 1 435.332 5.255 50 30 IKEAMN COc1ccc(Br)cc1C=Nn1c(=S)[nH]nc1-c1cccc(OC(C)C)c1 ZINC000032577089 556540807 /nfs/dbraw/zinc/54/08/07/556540807.db2.gz VFRUECJFSZJOAM-NHDPSOOVSA-N 0 1 447.358 5.048 50 30 IKEAMN CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000017028617 556653561 /nfs/dbraw/zinc/65/35/61/556653561.db2.gz MZMZUYCKJBITOA-RUZDIDTESA-N 0 1 436.983 6.673 50 30 IKEAMN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000017028046 556653643 /nfs/dbraw/zinc/65/36/43/556653643.db2.gz SDWFGQVANVRFCC-AREMUKBSSA-N 0 1 432.564 5.884 50 30 IKEAMN Cc1ccc2nc(-c3cc(/N=C/c4cc(Cl)cc(Cl)c4O)ccc3Cl)oc2c1 ZINC000003113799 556659413 /nfs/dbraw/zinc/65/94/13/556659413.db2.gz ALHZOSKMWSDBTC-KIBLKLHPSA-N 0 1 431.706 7.220 50 30 IKEAMN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@H]3c3ccco3)C2)cc1 ZINC000018068443 556682679 /nfs/dbraw/zinc/68/26/79/556682679.db2.gz BFVILGZACDUFHH-DCFHFQCYSA-N 0 1 438.527 5.899 50 30 IKEAMN O=C1c2ccccc2C2=C1[C@@H](c1cc(Br)ccc1F)Sc1ccccc1N2 ZINC000018180988 556685880 /nfs/dbraw/zinc/68/58/80/556685880.db2.gz QVMHTKLJLLFRFP-JOCHJYFZSA-N 0 1 438.321 6.455 50 30 IKEAMN Cc1ccc2oc(-c3cccc(/N=C/c4cc(Br)cc(Cl)c4O)c3)nc2c1 ZINC000003115586 556722507 /nfs/dbraw/zinc/72/25/07/556722507.db2.gz SKOKUVMTGCGFHV-BHGWPJFGSA-N 0 1 441.712 6.675 50 30 IKEAMN Brc1cccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 ZINC000019682248 556841867 /nfs/dbraw/zinc/84/18/67/556841867.db2.gz WCKHDOFNDAMKOH-YZSQISJMSA-N 0 1 432.365 5.171 50 30 IKEAMN CCCCCCCCCCCCCCCCSc1nnc(CCCCCCCC)[nH]1 ZINC000097951991 556848703 /nfs/dbraw/zinc/84/87/03/556848703.db2.gz WIKSVOWMRBEWPX-UHFFFAOYSA-N 0 1 437.782 9.281 50 30 IKEAMN CCCCCCCCCCCCCCCCSc1nc(CCCCCCCC)n[nH]1 ZINC000097951991 556848709 /nfs/dbraw/zinc/84/87/09/556848709.db2.gz WIKSVOWMRBEWPX-UHFFFAOYSA-N 0 1 437.782 9.281 50 30 IKEAMN COc1ccc2ccccc2c1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000019850615 556930686 /nfs/dbraw/zinc/93/06/86/556930686.db2.gz GAQHJFQPVLVRQA-TWKHWXDSSA-N 0 1 433.555 5.570 50 30 IKEAMN C/C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 ZINC000019901571 556942026 /nfs/dbraw/zinc/94/20/26/556942026.db2.gz QBOYWXAEFZSXCI-OGLMXYFKSA-N 0 1 436.386 6.105 50 30 IKEAMN CCC(C)(C)[C@@H]1CCc2sc3ncnc(NN=Cc4c(F)cccc4Cl)c3c2C1 ZINC000019924557 556944672 /nfs/dbraw/zinc/94/46/72/556944672.db2.gz PFEWZTWVQXTLCZ-OZHCYYCFSA-N 0 1 430.980 6.471 50 30 IKEAMN C[C@H]1CN(c2ccc(/C=N/c3ccc(O)c(-c4nc5ccccc5s4)c3)o2)C[C@H](C)O1 ZINC000017247413 557042111 /nfs/dbraw/zinc/04/21/11/557042111.db2.gz WWXYEDMQPPLPMT-DMNIGZBVSA-N 0 1 433.533 5.626 50 30 IKEAMN CCCCCCC[C@@](O)(c1ccc(OC)cc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000098048924 557047284 /nfs/dbraw/zinc/04/72/84/557047284.db2.gz BONCPNABCFPOTE-RRPNLBNLSA-N 0 1 425.613 5.359 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000000707464 557140587 /nfs/dbraw/zinc/14/05/87/557140587.db2.gz SXORILIGIJBYLH-HXUWFJFHSA-N 0 1 441.380 5.627 50 30 IKEAMN CCCCCCCCCCCCCCCC(=O)Nc1c(O)ccc2c(C)cc(=O)oc21 ZINC000100023389 557184987 /nfs/dbraw/zinc/18/49/87/557184987.db2.gz BBPGIOUAIMWZKI-UHFFFAOYSA-N 0 1 429.601 7.227 50 30 IKEAMN O=C(Nc1cccnc1)C(=NNc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000100843902 557191454 /nfs/dbraw/zinc/19/14/54/557191454.db2.gz MAQGGHLEDDUYAG-MIXAMLLLSA-N 0 1 446.816 5.043 50 30 IKEAMN CCCCOc1cccc(/N=C/c2cc(Br)cc(Br)c2O)c1 ZINC000100179571 557246032 /nfs/dbraw/zinc/24/60/32/557246032.db2.gz UVQWRJOSHCXJBL-RGVLZGJSSA-N 0 1 427.136 5.847 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000018254417 557254336 /nfs/dbraw/zinc/25/43/36/557254336.db2.gz USRVMCCQMYGPRS-SANMLTNESA-N 0 1 430.592 6.537 50 30 IKEAMN Cc1ccc2oc(-c3ccccc3/N=C/c3cc(Cl)cc(Br)c3O)nc2c1 ZINC000100505832 557262821 /nfs/dbraw/zinc/26/28/21/557262821.db2.gz VRVUEDJWDHEHTP-BHGWPJFGSA-N 0 1 441.712 6.675 50 30 IKEAMN N#Cc1c2c(sc1/N=C\c1cc(Cl)cc(Cl)c1[O-])C[N@H+](Cc1ccccc1)CC2 ZINC000101757396 557297213 /nfs/dbraw/zinc/29/72/13/557297213.db2.gz HOPHACXAULVFIX-RAWMCFOBSA-N 0 1 442.371 5.941 50 30 IKEAMN N#Cc1c2c(sc1/N=C\c1cc(Cl)cc(Cl)c1[O-])C[N@@H+](Cc1ccccc1)CC2 ZINC000101757396 557297214 /nfs/dbraw/zinc/29/72/14/557297214.db2.gz HOPHACXAULVFIX-RAWMCFOBSA-N 0 1 442.371 5.941 50 30 IKEAMN Cc1ccc(/C(CSc2nccn2-c2ncc(C(F)(F)F)cc2Cl)=N\O)cc1 ZINC000100134983 557332185 /nfs/dbraw/zinc/33/21/85/557332185.db2.gz WYIJLEQFAWCCIN-MYYYXRDXSA-N 0 1 426.851 5.219 50 30 IKEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000102490615 557334994 /nfs/dbraw/zinc/33/49/94/557334994.db2.gz BRFUGELAKLJUHF-JBCNATCCSA-N 0 1 437.854 5.114 50 30 IKEAMN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000102503287 557339238 /nfs/dbraw/zinc/33/92/38/557339238.db2.gz GXLJAAWPPLNJED-ASBZNUFUSA-N 0 1 448.475 5.272 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000102619229 557359643 /nfs/dbraw/zinc/35/96/43/557359643.db2.gz JZXZXNHFOCTHJU-YDJIHCHBSA-N 0 1 441.380 5.471 50 30 IKEAMN CCCCOc1ccc(/C=N/N=C2\NC(=O)C(Cc3ccc(CCCC)cc3)S2)cc1 ZINC000011690589 557369843 /nfs/dbraw/zinc/36/98/43/557369843.db2.gz USEAFHQMBMCKAE-HXTHCWADSA-N 0 1 437.609 5.372 50 30 IKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000102805939 557386913 /nfs/dbraw/zinc/38/69/13/557386913.db2.gz ITVKISHVGHKKJA-NHFXJNLRSA-N 0 1 434.835 5.009 50 30 IKEAMN CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000102797494 557389059 /nfs/dbraw/zinc/38/90/59/557389059.db2.gz RTVNIEMZFPPXBH-MRJHHRETSA-N 0 1 432.545 5.063 50 30 IKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccco3)sc2c1 ZINC000102876310 557395622 /nfs/dbraw/zinc/39/56/22/557395622.db2.gz FULXJBHGTYQXPN-NHFXJNLRSA-N 0 1 448.475 5.217 50 30 IKEAMN CN(C)C=[NH+]C([O-])=C(c1ccc(C(=O)c2ccccc2)cc1)c1ccc(Cl)cc1Cl ZINC000100256124 557396030 /nfs/dbraw/zinc/39/60/30/557396030.db2.gz HYVHLYUDGMAOET-QYJQOTDOSA-N 0 1 439.342 5.473 50 30 IKEAMN CCCC1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000004872147 557399848 /nfs/dbraw/zinc/39/98/48/557399848.db2.gz AGIIGYPVATZIIW-MLKPGFSBSA-N 0 1 444.604 5.540 50 30 IKEAMN O=C(C=CNNc1ccc(Cc2ccc(Cl)cc2Cl)nn1)C=Cc1cccs1 ZINC000100329184 557400788 /nfs/dbraw/zinc/40/07/88/557400788.db2.gz VVLVYQFUFRTZEL-IXWMQOLASA-N 0 1 431.348 5.148 50 30 IKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)cc2)sc1C ZINC000102865133 557403951 /nfs/dbraw/zinc/40/39/51/557403951.db2.gz QFQZHKKLTOPBNJ-IBOXJLQUSA-N 0 1 430.938 5.101 50 30 IKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)cc2)sc1C ZINC000102865137 557403986 /nfs/dbraw/zinc/40/39/86/557403986.db2.gz QFQZHKKLTOPBNJ-UYTDBDHRSA-N 0 1 430.938 5.101 50 30 IKEAMN O[C@](C#CCN1CC[C@@H](c2ccccc2)C1)(c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000224123493 557408682 /nfs/dbraw/zinc/40/86/82/557408682.db2.gz ZIVDJFZROQALFF-QLWXXVCSSA-N 0 1 443.590 6.082 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000102926326 557410055 /nfs/dbraw/zinc/41/00/55/557410055.db2.gz CEADUZPXBWGMOR-UYTDBDHRSA-N 0 1 431.300 5.076 50 30 IKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(Cl)c2)sc1C ZINC000102927251 557410428 /nfs/dbraw/zinc/41/04/28/557410428.db2.gz WXJIVONQSKYAPY-IBOXJLQUSA-N 0 1 430.938 5.101 50 30 IKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C)cc2)o1 ZINC000102929072 557410878 /nfs/dbraw/zinc/41/08/78/557410878.db2.gz AYBPWPNXBJNANW-YDJIHCHBSA-N 0 1 448.475 5.272 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000102931202 557412580 /nfs/dbraw/zinc/41/25/80/557412580.db2.gz IYICTCVVUAHZNQ-YDJIHCHBSA-N 0 1 448.450 5.201 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000102931203 557412603 /nfs/dbraw/zinc/41/26/03/557412603.db2.gz IYICTCVVUAHZNQ-NHFXJNLRSA-N 0 1 448.450 5.201 50 30 IKEAMN CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccccc3)cnn1[C@@H]2c1ccc(F)c(F)c1 ZINC000044858950 557538342 /nfs/dbraw/zinc/53/83/42/557538342.db2.gz VBPPTAHUTKQBRZ-JOCHJYFZSA-N 0 1 448.473 5.072 50 30 IKEAMN C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc21 ZINC000004162389 562942389 /nfs/dbraw/zinc/94/23/89/562942389.db2.gz VMOSPCSOWBEFCJ-QRRBZYCPSA-N 0 1 428.532 5.038 50 30 biogenic IKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1cccnc1)c1ccc(Cl)cc1 ZINC000006446969 562946780 /nfs/dbraw/zinc/94/67/80/562946780.db2.gz KLHVXTQDXAFNIP-LJQANCHMSA-N 0 1 447.903 5.128 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccccn1)c1ccc(Cl)cc1 ZINC000006446971 562946806 /nfs/dbraw/zinc/94/68/06/562946806.db2.gz XAEITZFOJLNUGH-IBGZPJMESA-N 0 1 447.903 5.128 50 30 IKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(Oc3ccccc3)c2)no1 ZINC000009349814 562969457 /nfs/dbraw/zinc/96/94/57/562969457.db2.gz VXQIAZGZAQAYKQ-JOCHJYFZSA-N 0 1 442.427 5.151 50 30 IKEAMN O=C(C1CC1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccnc1 ZINC000004035913 568759663 /nfs/dbraw/zinc/75/96/63/568759663.db2.gz MIWCWTRTLAOELW-KDYSTLNUSA-N 0 1 435.527 5.392 50 30 IKEAMN O=C1c2ccccc2C2=C1C(c1ccccc1F)N=C(SCc1cnc(Cl)s1)N2 ZINC000001406993 568787287 /nfs/dbraw/zinc/78/72/87/568787287.db2.gz PHTZGMYJYIDWCB-GOSISDBHSA-N 0 1 441.940 5.477 50 30 IKEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2cccs2)cc1 ZINC000001414720 568790320 /nfs/dbraw/zinc/79/03/20/568790320.db2.gz ADEQEXZDXRBQOC-HSZRJFAPSA-N 0 1 442.540 5.359 50 30 IKEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cccs2)cc1 ZINC000001414719 568790403 /nfs/dbraw/zinc/79/04/03/568790403.db2.gz ADEQEXZDXRBQOC-QHCPKHFHSA-N 0 1 442.540 5.359 50 30 IKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1F ZINC000016731469 568792589 /nfs/dbraw/zinc/79/25/89/568792589.db2.gz IVDPNZJDFYAFMR-DEOSSOPVSA-N 0 1 444.506 5.431 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1cccc(OCC(C)C)c1 ZINC000001457577 568819227 /nfs/dbraw/zinc/81/92/27/568819227.db2.gz UJWDWCLPKQFNQL-HHHXNRCGSA-N 0 1 446.591 6.274 50 30 IKEAMN C#CCn1c2cc(OC)ccc2cc(CN[C@H](c2ccccc2)c2ccc(Cl)cc2)c1=O ZINC000014994569 568827841 /nfs/dbraw/zinc/82/78/41/568827841.db2.gz FNXGAIPLDSYUKP-AREMUKBSSA-N 0 1 442.946 5.176 50 30 IKEAMN CC1(C)C(=S)N(c2ccc(C#N)cc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@H]1N1CCCC1 ZINC000015861660 568848373 /nfs/dbraw/zinc/84/83/73/568848373.db2.gz DATKXTKVNMQNCR-VQGADMMLSA-N 0 1 446.664 5.564 50 30 IKEAMN CC[NH+](CC)[C@H](C#Cc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000020052307 568855700 /nfs/dbraw/zinc/85/57/00/568855700.db2.gz YBCOVPXPVIFYJE-AREMUKBSSA-N 0 1 432.589 5.230 50 30 IKEAMN O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1cc(Cl)cc(Br)c1O ZINC000001885895 568917659 /nfs/dbraw/zinc/91/76/59/568917659.db2.gz ANCLOAMUTAUGAT-MLPAPPSSSA-N 0 1 444.137 5.353 50 30 IKEAMN CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c1 ZINC000001948870 568923580 /nfs/dbraw/zinc/92/35/80/568923580.db2.gz ZVIFEYBAIZYPAK-MZJWZYIUSA-N 0 1 428.359 7.044 50 30 IKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(F)c1 ZINC000017159994 569175105 /nfs/dbraw/zinc/17/51/05/569175105.db2.gz GGXZFQFEPIKPTM-MMTVBGGISA-N 0 1 440.518 6.136 50 30 IKEAMN N#Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(Cl)c1 ZINC000002150179 569186265 /nfs/dbraw/zinc/18/62/65/569186265.db2.gz BTWJZFNTNCMHIP-UHFFFAOYSA-N 0 1 428.741 5.050 50 30 IKEAMN CCCCc1ccc(N=Cc2cc(Br)cc(Br)c2O)c(C)c1 ZINC000252593442 569192818 /nfs/dbraw/zinc/19/28/18/569192818.db2.gz BJVMJZXJBPRJDO-UHFFFAOYSA-N 0 1 425.164 6.319 50 30 IKEAMN CCN(CC)c1nc(=NN=Cc2ccc(Cl)cc2Cl)nc(NCc2ccccc2)[nH]1 ZINC000252596575 569193281 /nfs/dbraw/zinc/19/32/81/569193281.db2.gz CKSWAVBXTMPXFF-UHFFFAOYSA-N 0 1 444.370 5.083 50 30 IKEAMN Oc1c(Cl)cc(Cl)cc1CN=Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000252598219 569193408 /nfs/dbraw/zinc/19/34/08/569193408.db2.gz CYIIRMAPQJFOFV-UHFFFAOYSA-N 0 1 433.147 6.575 50 30 IKEAMN Cc1ccc2c(c1)c1c3n2CCN(CC(=NO)c2ccc(Br)cc2)[C@@H]3CCC1 ZINC000252600904 569193760 /nfs/dbraw/zinc/19/37/60/569193760.db2.gz DVMIVQQSTIZTJJ-JOCHJYFZSA-N 0 1 438.369 5.284 50 30 IKEAMN CCn1c2ccccc2c2cc(C=NN3CCN(Cc4cccc5ccccc54)CC3)ccc21 ZINC000252601939 569193920 /nfs/dbraw/zinc/19/39/20/569193920.db2.gz FEHGYSRKLNBPIC-UHFFFAOYSA-N 0 1 446.598 6.119 50 30 IKEAMN Cc1ccc(-c2nc3ccccc3[nH]2)cc1N=Cc1cc(Br)cc(Cl)c1O ZINC000252617416 569197673 /nfs/dbraw/zinc/19/76/73/569197673.db2.gz KSJYUJRNBIRKMZ-UHFFFAOYSA-N 0 1 440.728 6.410 50 30 IKEAMN CCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(c2ccccc2)C1=O ZINC000252618609 569198185 /nfs/dbraw/zinc/19/81/85/569198185.db2.gz LIPNXQLBCIZNOH-JOCHJYFZSA-N 0 1 445.544 5.250 50 30 IKEAMN CCCCN(CCCC)CN1c2ccccc2C(=Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000252623898 569202285 /nfs/dbraw/zinc/20/22/85/569202285.db2.gz PBTLERKYNVHDRK-UHFFFAOYSA-N 0 1 432.395 6.321 50 30 IKEAMN Oc1c(Br)cc(Br)cc1C=Nc1ccc2c(c1)oc1ccccc12 ZINC000252636287 569208095 /nfs/dbraw/zinc/20/80/95/569208095.db2.gz XGKWEWUSJCSWDJ-UHFFFAOYSA-N 0 1 445.110 6.567 50 30 IKEAMN CCCC1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O ZINC000002259235 569215440 /nfs/dbraw/zinc/21/54/40/569215440.db2.gz XFDTZFCNPVJKED-HMUJPTBDSA-N 0 1 429.589 6.091 50 30 IKEAMN Oc1c(Br)cc2oc3c(c2c1/C=N/c1cccc(Br)c1)CCCC3 ZINC000002294220 569268125 /nfs/dbraw/zinc/26/81/25/569268125.db2.gz KXWVTGKSBVUCEJ-LSHDLFTRSA-N 0 1 449.142 6.293 50 30 IKEAMN CC(=O)Nc1ccc(/N=C/c2c(O)c(C(=O)Nc3ccccc3C)cc3ccccc32)cc1 ZINC000002299767 569269190 /nfs/dbraw/zinc/26/91/90/569269190.db2.gz RVNBRYXOGRKJOT-LQKURTRISA-N 0 1 437.499 5.815 50 30 IKEAMN CN1c2ccccc2C(C)(C)/C1=C\N=C1C(=O)C=C(N2CCc3ccccc32)c2ccccc21 ZINC000334156993 569285661 /nfs/dbraw/zinc/28/56/61/569285661.db2.gz XTARLDHTHIAOSF-DIUWSDNBSA-N 0 1 445.566 5.731 50 30 IKEAMN CCCCC1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000002356454 569286019 /nfs/dbraw/zinc/28/60/19/569286019.db2.gz ZPBMBACIKDGMLR-DJJQPEHWSA-N 0 1 429.973 5.373 50 30 IKEAMN O[C@@](C#CCN1CC[C@H](c2ccccc2)C1)(c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000096194498 569386337 /nfs/dbraw/zinc/38/63/37/569386337.db2.gz ZIVDJFZROQALFF-NYDCQLBNSA-N 0 1 443.590 6.082 50 30 IKEAMN Cc1cccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(Br)c4O)cc3)nc21 ZINC000003114094 569440416 /nfs/dbraw/zinc/44/04/16/569440416.db2.gz POJGHKIWTUVOLX-BHGWPJFGSA-N 0 1 441.712 6.675 50 30 IKEAMN CCCCCCCCn1cnc2c1cc(C)c(C)c2NS(=O)(=O)c1ccc(F)cc1 ZINC000003133376 569440750 /nfs/dbraw/zinc/44/07/50/569440750.db2.gz GUPIAZWFONRQDV-UHFFFAOYSA-N 0 1 431.577 5.954 50 30 IKEAMN CCCCCCCCOc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccccc1 ZINC000003158166 569441002 /nfs/dbraw/zinc/44/10/02/569441002.db2.gz OKFNIQJJKNNDNR-JOCHJYFZSA-N 0 1 437.565 5.408 50 30 IKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1cccnc1 ZINC000004074964 569458656 /nfs/dbraw/zinc/45/86/56/569458656.db2.gz NSTOXWAGNZTKNY-NIYFSFCBSA-N 0 1 427.479 5.141 50 30 IKEAMN CCOC(=O)c1c(C)c(C(C)=O)sc1N=Cc1cc(Cl)cc(Br)c1O ZINC000004150634 569460524 /nfs/dbraw/zinc/46/05/24/569460524.db2.gz YCLKCQNDPOATAO-IFRROFPPSA-N 0 1 444.734 5.308 50 30 IKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccco3)sc2c1 ZINC000008744191 569473045 /nfs/dbraw/zinc/47/30/45/569473045.db2.gz HQBSUXMKMRRYCF-SFHVURJKSA-N 0 1 436.514 5.296 50 30 IKEAMN C[C@@H](NC(=O)CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1 ZINC000008763348 569474386 /nfs/dbraw/zinc/47/43/86/569474386.db2.gz ZTAJNUUCTRKCMJ-IAYWTGDDSA-N 0 1 429.545 5.090 50 30 IKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)sc1C ZINC000008818091 569476941 /nfs/dbraw/zinc/47/69/41/569476941.db2.gz UMCKCXRFQIFVNZ-SFHVURJKSA-N 0 1 442.899 5.335 50 30 IKEAMN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3F)nc2c(C)c1 ZINC000009008481 569496215 /nfs/dbraw/zinc/49/62/15/569496215.db2.gz YURCHJWWJHELMJ-HXUWFJFHSA-N 0 1 448.475 5.428 50 30 IKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009019404 569496938 /nfs/dbraw/zinc/49/69/38/569496938.db2.gz WPKZLRUQCYVOOI-QHCPKHFHSA-N 0 1 445.515 5.364 50 30 IKEAMN Clc1ccc(C=NNc2nc(-c3ccccc3Cl)nc3ccccc32)c(Cl)c1 ZINC000009034260 569497245 /nfs/dbraw/zinc/49/72/45/569497245.db2.gz HBLQDBGVYGYQRM-BRJLIKDPSA-N 0 1 427.722 6.703 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000009144941 569507402 /nfs/dbraw/zinc/50/74/02/569507402.db2.gz XNHVBEDLRGEMGZ-IBGZPJMESA-N 0 1 425.271 5.171 50 30 IKEAMN COc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009152918 569507909 /nfs/dbraw/zinc/50/79/09/569507909.db2.gz LWOYRPHWLYYKAS-FQEVSTJZSA-N 0 1 433.939 5.939 50 30 IKEAMN COc1ccc([C@H]2c3c(n[nH]c3-c3ccc(C)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000009152915 569507961 /nfs/dbraw/zinc/50/79/61/569507961.db2.gz KBQUSGHVQXUMDC-JOCHJYFZSA-N 0 1 443.547 5.603 50 30 IKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3)sc2c1 ZINC000009184902 569509965 /nfs/dbraw/zinc/50/99/65/569509965.db2.gz KWIUMPRZTZTLAA-HXUWFJFHSA-N 0 1 446.484 5.071 50 30 IKEAMN CCC1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000009196754 569510971 /nfs/dbraw/zinc/51/09/71/569510971.db2.gz DDCGVESJPRQDSU-WCQPBMKCSA-N 0 1 430.577 5.150 50 30 IKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)sc1C ZINC000009240905 569514663 /nfs/dbraw/zinc/51/46/63/569514663.db2.gz ZSMVMWZZOMPXAK-SFHVURJKSA-N 0 1 442.899 5.335 50 30 IKEAMN CCCC1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000009271996 569517827 /nfs/dbraw/zinc/51/78/27/569517827.db2.gz FMMOZPPXADXNAA-FIPJQYBPSA-N 0 1 448.361 5.222 50 30 IKEAMN O=C(C1CC1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccs1 ZINC000009272083 569517872 /nfs/dbraw/zinc/51/78/72/569517872.db2.gz ZHQYSJCZMJRFFK-AFMDSPMNSA-N 0 1 440.568 6.059 50 30 IKEAMN CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000009329784 569523006 /nfs/dbraw/zinc/52/30/06/569523006.db2.gz YVTSYDJOBBLGTG-PCLIKHOPSA-N 0 1 430.533 5.468 50 30 IKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C)cc2)o1 ZINC000009334183 569523212 /nfs/dbraw/zinc/52/32/12/569523212.db2.gz RQOJFBYTQYKVCY-FQEVSTJZSA-N 0 1 448.475 5.428 50 30 IKEAMN CCCCOc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CC)c1 ZINC000009358290 569525619 /nfs/dbraw/zinc/52/56/19/569525619.db2.gz WYVIQTDQUKLAOC-MHZLTWQESA-N 0 1 446.591 6.419 50 30 IKEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000009358757 569525732 /nfs/dbraw/zinc/52/57/32/569525732.db2.gz OHYCVEFUXLAKRX-NRFANRHFSA-N 0 1 437.854 5.271 50 30 IKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccccc3F)sc2c1 ZINC000009359941 569525826 /nfs/dbraw/zinc/52/58/26/569525826.db2.gz IXRMAEKRFREINH-FQEVSTJZSA-N 0 1 448.475 5.374 50 30 IKEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009424259 569533096 /nfs/dbraw/zinc/53/30/96/569533096.db2.gz UUMOJUBWCNJEIZ-JLCFBVMHSA-N 0 1 449.890 5.035 50 30 IKEAMN CCCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O ZINC000009424823 569533143 /nfs/dbraw/zinc/53/31/43/569533143.db2.gz FFUJAZBXOGCWLY-WCQPBMKCSA-N 0 1 431.561 5.483 50 30 IKEAMN Cc1ccccc1NC(=O)c1cc2ccccc2c(/C=N/c2cc(Cl)ccc2Cl)c1O ZINC000009425510 569533177 /nfs/dbraw/zinc/53/31/77/569533177.db2.gz OFKQHTSYZXGGPQ-CCVNUDIWSA-N 0 1 449.337 7.164 50 30 IKEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000009433843 569534663 /nfs/dbraw/zinc/53/46/63/569534663.db2.gz QTVOMAAFYBSOLN-JOCHJYFZSA-N 0 1 446.459 5.090 50 30 IKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000009461674 569537120 /nfs/dbraw/zinc/53/71/20/569537120.db2.gz ISLGWEDFAXFHSJ-LJQANCHMSA-N 0 1 443.286 5.381 50 30 IKEAMN CCCCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2C)C1=O ZINC000009462663 569537294 /nfs/dbraw/zinc/53/72/94/569537294.db2.gz QPSMUHWMGMTHMJ-MLKPGFSBSA-N 0 1 429.589 6.173 50 30 IKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Cl)c2)no1 ZINC000009471320 569538966 /nfs/dbraw/zinc/53/89/66/569538966.db2.gz RIBUWDHKJOHVJO-GOSISDBHSA-N 0 1 429.259 5.073 50 30 IKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(C)o3)sc2c1 ZINC000009507991 569542161 /nfs/dbraw/zinc/54/21/61/569542161.db2.gz LDDROXNLIOQZAQ-HXUWFJFHSA-N 0 1 448.500 5.444 50 30 IKEAMN COc1cc([C@H]2C3C(=O)CCCC3=Nc3ccccc3N2C(=O)c2ccccc2)ccc1O ZINC000009553427 569546721 /nfs/dbraw/zinc/54/67/21/569546721.db2.gz SAVWUDZQPJJYQN-SANMLTNESA-N 0 1 440.499 5.222 50 30 IKEAMN CCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000009861340 569572026 /nfs/dbraw/zinc/57/20/26/569572026.db2.gz YWXRZJRAAOSIAX-HSZRJFAPSA-N 0 1 429.347 6.300 50 30 IKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)cc1Cl ZINC000009969589 569576088 /nfs/dbraw/zinc/57/60/88/569576088.db2.gz VNIBCCUKEMSFMR-OAQYLSRUSA-N 0 1 437.879 5.110 50 30 IKEAMN CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000009969606 569576105 /nfs/dbraw/zinc/57/61/05/569576105.db2.gz DHZZBLSWDRXUME-HSZRJFAPSA-N 0 1 443.455 5.203 50 30 IKEAMN C=C(C)COc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C(C)C)cc1 ZINC000096115510 518613960 /nfs/dbraw/zinc/61/39/60/518613960.db2.gz LKRCLRWRIKGYHO-UHFFFAOYSA-N 0 1 445.475 5.238 50 30 biogenic IKEAMN C=CCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036342096 518713013 /nfs/dbraw/zinc/71/30/13/518713013.db2.gz KLUNIVGFUBSWIU-HSZRJFAPSA-N 0 1 437.559 5.651 50 30 IKEAMN C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 ZINC000036345890 518725251 /nfs/dbraw/zinc/72/52/51/518725251.db2.gz MLGAVALASYYZKP-DEOSSOPVSA-N 0 1 431.580 5.573 50 30 IKEAMN C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036346030 518725968 /nfs/dbraw/zinc/72/59/68/518725968.db2.gz IJSJJTVOWIJOKW-QFIPXVFZSA-N 0 1 435.543 5.404 50 30 IKEAMN C=CCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036345930 518991839 /nfs/dbraw/zinc/99/18/39/518991839.db2.gz BTNKXNDHPBLBFH-XMMPIXPASA-N 0 1 449.595 5.057 50 30 IKEAMN CCCNC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000021722891 519883945 /nfs/dbraw/zinc/88/39/45/519883945.db2.gz AIWDFLWXFYSPMZ-XMMPIXPASA-N 0 1 433.552 5.431 50 30 IKEAMN CCNC(=S)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000008997103 519903441 /nfs/dbraw/zinc/90/34/41/519903441.db2.gz QVVUBRKUPNRMHT-QHCPKHFHSA-N 0 1 435.593 5.206 50 30 IKEAMN CC1(C)CC(=O)C2=C(C1)Nc1cc(-c3ccc([N+](=O)[O-])cc3)nn1[C@@H]2c1ccc(Cl)cc1 ZINC000021658655 520259446 /nfs/dbraw/zinc/25/94/46/520259446.db2.gz OFBJWBOXZRGQKN-HSZRJFAPSA-N 0 1 448.910 5.770 50 30 IKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NC[C@@H]3CCCO3)[C@H]2c2ccccc2)C1 ZINC000021722107 520262218 /nfs/dbraw/zinc/26/22/18/520262218.db2.gz CTZAQFNJTNQTIO-DFBJGRDBSA-N 0 1 445.563 5.192 50 30 IKEAMN CCOc1ccc(-n2c(C)cc([C@@H]3c4c(C)n[nH]c4NC4=C3C(=O)CC(C)(C)C4)c2C)cc1 ZINC000012583543 520832518 /nfs/dbraw/zinc/83/25/18/520832518.db2.gz XHAYHRUOCUGOEQ-XMMPIXPASA-N 0 1 444.579 5.725 50 30 IKEAMN CCCCC1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O ZINC000013617276 521118478 /nfs/dbraw/zinc/11/84/78/521118478.db2.gz LEHKLFXCYIZPJE-AKBOQNEDSA-N 0 1 443.616 6.481 50 30 IKEAMN CCCCC1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000051366985 521118875 /nfs/dbraw/zinc/11/88/75/521118875.db2.gz WLVVQLIZCFBEMH-MLKPGFSBSA-N 0 1 445.588 5.873 50 30 IKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000012648741 521168178 /nfs/dbraw/zinc/16/81/78/521168178.db2.gz YLNFDTSZCDVHIG-WGDIFIGCSA-N 0 1 446.934 6.244 50 30 IKEAMN CCOc1ccccc1NC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000096179145 521532474 /nfs/dbraw/zinc/53/24/74/521532474.db2.gz LIPNXQLBCIZNOH-PSCYQSDVSA-N 0 1 445.544 5.250 50 30 IKEAMN CCOCCCNC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccccc1 ZINC000021722869 521711875 /nfs/dbraw/zinc/71/18/75/521711875.db2.gz SLRMXMXCJNOQNQ-VWLOTQADSA-N 0 1 447.579 5.439 50 30 IKEAMN COc1cc(/N=C/c2cc(Br)cc(Br)c2O)c(OC)cc1Cl ZINC000086040449 522012200 /nfs/dbraw/zinc/01/22/00/522012200.db2.gz ITKLRNMLTDZGIO-FBCYGCLPSA-N 0 1 449.526 5.338 50 30 IKEAMN CN(CC#CC[C@](O)(c1ccccc1)c1ccc(-c2ccccc2)cc1)Cc1ccccc1 ZINC000057234784 522417250 /nfs/dbraw/zinc/41/72/50/522417250.db2.gz YHYCFPHOWSVNKM-HKBQPEDESA-N 0 1 431.579 6.115 50 30 IKEAMN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@H+]3CCCC[C@@H]3C)C2=O)c2cc(OC)ccc21 ZINC000020649756 523305577 /nfs/dbraw/zinc/30/55/77/523305577.db2.gz MMZUPYWJHZJXHG-GDQCRLHRSA-N 0 1 446.547 5.366 50 30 IKEAMN CCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2cccc3ccccc32)C1=O ZINC000013597214 523420807 /nfs/dbraw/zinc/42/08/07/523420807.db2.gz SGZYKMMJIROBTI-WWFKBGPPSA-N 0 1 437.568 6.237 50 30 IKEAMN COc1ccc(Br)cc1C=Nn1c(=S)[nH]nc1-c1ccc(C(C)(C)C)cc1 ZINC000002358307 523490972 /nfs/dbraw/zinc/49/09/72/523490972.db2.gz CGUCMZYRDIPULM-WSDLNYQXSA-N 0 1 445.386 5.558 50 30 IKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009041174 523566472 /nfs/dbraw/zinc/56/64/72/523566472.db2.gz DYQWWXXDCPZJAQ-HSZRJFAPSA-N 0 1 431.488 5.190 50 30 IKEAMN CCC1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000013617239 523606294 /nfs/dbraw/zinc/60/62/94/523606294.db2.gz HUHMPQIMRFPRLA-BQHJCBTJSA-N 0 1 447.560 5.101 50 30 IKEAMN CCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2cccc3ccccc32)C1=O ZINC000009380052 523607480 /nfs/dbraw/zinc/60/74/80/523607480.db2.gz SGZYKMMJIROBTI-IOYLVGNBSA-N 0 1 437.568 6.237 50 30 IKEAMN CNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(OC)cc1 ZINC000021722388 524077095 /nfs/dbraw/zinc/07/70/95/524077095.db2.gz UPRZMAGQQCKCLP-CRICUBBOSA-N 0 1 443.503 5.002 50 30 IKEAMN CNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(OC)cc1 ZINC000021722386 524077116 /nfs/dbraw/zinc/07/71/16/524077116.db2.gz UPRZMAGQQCKCLP-NSYGIPOTSA-N 0 1 443.503 5.002 50 30 IKEAMN Cc1cc(C)cc(NC(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@H]2c2cccs2)c1 ZINC000021722336 524427864 /nfs/dbraw/zinc/42/78/64/524427864.db2.gz TVHYJLMBXAXXSD-RUZDIDTESA-N 0 1 443.572 6.577 50 30 IKEAMN COc1ccc([C@@H]2c3c(n[nH]c3-c3cccc([N+](=O)[O-])c3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000020849716 525278730 /nfs/dbraw/zinc/27/87/30/525278730.db2.gz JDILMGGGTVZLCL-FQEVSTJZSA-N 0 1 444.491 5.194 50 30 IKEAMN Cc1ccc(C(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000012652104 526143538 /nfs/dbraw/zinc/14/35/38/526143538.db2.gz IMIYEASXSPIHHA-SANMLTNESA-N 0 1 442.946 6.469 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1)c1ccccc1Cl ZINC000012689195 526272049 /nfs/dbraw/zinc/27/20/49/526272049.db2.gz HBKUQAPSXBYYDG-INIZCTEOSA-N 0 1 431.300 5.233 50 30 IKEAMN O=C(C1CCCCC1)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000012652126 526300659 /nfs/dbraw/zinc/30/06/59/526300659.db2.gz BGINIRZEPREMEX-RUZDIDTESA-N 0 1 434.967 6.427 50 30 IKEAMN Oc1c(Br)cc(Br)cc1/C=N/Cc1ccccc1C(F)(F)F ZINC000100330897 526321840 /nfs/dbraw/zinc/32/18/40/526321840.db2.gz DOQQUUUNUVMQCC-ODCIPOBUSA-N 0 1 437.053 5.555 50 30 IKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1Oc1cccc(F)c1 ZINC000012428789 526324432 /nfs/dbraw/zinc/32/44/32/526324432.db2.gz RKAOJRQMZTWADG-YPXUMCKCSA-N 0 1 444.211 7.400 50 30 IKEAMN Oc1c(Br)cc(Cl)cc1C=Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 ZINC000022001387 526324473 /nfs/dbraw/zinc/32/44/73/526324473.db2.gz JFXKDJXTNOKHGC-YSURURNPSA-N 0 1 444.691 6.241 50 30 IKEAMN Fc1ccc(CN2CCC(CCc3ccc(C(F)(F)F)cc3)CC2)cc1C(F)(F)F ZINC000022630711 526331536 /nfs/dbraw/zinc/33/15/36/526331536.db2.gz UDSFJKFCETYDMS-UHFFFAOYSA-N 0 1 433.411 6.708 50 30 IKEAMN Oc1c(I)cc2oc3c(c2c1/C=N/C1CCCCCC1)CCCC3 ZINC000012491349 526331608 /nfs/dbraw/zinc/33/16/08/526331608.db2.gz GRBFZNXJOWEFAS-WSDLNYQXSA-N 0 1 437.321 5.764 50 30 IKEAMN O=C(c1cccc2ccccc21)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1 ZINC000012652178 526785035 /nfs/dbraw/zinc/78/50/35/526785035.db2.gz GRHIJDUPTQCUDF-LJAQVGFWSA-N 0 1 444.534 6.661 50 30 IKEAMN N#Cc1nc(COc2ccc(Cl)cc2)oc1NC[C@@H](c1cccs1)N1CCCCC1 ZINC000035671635 526786502 /nfs/dbraw/zinc/78/65/02/526786502.db2.gz CKKDBZCUEXCCPG-IBGZPJMESA-N 0 1 442.972 5.479 50 30 IKEAMN Clc1ccc(-c2nc3ccc(N=Cc4cccc(Br)c4)cc3[nH]2)c(Cl)c1 ZINC000013550458 526936314 /nfs/dbraw/zinc/93/63/14/526936314.db2.gz YUGJGHIOFVXWQU-BHGWPJFGSA-N 0 1 445.147 7.050 50 30 IKEAMN O=C(Nc1ccc(F)cc1)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1cccs1 ZINC000021722354 527200702 /nfs/dbraw/zinc/20/07/02/527200702.db2.gz UXMJPCZSTGZVAR-QHCPKHFHSA-N 0 1 433.508 6.100 50 30 IKEAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(Br)cc1 ZINC000000649740 555522478 /nfs/dbraw/zinc/52/24/78/555522478.db2.gz CUAQGFKCHYSLKC-JOCHJYFZSA-N 0 1 439.353 5.612 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccccc1O[C@H](C)CC ZINC000000671962 555531541 /nfs/dbraw/zinc/53/15/41/555531541.db2.gz BELHMXOTTYPSEN-DNOBIOAJSA-N 0 1 446.591 6.417 50 30 IKEAMN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N[C@H]3c3c[nH]c4ccccc43)C2)cc1 ZINC000000681731 555537434 /nfs/dbraw/zinc/53/74/34/555537434.db2.gz SGENHWCBNUIGCF-JMQGSBJISA-N 0 1 435.527 6.156 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(C)o1 ZINC000000872436 555575549 /nfs/dbraw/zinc/57/55/49/555575549.db2.gz IGNKQYZXOGECOQ-XHCCPWGMSA-N 0 1 426.516 5.899 50 30 IKEAMN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000000986590 555595116 /nfs/dbraw/zinc/59/51/16/555595116.db2.gz ZTASUGYKTPNPGU-BCHFMIIMSA-N 0 1 442.584 6.305 50 30 IKEAMN O=C(c1cc2ccccc2o1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1 ZINC000001129556 555643666 /nfs/dbraw/zinc/64/36/66/555643666.db2.gz DGPWEHMZLRGBKU-NRFANRHFSA-N 0 1 433.847 5.458 50 30 IKEAMN CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000001187429 555674905 /nfs/dbraw/zinc/67/49/05/555674905.db2.gz IXJOWDDYUDDZQR-YMVPSHTBSA-N 0 1 445.544 5.250 50 30 IKEAMN CCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000001187433 555674974 /nfs/dbraw/zinc/67/49/74/555674974.db2.gz IXJOWDDYUDDZQR-MCMRFMRISA-N 0 1 445.544 5.250 50 30 IKEAMN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1Cl ZINC000001199302 555677873 /nfs/dbraw/zinc/67/78/73/555677873.db2.gz MMIJTDNGKZNQHE-UZTOHYMASA-N 0 1 442.946 6.261 50 30 IKEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000001219701 555685344 /nfs/dbraw/zinc/68/53/44/555685344.db2.gz WDLUUDAGFQCRQK-NRESZANFSA-N 0 1 445.902 5.531 50 30 IKEAMN O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C\c1cc(Cl)cc(Br)c1O ZINC000002085889 555739800 /nfs/dbraw/zinc/73/98/00/555739800.db2.gz JHOPXYJZQZLVBC-MLPAPPSSSA-N 0 1 444.137 5.353 50 30 IKEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000002297106 555766564 /nfs/dbraw/zinc/76/65/64/555766564.db2.gz UKHMSCAXIQKJQL-MFKUBSTISA-N 0 1 446.532 5.086 50 30 IKEAMN Oc1ccc2ccccc2c1C=Nn1c(=S)[nH]nc1-c1ccccc1Br ZINC000002304342 555766915 /nfs/dbraw/zinc/76/69/15/555766915.db2.gz CLGBXVDKMTUISC-SRZZPIQSSA-N 0 1 425.311 5.111 50 30 IKEAMN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@H]3c3ccco3)C2)cc1 ZINC000006498941 556091633 /nfs/dbraw/zinc/09/16/33/556091633.db2.gz VKWBHSAKGOIDEP-DWXRJYCRSA-N 0 1 428.488 5.209 50 30 IKEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1O ZINC000003035847 556162789 /nfs/dbraw/zinc/16/27/89/556162789.db2.gz DJNZEVGQICJWKW-DHRITJCHSA-N 0 1 431.448 5.875 50 30 IKEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccccc4Cl)nc3c2)c1O ZINC000008435550 556173379 /nfs/dbraw/zinc/17/33/79/556173379.db2.gz CFKLCGMKDSMTPD-WYMPLXKRSA-N 0 1 437.839 5.911 50 30 IKEAMN Cc1c(-n2cccc2)cc2c(c1/N=C/c1cc(Cl)cc(Cl)c1O)C(C)(C)CC2(C)C ZINC000008629796 556194085 /nfs/dbraw/zinc/19/40/85/556194085.db2.gz YHJZIHIXZJCBGR-XODNFHPESA-N 0 1 441.402 7.508 50 30 IKEAMN Cc1cccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)c1C ZINC000008741899 556207381 /nfs/dbraw/zinc/20/73/81/556207381.db2.gz ZRCJIXRZXOCBDR-VQAHOFKPSA-N 0 1 429.545 5.468 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000008818093 556218342 /nfs/dbraw/zinc/21/83/42/556218342.db2.gz OFUDCQMFADEAGB-MRXNPFEDSA-N 0 1 431.300 5.233 50 30 IKEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000009008808 556240591 /nfs/dbraw/zinc/24/05/91/556240591.db2.gz WHRHZLHXXNQFAM-FQEVSTJZSA-N 0 1 439.298 5.167 50 30 IKEAMN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000009041914 556241936 /nfs/dbraw/zinc/24/19/36/556241936.db2.gz SDWFGQVANVRFCC-SANMLTNESA-N 0 1 432.564 5.884 50 30 IKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000009043432 556242357 /nfs/dbraw/zinc/24/23/57/556242357.db2.gz SDATYLAYECXQEA-YZSQISJMSA-N 0 1 428.561 6.580 50 30 IKEAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1cccc(O)c1 ZINC000009067904 556244914 /nfs/dbraw/zinc/24/49/14/556244914.db2.gz CCIVEXPTYGLIBW-AREMUKBSSA-N 0 1 432.564 6.116 50 30 biogenic IKEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009087961 556245849 /nfs/dbraw/zinc/24/58/49/556245849.db2.gz QEEOHGYJWWLBED-OAQYLSRUSA-N 0 1 448.862 5.027 50 30 IKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000009271671 556271071 /nfs/dbraw/zinc/27/10/71/556271071.db2.gz UYZHUUDARHVZRK-FQEVSTJZSA-N 0 1 442.353 5.608 50 30 IKEAMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1cc(Cl)cc(Br)c1O ZINC000009323667 556281428 /nfs/dbraw/zinc/28/14/28/556281428.db2.gz MJFSBIZOFSFZLK-CGOBSMCZSA-N 0 1 438.587 5.181 50 30 IKEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1 ZINC000009374792 556286773 /nfs/dbraw/zinc/28/67/73/556286773.db2.gz PYQIFMUZXFIOCF-DEOSSOPVSA-N 0 1 442.515 5.039 50 30 IKEAMN CCCCC1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccccc2C)C1=O ZINC000013750675 556299047 /nfs/dbraw/zinc/29/90/47/556299047.db2.gz RGFJLHSGFCIJKQ-MNWLEOAJSA-N 0 1 439.581 5.037 50 30 IKEAMN CSc1ccc([C@@H]2C3C(=O)CCCC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000009861353 556314983 /nfs/dbraw/zinc/31/49/83/556314983.db2.gz CNXAMYHANVQIQJ-AREMUKBSSA-N 0 1 440.568 6.229 50 30 IKEAMN COc1ccc([C@H]2C3C(=O)C[C@H](C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000010035308 556323026 /nfs/dbraw/zinc/32/30/26/556323026.db2.gz KQYMAEBHQWVZEK-CLYVBNDRSA-N 0 1 438.527 5.762 50 30 IKEAMN COc1ccc([C@H]2C3C(=O)C[C@@H](C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000010035309 556323043 /nfs/dbraw/zinc/32/30/43/556323043.db2.gz KQYMAEBHQWVZEK-MYUZEXMDSA-N 0 1 438.527 5.762 50 30 IKEAMN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4S[C@@H]3c3ccc(Cl)cc3)C2)cc1 ZINC000010035303 556323134 /nfs/dbraw/zinc/32/31/34/556323134.db2.gz XUAGXEOBLFQHEV-HFJWLAOPSA-N 0 1 447.987 7.008 50 30 IKEAMN Brc1ccc(OCc2ccccc2)c(C=NNc2nc3ccccc3s2)c1 ZINC000013940987 556338159 /nfs/dbraw/zinc/33/81/59/556338159.db2.gz BAYRRXGVQGRRQA-YDZHTSKRSA-N 0 1 438.350 6.084 50 30 IKEAMN Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2SCC(C)C)cc1C ZINC000032828898 556413258 /nfs/dbraw/zinc/41/32/58/556413258.db2.gz ABLGNCLFNSDTPG-FQEVSTJZSA-N 0 1 425.579 5.033 50 30 IKEAMN Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2SCc2ccccc2)cc1 ZINC000032828839 556413288 /nfs/dbraw/zinc/41/32/88/556413288.db2.gz JFJZDFCBSSSARC-QFIPXVFZSA-N 0 1 445.569 5.269 50 30 IKEAMN Cc1ccc(NC(=O)COc2cccc(C=NN=c3[nH]c4ccccc4s3)c2)cc1C ZINC000015018611 556487267 /nfs/dbraw/zinc/48/72/67/556487267.db2.gz NHCPPJWOIKBRJX-AFUMVMLFSA-N 0 1 430.533 5.377 50 30 IKEAMN Cc1ccc(NC(=O)COc2cccc(C=[NH+][N-]c3nc4ccccc4s3)c2)cc1C ZINC000015018611 556487271 /nfs/dbraw/zinc/48/72/71/556487271.db2.gz NHCPPJWOIKBRJX-AFUMVMLFSA-N 0 1 430.533 5.377 50 30 IKEAMN S=c1[nH]nc(-c2ccccc2Br)n1N=Cc1ccc(Br)cc1 ZINC000016712454 556630528 /nfs/dbraw/zinc/63/05/28/556630528.db2.gz ANBZIGSYPDFZCU-GIJQJNRQSA-N 0 1 438.148 5.015 50 30 IKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1F ZINC000016731757 556631377 /nfs/dbraw/zinc/63/13/77/556631377.db2.gz TZZSGINJMGTZAB-QHCPKHFHSA-N 0 1 433.479 5.629 50 30 IKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000016735780 556633249 /nfs/dbraw/zinc/63/32/49/556633249.db2.gz FOTAODVASHTWEO-RUZDIDTESA-N 0 1 425.528 5.897 50 30 IKEAMN Cc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(C)c1 ZINC000016739193 556634022 /nfs/dbraw/zinc/63/40/22/556634022.db2.gz LFPHMBOIEXIZCV-PSCYQSDVSA-N 0 1 429.545 5.468 50 30 IKEAMN CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(OCC)cc1 ZINC000017044128 556654066 /nfs/dbraw/zinc/65/40/66/556654066.db2.gz CYZDTEZSZIBLNC-HHHXNRCGSA-N 0 1 446.591 6.419 50 30 IKEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1cccc(OCc2ccccc2)c1)C(C#N)C#N ZINC000100742533 556659953 /nfs/dbraw/zinc/65/99/53/556659953.db2.gz UVAJZDIKUDVWRW-AREMUKBSSA-N 0 1 434.499 5.261 50 30 IKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)C(F)(F)F)[C@H]2c2cccc(F)c2)C1 ZINC000017124858 556668878 /nfs/dbraw/zinc/66/88/78/556668878.db2.gz VQABUBVJJRBHPY-FQEVSTJZSA-N 0 1 432.417 5.531 50 30 IKEAMN CN(C)c1ccc(/N=C2\C(c3ccccc3)=CC(c3ccccc3)=C2c2ccccc2)cc1 ZINC000017241524 556673929 /nfs/dbraw/zinc/67/39/29/556673929.db2.gz DAMNZEXCJWTEKJ-QNEJGDQOSA-N 0 1 426.563 7.533 50 30 IKEAMN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@@H]3c3ccco3)C2)cc1 ZINC000017992519 556681275 /nfs/dbraw/zinc/68/12/75/556681275.db2.gz BFVILGZACDUFHH-CCLHPLFOSA-N 0 1 438.527 5.899 50 30 IKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000018155898 556685273 /nfs/dbraw/zinc/68/52/73/556685273.db2.gz AUGPVCVOLVUIRU-NSYGIPOTSA-N 0 1 432.907 5.854 50 30 IKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 ZINC000018250737 556688488 /nfs/dbraw/zinc/68/84/88/556688488.db2.gz AKKBVQSJPCVNPB-SSOJOUAXSA-N 0 1 432.520 5.808 50 30 IKEAMN CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000018286679 556689319 /nfs/dbraw/zinc/68/93/19/556689319.db2.gz VFTKHMOCXQDQJR-AREMUKBSSA-N 0 1 444.619 6.783 50 30 IKEAMN Brc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)s1 ZINC000019808644 556918330 /nfs/dbraw/zinc/91/83/30/556918330.db2.gz OWJQEZCCOFTTTF-BUVRLJJBSA-N 0 1 438.394 5.232 50 30 IKEAMN CCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000098046261 557046654 /nfs/dbraw/zinc/04/66/54/557046654.db2.gz KNFWDEOYRQGUQA-JOCHJYFZSA-N 0 1 425.956 6.279 50 30 IKEAMN CCCCCCC[C@@](O)(c1ccc(OC)cc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000098048926 557047362 /nfs/dbraw/zinc/04/73/62/557047362.db2.gz BONCPNABCFPOTE-KAYWLYCHSA-N 0 1 425.613 5.359 50 30 IKEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3cc4ccccc4oc3=O)cc2)c1O ZINC000003139344 557114464 /nfs/dbraw/zinc/11/44/64/557114464.db2.gz JHMBKYHLNBJGFG-AFUMVMLFSA-N 0 1 430.416 5.223 50 30 IKEAMN O=C1/C(=C\c2cc(Cl)cc(Cl)c2O)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000033348088 557123000 /nfs/dbraw/zinc/12/30/00/557123000.db2.gz RNTWUJDCCSQWMC-XWEQAZCRSA-N 0 1 441.339 6.508 50 30 IKEAMN Cc1ccc(Cl)cc1N=C1CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O ZINC000017823489 557124597 /nfs/dbraw/zinc/12/45/97/557124597.db2.gz BGOWMRGDUSUEFJ-HKOYGPOVSA-N 0 1 442.949 5.080 50 30 IKEAMN C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc21 ZINC000000732509 557165765 /nfs/dbraw/zinc/16/57/65/557165765.db2.gz VMOSPCSOWBEFCJ-XCUDUSTGSA-N 0 1 428.532 5.038 50 30 biogenic IKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1F ZINC000026458887 557241579 /nfs/dbraw/zinc/24/15/79/557241579.db2.gz ZVGPQTYFCIDOCY-HSZRJFAPSA-N 0 1 449.478 5.329 50 30 IKEAMN O=c1[nH][nH]c2c1[C@H](c1cc(Cl)cc(Cl)c1O)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018196359 557248359 /nfs/dbraw/zinc/24/83/59/557248359.db2.gz SBOCGPAZOOCTHW-ANRSDYALSA-N 0 1 448.331 5.147 50 30 IKEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccccc2F)cc1 ZINC000100345966 557258017 /nfs/dbraw/zinc/25/80/17/557258017.db2.gz JUPPCYMDCKUKNV-JOPVOSQUSA-N 0 1 429.447 5.017 50 30 IKEAMN CCOc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000100717219 557271160 /nfs/dbraw/zinc/27/11/60/557271160.db2.gz IXJOWDDYUDDZQR-SIHNDCSESA-N 0 1 445.544 5.250 50 30 IKEAMN Cc1ccc(Cl)cc1N=C1CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O ZINC000100822326 557276996 /nfs/dbraw/zinc/27/69/96/557276996.db2.gz BGOWMRGDUSUEFJ-MOHJPFBDSA-N 0 1 442.949 5.080 50 30 IKEAMN Cc1cc(C)c(N=C2CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)c(C)c1 ZINC000100822303 557277009 /nfs/dbraw/zinc/27/70/09/557277009.db2.gz XEGZIPBMXLGSNW-PLRJNAJWSA-N 0 1 436.558 5.044 50 30 IKEAMN CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000100959287 557280065 /nfs/dbraw/zinc/28/00/65/557280065.db2.gz FJNMRFSIFOTQDI-SIHNDCSESA-N 0 1 443.528 5.054 50 30 IKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1O ZINC000102417291 557301769 /nfs/dbraw/zinc/30/17/69/557301769.db2.gz USXUFXFHCDCRAD-ZMOGYAJESA-N 0 1 431.404 5.058 50 30 IKEAMN CC1(C)C(=S)N(c2ccccc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@@H]1N1CCCCC1 ZINC000102221868 557315561 /nfs/dbraw/zinc/31/55/61/557315561.db2.gz BFXNDGFLRBLEOC-SXHXIUBKSA-N 0 1 435.681 6.082 50 30 IKEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102368758 557318299 /nfs/dbraw/zinc/31/82/99/557318299.db2.gz LPVSOYZFSIQTAP-MOBKVPTQSA-N 0 1 448.906 5.149 50 30 IKEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102401973 557320915 /nfs/dbraw/zinc/32/09/15/557320915.db2.gz KSLNEJOAAJBDPU-ULWNEYHBSA-N 0 1 425.528 5.474 50 30 IKEAMN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000102503277 557339280 /nfs/dbraw/zinc/33/92/80/557339280.db2.gz GXLJAAWPPLNJED-QOJBNDRUSA-N 0 1 448.475 5.272 50 30 IKEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000102619025 557359620 /nfs/dbraw/zinc/35/96/20/557359620.db2.gz ZEPFUZRFCKHNMF-MRJHHRETSA-N 0 1 437.854 5.114 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000102625856 557360241 /nfs/dbraw/zinc/36/02/41/557360241.db2.gz CDPGZSMPWXGRIE-YDJIHCHBSA-N 0 1 442.273 5.759 50 30 IKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccs3)sc2c1 ZINC000102803345 557385465 /nfs/dbraw/zinc/38/54/65/557385465.db2.gz SMGNDBIWXRKMJC-SELCWUDQSA-N 0 1 436.514 5.140 50 30 IKEAMN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1 ZINC000102803351 557385581 /nfs/dbraw/zinc/38/55/81/557385581.db2.gz MVZFIDBCXKXFHX-GHNGSUTGSA-N 0 1 436.876 5.169 50 30 IKEAMN O=C(c1cccs1)C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1 ZINC000102800361 557390398 /nfs/dbraw/zinc/39/03/98/557390398.db2.gz XZXPLAAQCYRUHG-SELCWUDQSA-N 0 1 436.489 5.123 50 30 IKEAMN O=C(c1cccs1)C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1 ZINC000102800363 557390419 /nfs/dbraw/zinc/39/04/19/557390419.db2.gz XZXPLAAQCYRUHG-GHNGSUTGSA-N 0 1 436.489 5.123 50 30 IKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)sc1C 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/nfs/dbraw/zinc/49/62/48/569496248.db2.gz YURCHJWWJHELMJ-FQEVSTJZSA-N 0 1 448.475 5.428 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000009018955 569496842 /nfs/dbraw/zinc/49/68/42/569496842.db2.gz FMELKJBETFZWAA-FQEVSTJZSA-N 0 1 425.818 5.401 50 30 IKEAMN COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009152921 569507916 /nfs/dbraw/zinc/50/79/16/569507916.db2.gz IWUJMPKWRQTWMZ-OAQYLSRUSA-N 0 1 429.520 5.295 50 30 IKEAMN COc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000009152913 569507939 /nfs/dbraw/zinc/50/79/39/569507939.db2.gz WJTMMYBVMOFQPO-OAQYLSRUSA-N 0 1 429.520 5.295 50 30 IKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccccc3)sc2c1 ZINC000009184904 569510001 /nfs/dbraw/zinc/51/00/01/569510001.db2.gz KWIUMPRZTZTLAA-FQEVSTJZSA-N 0 1 446.484 5.071 50 30 IKEAMN O=C(C1CC1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000009272081 569517850 /nfs/dbraw/zinc/51/78/50/569517850.db2.gz ZHQYSJCZMJRFFK-SIBVEZHUSA-N 0 1 440.568 6.059 50 30 IKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)sc1C ZINC000009280212 569518550 /nfs/dbraw/zinc/51/85/50/569518550.db2.gz MGNDMWQWNBDPQE-SFHVURJKSA-N 0 1 442.899 5.335 50 30 IKEAMN Fc1cccc(COc2ccc(C=Nn3c(=S)[nH]nc3-c3ccccc3)cc2Cl)c1 ZINC000009296299 569520455 /nfs/dbraw/zinc/52/04/55/569520455.db2.gz ARDNWIDXOGVJHG-DHRITJCHSA-N 0 1 438.915 5.861 50 30 IKEAMN CC(C)Oc1ccc(-c2nc3ccccc3c(NN=Cc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000009356833 569525564 /nfs/dbraw/zinc/52/55/64/569525564.db2.gz MAFQAJZHUSHLMX-MFKUBSTISA-N 0 1 427.464 5.438 50 30 IKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3F)sc2c1 ZINC000009359939 569525782 /nfs/dbraw/zinc/52/57/82/569525782.db2.gz IXRMAEKRFREINH-HXUWFJFHSA-N 0 1 448.475 5.374 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000009370684 569526782 /nfs/dbraw/zinc/52/67/82/569526782.db2.gz XIZYHBSYRMMUKS-MRXNPFEDSA-N 0 1 431.300 5.233 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000009374697 569527069 /nfs/dbraw/zinc/52/70/69/569527069.db2.gz MYLZHQLBGNDDDQ-FQEVSTJZSA-N 0 1 441.380 5.627 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000009373997 569527102 /nfs/dbraw/zinc/52/71/02/569527102.db2.gz UXTPZGVLHFSGCQ-HXUWFJFHSA-N 0 1 442.273 5.915 50 30 IKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009374700 569527169 /nfs/dbraw/zinc/52/71/69/569527169.db2.gz UEUMNXDYKVRGFQ-QHCPKHFHSA-N 0 1 431.919 5.469 50 30 IKEAMN CCCC1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000009379648 569527705 /nfs/dbraw/zinc/52/77/05/569527705.db2.gz NRXWTULIFTWMEG-LPKHAAKTSA-N 0 1 431.561 5.483 50 30 IKEAMN COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)cc1COc1ccccc1F ZINC000009427896 569533398 /nfs/dbraw/zinc/53/33/98/569533398.db2.gz IHLSDFZTIWZIRW-GXDHUFHOSA-N 0 1 428.459 6.168 50 30 IKEAMN COc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)c(OC)c1OC ZINC000009433999 569534709 /nfs/dbraw/zinc/53/47/09/569534709.db2.gz SMDOXOQBDZXXEU-VWLOTQADSA-N 0 1 431.513 5.579 50 30 IKEAMN COc1cccc(OCCCOc2cccc(C=NNc3nc4ccccc4s3)c2)c1 ZINC000009434883 569534759 /nfs/dbraw/zinc/53/47/59/569534759.db2.gz KSIONBJPBMFFLC-KOEQRZSOSA-N 0 1 433.533 5.599 50 30 IKEAMN COc1cccc(OCCCOc2cccc(C=[NH+][N-]c3nc4ccccc4s3)c2)c1 ZINC000009434883 569534760 /nfs/dbraw/zinc/53/47/60/569534760.db2.gz KSIONBJPBMFFLC-KOEQRZSOSA-N 0 1 433.533 5.599 50 30 IKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000009461675 569537059 /nfs/dbraw/zinc/53/70/59/569537059.db2.gz ISLGWEDFAXFHSJ-IBGZPJMESA-N 0 1 443.286 5.381 50 30 IKEAMN CCc1ccc(-c2[nH]nc3c2[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009597322 569550868 /nfs/dbraw/zinc/55/08/68/569550868.db2.gz HQBKRZPRWVGCDG-OAQYLSRUSA-N 0 1 431.967 6.493 50 30 IKEAMN COc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009597381 569550966 /nfs/dbraw/zinc/55/09/66/569550966.db2.gz YVUYQXCLOWMDBF-FQEVSTJZSA-N 0 1 433.939 5.939 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000009763882 569566712 /nfs/dbraw/zinc/56/67/12/569566712.db2.gz JYBMJHLXAWDXDQ-INIZCTEOSA-N 0 1 431.300 5.233 50 30 IKEAMN CCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000009861339 569571970 /nfs/dbraw/zinc/57/19/70/569571970.db2.gz YWXRZJRAAOSIAX-QHCPKHFHSA-N 0 1 429.347 6.300 50 30 IKEAMN Cc1c(C=NNc2nc3ccccc3s2)c2cc(C)ccc2n1Cc1ccccc1Cl ZINC000001848535 569583081 /nfs/dbraw/zinc/58/30/81/569583081.db2.gz ADGWLKZNTRFKKD-MZJWZYIUSA-N 0 1 444.991 7.016 50 30 IKEAMN Cc1c(C=[NH+][N-]c2nc3ccccc3s2)c2cc(C)ccc2n1Cc1ccccc1Cl ZINC000001848535 569583082 /nfs/dbraw/zinc/58/30/82/569583082.db2.gz ADGWLKZNTRFKKD-MZJWZYIUSA-N 0 1 444.991 7.016 50 30 IKEAMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1ccc(Br)cc1 ZINC000017195397 569583170 /nfs/dbraw/zinc/58/31/70/569583170.db2.gz RNKFCDFKWWMQPM-WSDLNYQXSA-N 0 1 425.355 5.912 50 30 IKEAMN Cc1cc(C=[NH+][N-]c2nc3ccccc3s2)c(C)n1-c1ccc(Br)cc1 ZINC000017195397 569583171 /nfs/dbraw/zinc/58/31/71/569583171.db2.gz RNKFCDFKWWMQPM-WSDLNYQXSA-N 0 1 425.355 5.912 50 30 IKEAMN Cc1cccc(OCCCn2cc(C=NNc3nc4ccccc4s3)c3ccccc32)c1 ZINC000002594785 569584473 /nfs/dbraw/zinc/58/44/73/569584473.db2.gz CIMQPJOLYZRDCV-WPWMEQJKSA-N 0 1 440.572 6.475 50 30 IKEAMN Clc1ccccc1OCCn1cc(C=NNc2nc3ccccc3s2)c2ccccc21 ZINC000001840671 569585054 /nfs/dbraw/zinc/58/50/54/569585054.db2.gz BBASBMXLZOUREY-CVKSISIWSA-N 0 1 446.963 6.429 50 30 IKEAMN CCN1CCN(c2c(Cc3ccccc3Cl)c(C)c(C#N)c3nc4ccccc4n32)CC1 ZINC000002450857 132254528 /nfs/dbraw/zinc/25/45/28/132254528.db2.gz MQHVTTXEJRBUCD-UHFFFAOYSA-N 0 1 443.982 5.054 50 30 IKEAMN BrC(/C=N/N1CCN(Cc2cccc3ccccc32)CC1)=C\c1ccccc1 ZINC000012558495 518206127 /nfs/dbraw/zinc/20/61/27/518206127.db2.gz WEVQENAYLUVJHK-QPFIVIFOSA-N 0 1 434.381 5.379 50 30 IKEAMN C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CNCc1ccccc1 ZINC000012660256 518664706 /nfs/dbraw/zinc/66/47/06/518664706.db2.gz ZISVYIIZULIHFK-WKUBQNGMSA-N 0 1 449.635 6.454 50 30 biogenic IKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2cc(OC)cc(OC)c2)C(C)C)o1 ZINC000036203691 518696216 /nfs/dbraw/zinc/69/62/16/518696216.db2.gz CMBLTFAIUDFNCJ-UHFFFAOYSA-N 0 1 427.585 5.827 50 30 IKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(CCC)Cc2cc(OC)cc(OC)c2)o1 ZINC000036167639 518696929 /nfs/dbraw/zinc/69/69/29/518696929.db2.gz BTINDNSPJWGUSF-UHFFFAOYSA-N 0 1 427.585 5.829 50 30 IKEAMN C=CCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036302192 518713913 /nfs/dbraw/zinc/71/39/13/518713913.db2.gz AEGMFGUUVQAPHG-HSZRJFAPSA-N 0 1 449.595 5.521 50 30 IKEAMN C=CCC[C@H](O)CN(CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036316301 518722581 /nfs/dbraw/zinc/72/25/81/518722581.db2.gz PTRJRWVLENROIB-QHCPKHFHSA-N 0 1 433.596 5.766 50 30 IKEAMN C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036304496 518726305 /nfs/dbraw/zinc/72/63/05/518726305.db2.gz RTNKCNRXZROLDB-QHCPKHFHSA-N 0 1 447.579 5.273 50 30 IKEAMN C=CCN(CC(=O)N1N=C(c2cc(C)ccc2C)C[C@@H]1c1cccc(F)c1)C1CCCC1 ZINC000036342758 518755872 /nfs/dbraw/zinc/75/58/72/518755872.db2.gz YKKMEFQUWZXNGN-AREMUKBSSA-N 0 1 433.571 5.551 50 30 IKEAMN C=CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C ZINC000036316270 518988685 /nfs/dbraw/zinc/98/86/85/518988685.db2.gz GXQOPMXYECINIJ-QHCPKHFHSA-N 0 1 449.595 5.001 50 30 IKEAMN C=CCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1 ZINC000036304873 518991482 /nfs/dbraw/zinc/99/14/82/518991482.db2.gz AZPDFYVQEHWWMB-XMMPIXPASA-N 0 1 449.595 5.057 50 30 IKEAMN C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C ZINC000036345868 518994216 /nfs/dbraw/zinc/99/42/16/518994216.db2.gz FVSAQSHNHLOKBT-XMMPIXPASA-N 0 1 449.595 5.055 50 30 IKEAMN C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(C)C ZINC000036304773 518994630 /nfs/dbraw/zinc/99/46/30/518994630.db2.gz APAFCTNXBLZGJM-XMMPIXPASA-N 0 1 449.595 5.055 50 30 IKEAMN CC(C)C(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccco1 ZINC000012381906 519477420 /nfs/dbraw/zinc/47/74/20/519477420.db2.gz QMJDXUNAWVEDGN-AFMDSPMNSA-N 0 1 426.516 5.836 50 30 IKEAMN CCCCCCCCCCCCCCCCCCO[P@](=O)([O-])OCC[N+](C)(C)C ZINC000038139357 519997364 /nfs/dbraw/zinc/99/73/64/519997364.db2.gz ZBNJXSZNWZUYCI-UHFFFAOYSA-O 0 1 436.638 7.088 50 30 IKEAMN CC1(C)CC(=O)C2=C(C1)Nc1cc(-c3ccc(Cl)cc3)nn1[C@H]2c1ccc(Cl)cc1 ZINC000021658643 520259464 /nfs/dbraw/zinc/25/94/64/520259464.db2.gz MLWIDVCSXXXLDW-QHCPKHFHSA-N 0 1 438.358 6.515 50 30 IKEAMN CC1(C)CC(=O)C2=C(C1)Nc1cc(-c3ccccc3)nn1[C@H]2c1ccc(Br)cc1 ZINC000021658676 520259753 /nfs/dbraw/zinc/25/97/53/520259753.db2.gz QOFOVDHFAAHVSP-QHCPKHFHSA-N 0 1 448.364 5.971 50 30 IKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NCc3ccco3)[C@H]2c2ccccc2)C1 ZINC000021722097 520261593 /nfs/dbraw/zinc/26/15/93/520261593.db2.gz NKIMWHYTPHUKNG-VWLOTQADSA-N 0 1 441.531 5.806 50 30 IKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NC3CCCC3)[C@H]2c2ccccc2)C1 ZINC000021722089 520263034 /nfs/dbraw/zinc/26/30/34/520263034.db2.gz AAXDOSGNAXKKMX-VWLOTQADSA-N 0 1 429.564 5.955 50 30 IKEAMN CCCC1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O ZINC000051366909 520896819 /nfs/dbraw/zinc/89/68/19/520896819.db2.gz NVHYTASQZUFVJY-MQBMHJJESA-N 0 1 444.398 5.392 50 30 IKEAMN CCCCOc1ccccc1/C=N/N=C1\NC(=O)C(Cc2ccc(CCCC)cc2)S1 ZINC000012194659 520911364 /nfs/dbraw/zinc/91/13/64/520911364.db2.gz GVCOBXZNLSJPRX-ZCBHOAFYSA-N 0 1 437.609 5.372 50 30 IKEAMN CCOC(=O)c1ccc(NC2CCCCC2)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1 ZINC000012369417 521519886 /nfs/dbraw/zinc/51/98/86/521519886.db2.gz CCCYAYGIFRBNRO-DHRITJCHSA-N 0 1 435.351 6.371 50 30 IKEAMN CCOCCCNC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccccc1 ZINC000021722871 521711738 /nfs/dbraw/zinc/71/17/38/521711738.db2.gz SLRMXMXCJNOQNQ-RUZDIDTESA-N 0 1 447.579 5.439 50 30 IKEAMN CCc1ccccc1NC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1cccs1 ZINC000021356081 521891965 /nfs/dbraw/zinc/89/19/65/521891965.db2.gz UGITXKOPXMTIIX-VWLOTQADSA-N 0 1 443.572 6.523 50 30 IKEAMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000006906991 521996597 /nfs/dbraw/zinc/99/65/97/521996597.db2.gz KJBPOBZAAJYKJJ-YDZHTSKRSA-N 0 1 434.477 5.238 50 30 IKEAMN COc1cc(C=Nn2c(=S)[nH]nc2-c2ccc(C)cc2)ccc1OCc1ccccc1 ZINC000002357888 522001650 /nfs/dbraw/zinc/00/16/50/522001650.db2.gz KPZGAVGMRRUEKF-MFKUBSTISA-N 0 1 430.533 5.386 50 30 IKEAMN CN(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000009089786 522125445 /nfs/dbraw/zinc/12/54/45/522125445.db2.gz DXLZMYFMUFHSPF-PCLIKHOPSA-N 0 1 429.549 5.135 50 30 IKEAMN CN(C)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000004199816 522245147 /nfs/dbraw/zinc/24/51/47/522245147.db2.gz LJFKTOGWRXCVAM-RUZDIDTESA-N 0 1 429.564 5.306 50 30 IKEAMN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@H]3c3cccnc3)C2=O)cc1 ZINC000020762850 523422446 /nfs/dbraw/zinc/42/24/46/523422446.db2.gz NSPKOYAWBNWQTQ-GEGYVFIFSA-N 0 1 442.515 5.139 50 30 biogenic IKEAMN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCCC[C@H]3c3cccnc3)C2=O)cc1 ZINC000020762850 523422458 /nfs/dbraw/zinc/42/24/58/523422458.db2.gz NSPKOYAWBNWQTQ-GEGYVFIFSA-N 0 1 442.515 5.139 50 30 biogenic IKEAMN COc1ccc(Cl)cc1/C(O)=N/c1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000020853732 524193695 /nfs/dbraw/zinc/19/36/95/524193695.db2.gz BBYQGLKUEMCMLW-UHFFFAOYSA-N 0 1 426.900 5.836 50 30 IKEAMN Cc1cc(C)cc(NC(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@@H]2c2cccs2)c1 ZINC000021722334 524427801 /nfs/dbraw/zinc/42/78/01/524427801.db2.gz TVHYJLMBXAXXSD-VWLOTQADSA-N 0 1 443.572 6.577 50 30 IKEAMN C[C@@H]1CCc2[nH]c3ccc(C(=O)C(C#N)c4nc(-c5ccc(Cl)cc5)cs4)cc3c2C1 ZINC000013133648 524718961 /nfs/dbraw/zinc/71/89/61/524718961.db2.gz XNCFSDXCKWWEHX-JLTOFOAXSA-N 0 1 445.975 6.560 50 30 IKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000013552106 525048380 /nfs/dbraw/zinc/04/83/80/525048380.db2.gz FFBZHSIFRFVTDC-FQEVSTJZSA-N 0 1 434.835 5.166 50 30 IKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000013552108 525048518 /nfs/dbraw/zinc/04/85/18/525048518.db2.gz FFBZHSIFRFVTDC-HXUWFJFHSA-N 0 1 434.835 5.166 50 30 IKEAMN Cc1ccc(NC(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@H]2c2cccs2)cc1C ZINC000021722340 525151144 /nfs/dbraw/zinc/15/11/44/525151144.db2.gz CPCSBTWPGGDKEM-RUZDIDTESA-N 0 1 443.572 6.577 50 30 IKEAMN Cc1ccccc1NC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1cccs1 ZINC000021722374 525250807 /nfs/dbraw/zinc/25/08/07/525250807.db2.gz OXCAGMKLVXIXBK-DEOSSOPVSA-N 0 1 429.545 6.269 50 30 IKEAMN Cc1ccccc1NC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1cccs1 ZINC000021722376 525252063 /nfs/dbraw/zinc/25/20/63/525252063.db2.gz OXCAGMKLVXIXBK-XMMPIXPASA-N 0 1 429.545 6.269 50 30 IKEAMN Cc1[nH]c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nc1Cc1ccccc1 ZINC000012550615 525413963 /nfs/dbraw/zinc/41/39/63/525413963.db2.gz FHIFBRDJJJMDPX-CQSZACIVSA-N 0 1 436.606 5.098 50 30 IKEAMN Cc1c(C)n(C2CCCCC2)c(NC(=O)CSc2nc(-c3cccs3)n[nH]2)c1C#N ZINC000012778814 525680517 /nfs/dbraw/zinc/68/05/17/525680517.db2.gz DCGQKVRGKBRRRN-UHFFFAOYSA-N 0 1 440.598 5.059 50 30 IKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Cl)c2)cc1F ZINC000009472404 526028342 /nfs/dbraw/zinc/02/83/42/526028342.db2.gz PLILWHSEBIIFHH-FQEVSTJZSA-N 0 1 425.843 5.159 50 30 IKEAMN Cc1ccc2cc(C=NNc3ncnc4scc(-c5ccccc5)c43)c(Cl)nc2c1 ZINC000009345079 526224219 /nfs/dbraw/zinc/22/42/19/526224219.db2.gz LFHDFAJBDCQQEU-LUOAPIJWSA-N 0 1 429.936 6.314 50 30 IKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccccc1N1CCCCC1 ZINC000002247309 526321946 /nfs/dbraw/zinc/32/19/46/526321946.db2.gz IDBYMUZMQMDUCU-CIAFOILYSA-N 0 1 438.163 5.658 50 30 IKEAMN N#Cc1nc(COc2ccc(Cl)cc2)oc1NC[C@H](c1cccs1)N1CCCCC1 ZINC000035671633 526785560 /nfs/dbraw/zinc/78/55/60/526785560.db2.gz CKKDBZCUEXCCPG-LJQANCHMSA-N 0 1 442.972 5.479 50 30 IKEAMN O=C(c1cc2ccccc2o1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Cl)c1 ZINC000102752277 526955767 /nfs/dbraw/zinc/95/57/67/526955767.db2.gz OQOWORRFRKYSAD-HOGKFDNTSA-N 0 1 444.874 5.103 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(OC(C)C)cc1 ZINC000000668288 555529630 /nfs/dbraw/zinc/52/96/30/555529630.db2.gz SSFNBGIQQXYZPA-AREMUKBSSA-N 0 1 432.564 6.027 50 30 IKEAMN O=S(=O)(c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1)N1CCc2ccccc21 ZINC000000672142 555531867 /nfs/dbraw/zinc/53/18/67/555531867.db2.gz WKILLFFPZWWTBN-ZMOGYAJESA-N 0 1 447.343 5.201 50 30 IKEAMN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000674134 555532833 /nfs/dbraw/zinc/53/28/33/555532833.db2.gz MDSSCXDGYAOCPG-GKVSMKOHSA-N 0 1 443.459 5.108 50 30 IKEAMN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000000682682 555538210 /nfs/dbraw/zinc/53/82/10/555538210.db2.gz ICDDYVJYXMNNCS-NRFANRHFSA-N 0 1 444.453 5.401 50 30 IKEAMN O=C(C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1cccc(Cl)c1 ZINC000001015773 555602559 /nfs/dbraw/zinc/60/25/59/555602559.db2.gz ZSWLOYHPSHLOFC-HZYJKNPPSA-N 0 1 435.936 5.505 50 30 IKEAMN CC(=O)c1ccc(Cl)c(N=Cc2cc(Br)cc(Br)c2O)c1 ZINC000001046744 555611217 /nfs/dbraw/zinc/61/12/17/555611217.db2.gz RJPKSLSMUNOOIQ-FBCYGCLPSA-N 0 1 431.511 5.524 50 30 IKEAMN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1O ZINC000001048216 555611804 /nfs/dbraw/zinc/61/18/04/555611804.db2.gz UVEOMKIPWQWVJG-UHFFFAOYSA-N 0 1 435.347 6.099 50 30 IKEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000001120535 555637267 /nfs/dbraw/zinc/63/72/67/555637267.db2.gz COVPLLUFWZDQIK-JTHBVZDNSA-N 0 1 433.548 5.050 50 30 IKEAMN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1Cl ZINC000001199307 555677897 /nfs/dbraw/zinc/67/78/97/555677897.db2.gz MMIJTDNGKZNQHE-WINIVTDRSA-N 0 1 442.946 6.261 50 30 IKEAMN CCOc1ccccc1NC(=O)C[C@@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O ZINC000001213742 555683038 /nfs/dbraw/zinc/68/30/38/555683038.db2.gz LIPNXQLBCIZNOH-OZSVZHKOSA-N 0 1 445.544 5.250 50 30 IKEAMN Cc1cc2nc(-c3ccc(C)c(/N=C/c4cc(Cl)cc(Cl)c4O)c3)oc2c(C)c1 ZINC000001884430 555722263 /nfs/dbraw/zinc/72/22/63/555722263.db2.gz YPPRBAZKCCDRNP-KBKYJPHKSA-N 0 1 425.315 7.183 50 30 IKEAMN O=C(NC(Nc1ccccc1C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000002311338 555767690 /nfs/dbraw/zinc/76/76/90/555767690.db2.gz QVQVRGQAZKPHMQ-UHFFFAOYSA-N 0 1 430.270 5.368 50 30 IKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2c3ccccc3cc3ccccc32)cc1 ZINC000002590478 555789256 /nfs/dbraw/zinc/78/92/56/555789256.db2.gz BIQMPKOUVFGZMK-OGLMXYFKSA-N 0 1 436.584 7.094 50 30 IKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2cc(Br)ccc2F)cc1 ZINC000002706393 555800765 /nfs/dbraw/zinc/80/07/65/555800765.db2.gz OTKTUPFXIZPPHC-SSDVNMTOSA-N 0 1 433.350 5.689 50 30 IKEAMN COc1ccc(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)cc1Br ZINC000003099174 555886639 /nfs/dbraw/zinc/88/66/39/555886639.db2.gz DBARJHAKCVNJDG-WYMPLXKRSA-N 0 1 437.293 6.031 50 30 IKEAMN Cc1ccc2oc(-c3ccc(/N=C/c4ccc(-c5ccc(Cl)cc5)o4)cc3O)nc2c1 ZINC000003657365 555944461 /nfs/dbraw/zinc/94/44/61/555944461.db2.gz VBLWHEDDRZEVTC-MZJWZYIUSA-N 0 1 428.875 7.173 50 30 IKEAMN Cc1cccc2oc(-c3cccc(/N=C/c4cc(Br)cc(Cl)c4O)c3)nc21 ZINC000003656936 555944517 /nfs/dbraw/zinc/94/45/17/555944517.db2.gz KTEPMFGMBKMTSY-BHGWPJFGSA-N 0 1 441.712 6.675 50 30 IKEAMN CN(C)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000004199815 555976058 /nfs/dbraw/zinc/97/60/58/555976058.db2.gz LJFKTOGWRXCVAM-VWLOTQADSA-N 0 1 429.564 5.306 50 30 IKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccc2c(c1)oc1ccccc12 ZINC000002771246 556140177 /nfs/dbraw/zinc/14/01/77/556140177.db2.gz XGKWEWUSJCSWDJ-LSHDLFTRSA-N 0 1 445.110 6.567 50 30 IKEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2cccc(NC(=O)c3ccccc3Cl)c2)c1O ZINC000008386652 556162164 /nfs/dbraw/zinc/16/21/64/556162164.db2.gz ZPBDKTMLFSLHGD-ZMOGYAJESA-N 0 1 439.855 5.355 50 30 IKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1OCC(F)(F)F ZINC000008426830 556169328 /nfs/dbraw/zinc/16/93/28/556169328.db2.gz VMRBXAQNCGPVSW-KXEZBXAJSA-N 0 1 432.147 6.410 50 30 IKEAMN CCN(CC)c1nc(=NN=Cc2ccc(Cl)cc2Cl)nc(NCc2ccccc2)[nH]1 ZINC000008427187 556169393 /nfs/dbraw/zinc/16/93/93/556169393.db2.gz CKSWAVBXTMPXFF-AFUMVMLFSA-N 0 1 444.370 5.083 50 30 IKEAMN CCCCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CC)cc1 ZINC000008432105 556171399 /nfs/dbraw/zinc/17/13/99/556171399.db2.gz AJHDJVAAGJGEJD-HHHXNRCGSA-N 0 1 446.591 6.419 50 30 IKEAMN CCCCCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000008432070 556171568 /nfs/dbraw/zinc/17/15/68/556171568.db2.gz BZFSOUBHLWUHFZ-HHHXNRCGSA-N 0 1 446.591 6.419 50 30 IKEAMN Oc1c(Cl)cc(Cl)cc1CN=Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000008434868 556173086 /nfs/dbraw/zinc/17/30/86/556173086.db2.gz LOSZFWOHDLPJAT-DHRITJCHSA-N 0 1 436.302 5.664 50 30 IKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000008439967 556176213 /nfs/dbraw/zinc/17/62/13/556176213.db2.gz QOVPCICKTARHON-DEOSSOPVSA-N 0 1 427.500 5.254 50 30 IKEAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccccc1OC ZINC000008443862 556178592 /nfs/dbraw/zinc/17/85/92/556178592.db2.gz CXNLWRAUFBFSFO-HHHXNRCGSA-N 0 1 446.591 6.419 50 30 IKEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Br)cc1 ZINC000008715661 556202092 /nfs/dbraw/zinc/20/20/92/556202092.db2.gz FACFRSNELMLMHL-HXUWFJFHSA-N 0 1 440.337 5.360 50 30 IKEAMN O=C(c1cccs1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000008742400 556207455 /nfs/dbraw/zinc/20/74/55/556207455.db2.gz QWEUJZVWVIGFFA-SFHVURJKSA-N 0 1 445.327 5.228 50 30 IKEAMN CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(N(C)C)cc1 ZINC000008818437 556218319 /nfs/dbraw/zinc/21/83/19/556218319.db2.gz KBIPPHDYJJXYAY-HHHXNRCGSA-N 0 1 445.607 5.942 50 30 IKEAMN COc1cccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)c1 ZINC000008913997 556232076 /nfs/dbraw/zinc/23/20/76/556232076.db2.gz FVWWBSVRCAEWET-KMRXNPHXSA-N 0 1 438.527 5.616 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000009065412 556244460 /nfs/dbraw/zinc/24/44/60/556244460.db2.gz WYCYFJNWELPIOU-IBGZPJMESA-N 0 1 425.271 5.171 50 30 IKEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009087962 556245839 /nfs/dbraw/zinc/24/58/39/556245839.db2.gz QEEOHGYJWWLBED-NRFANRHFSA-N 0 1 448.862 5.027 50 30 IKEAMN COc1ccc2ccccc2c1C=Nn1c(=S)[nH]nc1-c1ccccc1Br ZINC000009088339 556245880 /nfs/dbraw/zinc/24/58/80/556245880.db2.gz RAQNKTRVSRNPRB-WSDLNYQXSA-N 0 1 439.338 5.414 50 30 IKEAMN S=c1[nH]nc(-c2ccccc2Br)n1N=Cc1ccc(Cl)c(Cl)c1 ZINC000009108787 556247032 /nfs/dbraw/zinc/24/70/32/556247032.db2.gz YKCJJFBVHVCRLP-UFWORHAWSA-N 0 1 428.142 5.559 50 30 IKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)sc1C ZINC000009184905 556250588 /nfs/dbraw/zinc/25/05/88/556250588.db2.gz HFIPUAZTFXUPLH-GOSISDBHSA-N 0 1 442.899 5.335 50 30 IKEAMN COc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccccc2)cc1 ZINC000009264178 556270212 /nfs/dbraw/zinc/27/02/12/556270212.db2.gz JPLOWEVPXSUXRA-SANMLTNESA-N 0 1 439.515 5.908 50 30 IKEAMN COc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2ccccc2N1C(=O)C1CCCCC1 ZINC000009264184 556270359 /nfs/dbraw/zinc/27/03/59/556270359.db2.gz GDZACYRSGQJUCA-AREMUKBSSA-N 0 1 430.548 5.782 50 30 IKEAMN COc1ccccc1[C@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1C(C)=O ZINC000009264314 556270417 /nfs/dbraw/zinc/27/04/17/556270417.db2.gz GHIOUXPTYCHIBO-QLXKLKPCSA-N 0 1 428.488 5.209 50 30 IKEAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1cccc(OC)c1 ZINC000009300557 556275862 /nfs/dbraw/zinc/27/58/62/556275862.db2.gz SWEXRNUITMYTMM-MHZLTWQESA-N 0 1 446.591 6.419 50 30 IKEAMN Cc1c(/N=C/c2cc(Br)cc(Cl)c2O)cccc1-c1nc2ncccc2o1 ZINC000009678927 556305828 /nfs/dbraw/zinc/30/58/28/556305828.db2.gz TYAGBEZJFVMDON-YSURURNPSA-N 0 1 442.700 6.070 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1ccco1 ZINC000009934355 556318168 /nfs/dbraw/zinc/31/81/68/556318168.db2.gz RNCCSISZHQBOIK-XRHLQHRESA-N 0 1 442.515 5.599 50 30 IKEAMN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4S[C@H]3c3ccc(Cl)cc3)C2)cc1 ZINC000010035299 556323054 /nfs/dbraw/zinc/32/30/54/556323054.db2.gz XUAGXEOBLFQHEV-DWXRJYCRSA-N 0 1 447.987 7.008 50 30 IKEAMN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4S[C@H]3c3ccc(Cl)cc3)C2)cc1 ZINC000010035301 556323063 /nfs/dbraw/zinc/32/30/63/556323063.db2.gz XUAGXEOBLFQHEV-QYBDOPJKSA-N 0 1 447.987 7.008 50 30 IKEAMN O=[N+]([O-])c1ccc(OCCCOc2ccccc2)c(C=NNc2nc3ccccc3s2)c1 ZINC000013898932 556330894 /nfs/dbraw/zinc/33/08/94/556330894.db2.gz CIMPAWGZUMXNIW-LFVJCYFKSA-N 0 1 448.504 5.498 50 30 IKEAMN Clc1ccc(COc2ccc3ccccc3c2C=NNc2nc3ccccc3s2)cc1 ZINC000013940436 556337877 /nfs/dbraw/zinc/33/78/77/556337877.db2.gz GBFDQSOTDLFJPL-JFLMPSFJSA-N 0 1 443.959 7.128 50 30 IKEAMN Cc1ccc(Sc2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000032828857 556413247 /nfs/dbraw/zinc/41/32/47/556413247.db2.gz HYCGMZNNNSECJW-NRFANRHFSA-N 0 1 449.532 5.267 50 30 IKEAMN O=C(C[C@@H]1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2 ZINC000015054363 556490170 /nfs/dbraw/zinc/49/01/70/556490170.db2.gz BJKOPLOZQDQIOT-DEVZUPFRSA-N 0 1 440.568 5.975 50 30 IKEAMN Cc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(C)c1 ZINC000016739194 556634034 /nfs/dbraw/zinc/63/40/34/556634034.db2.gz LFPHMBOIEXIZCV-FPEJUQHSSA-N 0 1 429.545 5.468 50 30 IKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C(C)C)cc2)cc1F ZINC000016741221 556634912 /nfs/dbraw/zinc/63/49/12/556634912.db2.gz GKWWIEPEERDZRD-DEOSSOPVSA-N 0 1 444.506 5.431 50 30 IKEAMN CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000017163334 556670780 /nfs/dbraw/zinc/67/07/80/556670780.db2.gz WIELBMCPGVDHMH-RUZDIDTESA-N 0 1 436.983 6.529 50 30 IKEAMN O=C(CC/C(C/C(=N\O)c1ccc(F)cc1)=N\O)N(Cc1ccccc1)Cc1ccccc1 ZINC000017195498 556672664 /nfs/dbraw/zinc/67/26/64/556672664.db2.gz NWEHDIQJVKGIOJ-NLLYGJECSA-N 0 1 447.510 5.234 50 30 IKEAMN Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1 ZINC000011999931 556679890 /nfs/dbraw/zinc/67/98/90/556679890.db2.gz CGHBHSAZGGPRKE-UHFFFAOYSA-N 0 1 445.331 5.067 50 30 IKEAMN Cc1nc(N=C(N)NC(=O)N2c3ccccc3Sc3ccccc32)nc2ccccc12 ZINC000018106315 556684227 /nfs/dbraw/zinc/68/42/27/556684227.db2.gz ROXRIQSMIMDHJW-UHFFFAOYSA-N 0 1 426.505 5.088 50 30 IKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(F)c1 ZINC000018137674 556684712 /nfs/dbraw/zinc/68/47/12/556684712.db2.gz FCTUPJZLWWGATE-NFQMXDRXSA-N 0 1 426.491 5.746 50 30 IKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 ZINC000018250734 556688423 /nfs/dbraw/zinc/68/84/23/556688423.db2.gz AKKBVQSJPCVNPB-CRICUBBOSA-N 0 1 432.520 5.808 50 30 IKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 ZINC000018250732 556688463 /nfs/dbraw/zinc/68/84/63/556688463.db2.gz AKKBVQSJPCVNPB-NSYGIPOTSA-N 0 1 432.520 5.808 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000018324215 556689606 /nfs/dbraw/zinc/68/96/06/556689606.db2.gz MMJIPLSDWUQPEK-MHZLTWQESA-N 0 1 445.607 6.086 50 30 IKEAMN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1cc(Cl)cc(Br)c1O ZINC000033909248 556723435 /nfs/dbraw/zinc/72/34/35/556723435.db2.gz ANCLOAMUTAUGAT-AWNIVKPZSA-N 0 1 444.137 5.353 50 30 IKEAMN CCCC1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O ZINC000034379249 556825504 /nfs/dbraw/zinc/82/55/04/556825504.db2.gz NVHYTASQZUFVJY-YGAJUMRDSA-N 0 1 444.398 5.392 50 30 IKEAMN CCN(CC)c1ccc(C=Nc2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)cc1 ZINC000006016383 556829194 /nfs/dbraw/zinc/82/91/94/556829194.db2.gz KEQKMPLSTQWNAD-JFLMPSFJSA-N 0 1 437.374 7.134 50 30 IKEAMN CCC(C)(C)[C@@H]1CCc2sc3[nH]cnc(=NN=Cc4c(Cl)cccc4Cl)c3c2C1 ZINC000033097079 556858282 /nfs/dbraw/zinc/85/82/82/556858282.db2.gz ZMUWKRLESJFUPP-ZMDPPLQJSA-N 0 1 447.435 6.985 50 30 IKEAMN C(=N/N1CCN(Cc2cccc3ccccc32)CC1)\c1c2ccccc2cc2ccccc21 ZINC000019773240 556913516 /nfs/dbraw/zinc/91/35/16/556913516.db2.gz DILMKSVHAOTWTL-NJZRLIGZSA-N 0 1 429.567 6.298 50 30 IKEAMN COc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O ZINC000019848357 556930127 /nfs/dbraw/zinc/93/01/27/556930127.db2.gz BDXYIDKTYMVVNB-JOCHJYFZSA-N 0 1 437.496 5.148 50 30 IKEAMN FC(F)(F)c1ccccc1C=Nn1c(=S)[nH]nc1-c1ccccc1Br ZINC000019861037 556933689 /nfs/dbraw/zinc/93/36/89/556933689.db2.gz XMMPXRIMBQRBKY-ZVBGSRNCSA-N 0 1 427.249 5.271 50 30 IKEAMN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(C(=O)OCC)cc1 ZINC000097969686 556989270 /nfs/dbraw/zinc/98/92/70/556989270.db2.gz FWMNUXWEMLYVRS-JAMLUQCHSA-N 0 1 448.548 5.385 50 30 IKEAMN CCCCCCCCOc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccccc1 ZINC000097984114 556999157 /nfs/dbraw/zinc/99/91/57/556999157.db2.gz OKFNIQJJKNNDNR-QFIPXVFZSA-N 0 1 437.565 5.408 50 30 IKEAMN CCCCCCC[C@](O)(c1ccc(OC)cc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000098048927 557047334 /nfs/dbraw/zinc/04/73/34/557047334.db2.gz BONCPNABCFPOTE-SXOMAYOGSA-N 0 1 425.613 5.359 50 30 IKEAMN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000000709279 557140647 /nfs/dbraw/zinc/14/06/47/557140647.db2.gz GERFIDXGUNWYFX-QFIPXVFZSA-N 0 1 435.882 5.300 50 30 IKEAMN CCCCCCCCCCCCCCCC(=O)Nc1cc2c(C)cc(=O)oc2cc1O ZINC000100023727 557189224 /nfs/dbraw/zinc/18/92/24/557189224.db2.gz FRYZAPGXJAWDCH-UHFFFAOYSA-N 0 1 429.601 7.227 50 30 IKEAMN O=C(C[C@@H]1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2 ZINC000100035591 557238339 /nfs/dbraw/zinc/23/83/39/557238339.db2.gz BJKOPLOZQDQIOT-GDNZHBKUSA-N 0 1 440.568 5.975 50 30 IKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(F)c1 ZINC000018188716 557246397 /nfs/dbraw/zinc/24/63/97/557246397.db2.gz GGXZFQFEPIKPTM-WTYVLRPYSA-N 0 1 440.518 6.136 50 30 IKEAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2[nH]nc(C)c2[C@H]3c2ccccc2Cl)cc1OC ZINC000018199319 557251209 /nfs/dbraw/zinc/25/12/09/557251209.db2.gz FGWIEEWJNLXGFK-IQMFZBJNSA-N 0 1 449.938 5.347 50 30 IKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1O ZINC000100299485 557257133 /nfs/dbraw/zinc/25/71/33/557257133.db2.gz OPJAXOFGWGCBMU-DHRITJCHSA-N 0 1 445.431 5.367 50 30 IKEAMN CCCCCCCOc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(C)cc1 ZINC000102136841 557313344 /nfs/dbraw/zinc/31/33/44/557313344.db2.gz JRWHJVBJPMAUGZ-QFIPXVFZSA-N 0 1 437.565 5.326 50 30 IKEAMN CN(C)c1ccc(/N=C2/C(c3ccccc3)=CC(c3ccccc3)=C2c2ccccc2)cc1 ZINC000103686699 557318005 /nfs/dbraw/zinc/31/80/05/557318005.db2.gz DAMNZEXCJWTEKJ-MVJHLKBCSA-N 0 1 426.563 7.533 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000102506620 557339845 /nfs/dbraw/zinc/33/98/45/557339845.db2.gz ZAYNSVPITQDRCW-NHFXJNLRSA-N 0 1 448.450 5.201 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000102528539 557354128 /nfs/dbraw/zinc/35/41/28/557354128.db2.gz ZWAAUTXRPQCQGQ-WOOAAIBNSA-N 0 1 425.271 5.015 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000102568234 557354298 /nfs/dbraw/zinc/35/42/98/557354298.db2.gz BAABDVIXYBAOLD-YDJIHCHBSA-N 0 1 425.818 5.245 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000102568242 557354445 /nfs/dbraw/zinc/35/44/45/557354445.db2.gz BAABDVIXYBAOLD-NHFXJNLRSA-N 0 1 425.818 5.245 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000102625862 557360238 /nfs/dbraw/zinc/36/02/38/557360238.db2.gz CDPGZSMPWXGRIE-NHFXJNLRSA-N 0 1 442.273 5.759 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000102609361 557360560 /nfs/dbraw/zinc/36/05/60/557360560.db2.gz NBJGHJSMIDKCJL-NHFXJNLRSA-N 0 1 441.380 5.471 50 30 IKEAMN CCCCOc1ccc(/C=N/N=C2\NC(=O)C(Cc3ccc(CCCC)cc3)S2)cc1 ZINC000011690588 557369797 /nfs/dbraw/zinc/36/97/97/557369797.db2.gz USEAFHQMBMCKAE-ZCBHOAFYSA-N 0 1 437.609 5.372 50 30 IKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccs3)sc2c1 ZINC000102803347 557385704 /nfs/dbraw/zinc/38/57/04/557385704.db2.gz SMGNDBIWXRKMJC-GHNGSUTGSA-N 0 1 436.514 5.140 50 30 IKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3ccccc3)[C@H]2c2ccc(C#N)cc2)C1 ZINC000102857495 557398881 /nfs/dbraw/zinc/39/88/81/557398881.db2.gz NALGZXZFZNYTQS-MHZLTWQESA-N 0 1 447.538 6.665 50 30 IKEAMN O[C@@](C#CCN1CC[C@@H](c2ccccc2)C1)(c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000224123441 557408737 /nfs/dbraw/zinc/40/87/37/557408737.db2.gz ZIVDJFZROQALFF-PPTMTGTBSA-N 0 1 443.590 6.082 50 30 IKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102931305 557412818 /nfs/dbraw/zinc/41/28/18/557412818.db2.gz DDOKQZLYLWWRCT-ZHHPLPSFSA-N 0 1 445.515 5.208 50 30 IKEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(F)cc1 ZINC000104134871 557450984 /nfs/dbraw/zinc/45/09/84/557450984.db2.gz HIBCPDDLSNBMJZ-MRJHHRETSA-N 0 1 437.854 5.114 50 30 IKEAMN CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccccc3)cnn1[C@H]2c1ccc(F)c(F)c1 ZINC000044858946 557538067 /nfs/dbraw/zinc/53/80/67/557538067.db2.gz VBPPTAHUTKQBRZ-QFIPXVFZSA-N 0 1 448.473 5.072 50 30 IKEAMN CN1CCN(/C=N/c2c(C#N)c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccco2)CC1 ZINC000001459254 562922079 /nfs/dbraw/zinc/92/20/79/562922079.db2.gz GSLMHCIDVZVFAJ-MWAVMZGNSA-N 0 1 449.558 5.242 50 30 IKEAMN CCN(CC)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000000993757 568649342 /nfs/dbraw/zinc/64/93/42/568649342.db2.gz JONSVWVNVJWECN-AREMUKBSSA-N 0 1 431.580 5.696 50 30 IKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000001097818 568658856 /nfs/dbraw/zinc/65/88/56/568658856.db2.gz PHBSIRLDUCKWOM-XMMPIXPASA-N 0 1 426.516 5.292 50 30 IKEAMN COc1cccc(/N=C/c2c(O)c(C(=O)Nc3ccccc3OC)cc3ccccc32)c1 ZINC000001187437 568736220 /nfs/dbraw/zinc/73/62/20/568736220.db2.gz HAGWDUMLYVSLAY-JVWAILMASA-N 0 1 426.472 5.566 50 30 IKEAMN FC(F)(F)c1n[nH]c(=S)n1N=Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000001916059 568742204 /nfs/dbraw/zinc/74/22/04/568742204.db2.gz OKTNFXGVFPUKKN-BRJLIKDPSA-N 0 1 428.439 5.200 50 30 IKEAMN O=C(C1CC1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccnc1 ZINC000004035914 568759651 /nfs/dbraw/zinc/75/96/51/568759651.db2.gz MIWCWTRTLAOELW-JIPXPUAJSA-N 0 1 435.527 5.392 50 30 IKEAMN O=C(C1CC1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000004035911 568759739 /nfs/dbraw/zinc/75/97/39/568759739.db2.gz MIWCWTRTLAOELW-IDISGSTGSA-N 0 1 435.527 5.392 50 30 IKEAMN C[C@H](NC(=O)CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1 ZINC000001304560 568779217 /nfs/dbraw/zinc/77/92/17/568779217.db2.gz ZTAJNUUCTRKCMJ-HRQGHCQOSA-N 0 1 429.545 5.090 50 30 IKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1F ZINC000016731472 568792542 /nfs/dbraw/zinc/79/25/42/568792542.db2.gz IVDPNZJDFYAFMR-XMMPIXPASA-N 0 1 444.506 5.431 50 30 IKEAMN C=CCn1c(SCC2CCCCC2)nnc1C1CCN(Cc2cccc(C)n2)CC1 ZINC000014984452 568827589 /nfs/dbraw/zinc/82/75/89/568827589.db2.gz XWGSIFXUQLLGRR-UHFFFAOYSA-N 0 1 425.646 5.220 50 30 IKEAMN C#CCn1c2cc(OC)ccc2cc(CN[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1=O ZINC000014994567 568827618 /nfs/dbraw/zinc/82/76/18/568827618.db2.gz FNXGAIPLDSYUKP-SANMLTNESA-N 0 1 442.946 5.176 50 30 IKEAMN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000001118593 568836662 /nfs/dbraw/zinc/83/66/62/568836662.db2.gz FCZJQKYLOUNOCD-LJQANCHMSA-N 0 1 428.271 5.365 50 30 IKEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000006239978 568880747 /nfs/dbraw/zinc/88/07/47/568880747.db2.gz GNKVJRZBFROKGL-NRFANRHFSA-N 0 1 437.854 5.271 50 30 IKEAMN COc1c2c(cc3c1[C@@H](C/C(=N/O)C(CC=C(C)C)CC=C(C)C)N(C)CC3)OCO2 ZINC000006262260 568881101 /nfs/dbraw/zinc/88/11/01/568881101.db2.gz DXIVGIUXGUGYMH-MLQDUXEUSA-N 0 1 428.573 5.502 50 30 IKEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(F)cc1 ZINC000006283058 568881986 /nfs/dbraw/zinc/88/19/86/568881986.db2.gz VFYROTRSQQWLQJ-NRFANRHFSA-N 0 1 437.854 5.271 50 30 IKEAMN Oc1c(Br)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000001862792 568916981 /nfs/dbraw/zinc/91/69/81/568916981.db2.gz RTKIPTOFFIZMLM-YSURURNPSA-N 0 1 447.682 6.178 50 30 IKEAMN Cc1ccc(-c2nc3ccccc3o2)cc1/N=C/c1cc(Br)cc(Cl)c1O ZINC000001922775 568923270 /nfs/dbraw/zinc/92/32/70/568923270.db2.gz LRYNJNCZFJUICH-BHGWPJFGSA-N 0 1 441.712 6.675 50 30 IKEAMN COc1ccc(/C=[NH+]/[N-]c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 ZINC000006924755 569110186 /nfs/dbraw/zinc/11/01/86/569110186.db2.gz BIRITQJQAYKAJL-DHRITJCHSA-N 0 1 427.485 5.524 50 30 IKEAMN O=S(=O)(c1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1)N1CCc2ccccc21 ZINC000252462800 569184765 /nfs/dbraw/zinc/18/47/65/569184765.db2.gz WKILLFFPZWWTBN-UHFFFAOYSA-N 0 1 447.343 5.201 50 30 IKEAMN Cc1ccc2c(c1)c1c3n2CCN(CC(=NO)c2ccc(Br)cc2)[C@H]3CCC1 ZINC000252600905 569193853 /nfs/dbraw/zinc/19/38/53/569193853.db2.gz DVMIVQQSTIZTJJ-QFIPXVFZSA-N 0 1 438.369 5.284 50 30 IKEAMN CCOc1ccc(-c2nc3cc(N=Cc4cc(Cl)cc(Cl)c4O)ccc3o2)cc1 ZINC000252627845 569203552 /nfs/dbraw/zinc/20/35/52/569203552.db2.gz SCPWHNVFIRWVJK-UHFFFAOYSA-N 0 1 427.287 6.657 50 30 IKEAMN COc1c2c(cc3c1[C@H](CC(=NO)C(CC=C(C)C)CC=C(C)C)N(C)CC3)OCO2 ZINC000252678331 569210497 /nfs/dbraw/zinc/21/04/97/569210497.db2.gz DXIVGIUXGUGYMH-NRFANRHFSA-N 0 1 428.573 5.502 50 30 biogenic IKEAMN CCCC1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2)C1=O ZINC000002261583 569215788 /nfs/dbraw/zinc/21/57/88/569215788.db2.gz OOFYOLZPPLKISU-XRDZRPQXSA-N 0 1 430.371 5.083 50 30 IKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)c1O ZINC000027496536 569215811 /nfs/dbraw/zinc/21/58/11/569215811.db2.gz WUAQNZIWXGTJGU-WYMPLXKRSA-N 0 1 437.839 5.445 50 30 IKEAMN Brc1cccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 ZINC000239235518 569268621 /nfs/dbraw/zinc/26/86/21/569268621.db2.gz WCKHDOFNDAMKOH-UHFFFAOYSA-N 0 1 432.365 5.171 50 30 IKEAMN Brc1ccccc1C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000239173735 569268644 /nfs/dbraw/zinc/26/86/44/569268644.db2.gz OODAPYZVOYIJIK-UHFFFAOYSA-N 0 1 432.365 5.171 50 30 IKEAMN Brc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)s1 ZINC000239173896 569268694 /nfs/dbraw/zinc/26/86/94/569268694.db2.gz OWJQEZCCOFTTTF-UHFFFAOYSA-N 0 1 438.394 5.232 50 30 IKEAMN Cc1ccc(S(=O)(=O)Nc2ccccc2N=Cc2ccc(Br)cc2)cc1 ZINC000254907328 569274037 /nfs/dbraw/zinc/27/40/37/569274037.db2.gz XWCSFRGVLNKEAW-UHFFFAOYSA-N 0 1 429.339 5.309 50 30 IKEAMN CCC1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000002352181 569282784 /nfs/dbraw/zinc/28/27/84/569282784.db2.gz HUHMPQIMRFPRLA-VDFJPTLYSA-N 0 1 447.560 5.101 50 30 IKEAMN N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000013040895 569307578 /nfs/dbraw/zinc/30/75/78/569307578.db2.gz JMVFJFGVQYJCMU-HXUWFJFHSA-N 0 1 433.602 5.338 50 30 IKEAMN COc1ccc(OCCCOc2cccc(C=NNc3nc4ccccc4s3)c2)cc1 ZINC000013940179 569321745 /nfs/dbraw/zinc/32/17/45/569321745.db2.gz GQTSLHSBHNHSMB-KOEQRZSOSA-N 0 1 433.533 5.599 50 30 IKEAMN COc1ccc(OCCCOc2cccc(C=[NH+][N-]c3nc4ccccc4s3)c2)cc1 ZINC000013940179 569321746 /nfs/dbraw/zinc/32/17/46/569321746.db2.gz GQTSLHSBHNHSMB-KOEQRZSOSA-N 0 1 433.533 5.599 50 30 IKEAMN Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000020134773 569335674 /nfs/dbraw/zinc/33/56/74/569335674.db2.gz NCDROPGVNDBYAO-FQEVSTJZSA-N 0 1 428.492 5.494 50 30 IKEAMN CCCC[N@@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cn(CC)c3ccc(OC)cc13)O2 ZINC000028182812 569408792 /nfs/dbraw/zinc/40/87/92/569408792.db2.gz BNCBZIGIGYJUDJ-CFRMEGHHSA-N 0 1 434.536 5.224 50 30 IKEAMN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+](C)Cc3ccccc3)C2=O)c2ccccc21 ZINC000028182853 569408976 /nfs/dbraw/zinc/40/89/76/569408976.db2.gz FKXGRIWUNAQTNC-YSMPRRRNSA-N 0 1 438.527 5.615 50 30 IKEAMN COc1ccccc1NC(=O)c1cc2ccccc2c(/C=N/c2ccc(Cl)cc2)c1O ZINC000003130101 569440641 /nfs/dbraw/zinc/44/06/41/569440641.db2.gz YINJOIJEGMKFCV-JFLMPSFJSA-N 0 1 430.891 6.210 50 30 IKEAMN CCCCCCCCn1cnc2c1cc(C)c(C)c2NS(=O)(=O)c1ccc(OC)cc1 ZINC000003133377 569440711 /nfs/dbraw/zinc/44/07/11/569440711.db2.gz HYZQLVUKFJXZFE-UHFFFAOYSA-N 0 1 443.613 5.823 50 30 IKEAMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccc(F)cc1 ZINC000004119366 569459681 /nfs/dbraw/zinc/45/96/81/569459681.db2.gz PIOLVQGEXCLVMJ-AFUMVMLFSA-N 0 1 435.480 5.499 50 30 IKEAMN Cc1cc(/N=C/c2cc(Cl)cc(Cl)c2O)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032114685 569460335 /nfs/dbraw/zinc/46/03/35/569460335.db2.gz MGCITRQBIBVIPF-RPPGKUMJSA-N 0 1 439.298 6.757 50 30 IKEAMN C=CC[NH+](CC=C)Cc1c([O-])ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc21 ZINC000004290104 569461854 /nfs/dbraw/zinc/46/18/54/569461854.db2.gz SLOJDWMEAXNYSG-UHFFFAOYSA-N 0 1 439.511 6.132 50 30 IKEAMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000008722656 569471848 /nfs/dbraw/zinc/47/18/48/569471848.db2.gz FBQDQLYHLXDSDZ-AFUMVMLFSA-N 0 1 446.532 5.077 50 30 IKEAMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000008722656 569471849 /nfs/dbraw/zinc/47/18/49/569471849.db2.gz FBQDQLYHLXDSDZ-AFUMVMLFSA-N 0 1 446.532 5.077 50 30 IKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000008740994 569472941 /nfs/dbraw/zinc/47/29/41/569472941.db2.gz KVZNFTVLSSYOJF-HXUWFJFHSA-N 0 1 448.475 5.374 50 30 IKEAMN Cc1cc(C)nc(N=C(NCc2ccccc2)NC(=S)Nc2cccc(Cl)c2C)n1 ZINC000008757291 569474134 /nfs/dbraw/zinc/47/41/34/569474134.db2.gz RVELXSFCWAXUAD-UHFFFAOYSA-N 0 1 438.988 5.010 50 30 IKEAMN FC(F)(F)c1cnc(C(=NNc2cccc(Cl)n2)c2ccc(Cl)cc2)c(Cl)c1 ZINC000008762156 569474282 /nfs/dbraw/zinc/47/42/82/569474282.db2.gz HOGJZKDRNSHPCA-NTFVMDSBSA-N 0 1 445.659 6.320 50 30 IKEAMN C[C@@H](NC(=O)CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1 ZINC000008763346 569474435 /nfs/dbraw/zinc/47/44/35/569474435.db2.gz ZTAJNUUCTRKCMJ-OKCZUIDTSA-N 0 1 429.545 5.090 50 30 IKEAMN CCN(CC)c1ccc(C=[NH+][N-]c2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000008766260 569474836 /nfs/dbraw/zinc/47/48/36/569474836.db2.gz BDPSWEFVRZVWCQ-LPYMAVHISA-N 0 1 429.387 5.865 50 30 IKEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008818145 569476993 /nfs/dbraw/zinc/47/69/93/569476993.db2.gz VHZOHYRWKVKIDZ-NWEVARLASA-N 0 1 445.902 5.531 50 30 IKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2)o1 ZINC000008836260 569478021 /nfs/dbraw/zinc/47/80/21/569478021.db2.gz MBAWOVYVMBPVCE-IBGZPJMESA-N 0 1 434.448 5.120 50 30 IKEAMN COc1c2c(cc3c1[C@H](C/C(=N\O)C1=CC[C@H](CCC=C(C)C)CC1)N(C)CC3)OCO2 ZINC000008917797 569486107 /nfs/dbraw/zinc/48/61/07/569486107.db2.gz PBRQQVMWXPODJH-BHXSFXPRSA-N 0 1 440.584 5.646 50 30 biogenic IKEAMN O=[N+]([O-])c1cccc(-c2ccc(C=NN=c3nc[nH]c4scc(-c5ccccc5)c43)o2)c1 ZINC000008970562 569492035 /nfs/dbraw/zinc/49/20/35/569492035.db2.gz FNRUVQPSEKXRTD-RPPGKUMJSA-N 0 1 441.472 5.973 50 30 IKEAMN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(F)c3)nc2c(C)c1 ZINC000008974037 569492874 /nfs/dbraw/zinc/49/28/74/569492874.db2.gz VDWMHFYHGMWJQZ-HXUWFJFHSA-N 0 1 448.475 5.428 50 30 IKEAMN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(F)c3)nc2c(C)c1 ZINC000008974038 569492897 /nfs/dbraw/zinc/49/28/97/569492897.db2.gz VDWMHFYHGMWJQZ-FQEVSTJZSA-N 0 1 448.475 5.428 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000009043059 569497872 /nfs/dbraw/zinc/49/78/72/569497872.db2.gz OKTCCZOTRGHVAI-FQEVSTJZSA-N 0 1 448.450 5.357 50 30 IKEAMN O=C(c1cccs1)C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1 ZINC000009046547 569498368 /nfs/dbraw/zinc/49/83/68/569498368.db2.gz MESAEETYMXDSTI-GOSISDBHSA-N 0 1 436.489 5.280 50 30 IKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)cc2)sc1C ZINC000009174674 569509681 /nfs/dbraw/zinc/50/96/81/569509681.db2.gz NSDCRQFEPMSZRH-MRXNPFEDSA-N 0 1 430.938 5.258 50 30 IKEAMN Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009178595 569509814 /nfs/dbraw/zinc/50/98/14/569509814.db2.gz PRRJUAPXNLMRCP-IBGZPJMESA-N 0 1 434.448 5.120 50 30 IKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)sc1C ZINC000009280209 569518583 /nfs/dbraw/zinc/51/85/83/569518583.db2.gz MGNDMWQWNBDPQE-GOSISDBHSA-N 0 1 442.899 5.335 50 30 IKEAMN CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000009319713 569522515 /nfs/dbraw/zinc/52/25/15/569522515.db2.gz FNWNMWZUGOEHMU-PCLIKHOPSA-N 0 1 430.533 5.468 50 30 IKEAMN O=[N+]([O-])c1ccc(-c2ccc(C=NN=c3nc[nH]c4scc(-c5ccccc5)c43)o2)cc1 ZINC000009345064 569524076 /nfs/dbraw/zinc/52/40/76/569524076.db2.gz HGUWJLILPSRAQU-RPPGKUMJSA-N 0 1 441.472 5.973 50 30 IKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccco3)sc2c1 ZINC000009354343 569525046 /nfs/dbraw/zinc/52/50/46/569525046.db2.gz DSGFOHUFBCJRFX-FQEVSTJZSA-N 0 1 448.475 5.374 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000009370685 569526813 /nfs/dbraw/zinc/52/68/13/569526813.db2.gz XIZYHBSYRMMUKS-INIZCTEOSA-N 0 1 431.300 5.233 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000009373808 569527078 /nfs/dbraw/zinc/52/70/78/569527078.db2.gz OFOKFWYKNUHIHD-FQEVSTJZSA-N 0 1 442.273 5.915 50 30 IKEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1 ZINC000009380692 569527975 /nfs/dbraw/zinc/52/79/75/569527975.db2.gz DQABYKGBWCPQHX-LJQANCHMSA-N 0 1 428.326 5.136 50 30 IKEAMN CC(C)Oc1ccc(-c2nc3ccccc3c(N=NCc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000009428450 569533532 /nfs/dbraw/zinc/53/35/32/569533532.db2.gz HFXLDSVOLUUBDU-MFKUBSTISA-N 0 1 427.464 5.438 50 30 IKEAMN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000009433802 569534620 /nfs/dbraw/zinc/53/46/20/569534620.db2.gz FBYPDFQFWBGNMS-IBGZPJMESA-N 0 1 428.271 5.365 50 30 IKEAMN Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)n1 ZINC000009465022 569537841 /nfs/dbraw/zinc/53/78/41/569537841.db2.gz AIHYJFHSIVRGEY-HXUWFJFHSA-N 0 1 441.512 5.008 50 30 IKEAMN Cc1csc(C(C#N)C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)n1 ZINC000009465022 569537842 /nfs/dbraw/zinc/53/78/42/569537842.db2.gz AIHYJFHSIVRGEY-HXUWFJFHSA-N 0 1 441.512 5.008 50 30 IKEAMN COc1ccc([C@H](CNC(=O)c2ccccc2-c2ccccc2C#N)N2CCCCC2)cc1 ZINC000009596736 569550789 /nfs/dbraw/zinc/55/07/89/569550789.db2.gz TXIYISFXXMHVHN-MHZLTWQESA-N 0 1 439.559 5.191 50 30 IKEAMN CCc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009597321 569550883 /nfs/dbraw/zinc/55/08/83/569550883.db2.gz HQBKRZPRWVGCDG-NRFANRHFSA-N 0 1 431.967 6.493 50 30 IKEAMN COc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009597276 569550885 /nfs/dbraw/zinc/55/08/85/569550885.db2.gz ZBAISACIXZAJKW-QFIPXVFZSA-N 0 1 442.563 5.352 50 30 IKEAMN CCc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009597340 569550918 /nfs/dbraw/zinc/55/09/18/569550918.db2.gz RRBLGNUYBZGXNA-QHCPKHFHSA-N 0 1 440.591 5.906 50 30 IKEAMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCCCOc1ccc(C)cc1 ZINC000009762996 569566602 /nfs/dbraw/zinc/56/66/02/569566602.db2.gz AEJVMBCAVVQZNI-YZSQISJMSA-N 0 1 447.560 5.907 50 30 IKEAMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCCCOc1ccc(C)cc1 ZINC000009762996 569566603 /nfs/dbraw/zinc/56/66/03/569566603.db2.gz AEJVMBCAVVQZNI-YZSQISJMSA-N 0 1 447.560 5.907 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000009763881 569566718 /nfs/dbraw/zinc/56/67/18/569566718.db2.gz JYBMJHLXAWDXDQ-MRXNPFEDSA-N 0 1 431.300 5.233 50 30 IKEAMN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000009861341 569571981 /nfs/dbraw/zinc/57/19/81/569571981.db2.gz VMKGWHZLRLLONO-DEOSSOPVSA-N 0 1 443.374 6.691 50 30 IKEAMN C=CCOc1ccc2c(c1)C(=NNc1nc3ccccc3s1)c1cc(OCC=C)ccc1-2 ZINC000020615555 569582878 /nfs/dbraw/zinc/58/28/78/569582878.db2.gz HFJNYWPHKLIBQQ-UHFFFAOYSA-N 0 1 439.540 6.271 50 30 IKEAMN Cc1c(C=NNc2nc3ccccc3s2)c2cc(C)ccc2n1CCOc1ccccc1 ZINC000001861045 569583076 /nfs/dbraw/zinc/58/30/76/569583076.db2.gz CQFVMJFYEKIOFV-WPWMEQJKSA-N 0 1 440.572 6.393 50 30 IKEAMN Cc1c(C=[NH+][N-]c2nc3ccccc3s2)c2cc(C)ccc2n1CCOc1ccccc1 ZINC000001861045 569583077 /nfs/dbraw/zinc/58/30/77/569583077.db2.gz CQFVMJFYEKIOFV-WPWMEQJKSA-N 0 1 440.572 6.393 50 30 IKEAMN COc1cc(C=NN=c2[nH]c3ccccc3s2)cc(OC)c1OCCOc1ccccc1 ZINC000008952458 569584165 /nfs/dbraw/zinc/58/41/65/569584165.db2.gz KJKSTWALRSJEDE-PCLIKHOPSA-N 0 1 449.532 5.217 50 30 IKEAMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)cc(OC)c1OCCOc1ccccc1 ZINC000008952458 569584166 /nfs/dbraw/zinc/58/41/66/569584166.db2.gz KJKSTWALRSJEDE-PCLIKHOPSA-N 0 1 449.532 5.217 50 30 IKEAMN Cc1ccccc1OCCCn1cc(C=NNc2nc3ccccc3s2)c2ccccc21 ZINC000001849961 569584576 /nfs/dbraw/zinc/58/45/76/569584576.db2.gz UMDKFHHMWCZKTR-WPWMEQJKSA-N 0 1 440.572 6.475 50 30 IKEAMN Brc1ccc(-c2nc(NN=Cc3cccnc3)cc(-c3ccccc3)n2)cc1 ZINC000013452429 518208082 /nfs/dbraw/zinc/20/80/82/518208082.db2.gz RPBNQSJCACXPMD-MFKUBSTISA-N 0 1 430.309 5.414 50 30 IKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccccc2)Cc2ccc(C)cc2)o1 ZINC000036157127 518697724 /nfs/dbraw/zinc/69/77/24/518697724.db2.gz FSGOTEYAPVEDKM-UHFFFAOYSA-N 0 1 429.604 6.910 50 30 IKEAMN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2cccc(OC)c2OC)CC(C)C)o1 ZINC000036202338 518698524 /nfs/dbraw/zinc/69/85/24/518698524.db2.gz RFQLEDWFNNVXBE-UHFFFAOYSA-N 0 1 441.612 6.075 50 30 IKEAMN C=CCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346382 518712206 /nfs/dbraw/zinc/71/22/06/518712206.db2.gz BULAUXGPKRBROA-HSZRJFAPSA-N 0 1 437.559 5.651 50 30 IKEAMN C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C1CC1 ZINC000036303865 518716808 /nfs/dbraw/zinc/71/68/08/518716808.db2.gz DQAKUMVPNOACMG-HSZRJFAPSA-N 0 1 447.579 5.273 50 30 IKEAMN C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036346029 518718231 /nfs/dbraw/zinc/71/82/31/518718231.db2.gz IJSJJTVOWIJOKW-JOCHJYFZSA-N 0 1 435.543 5.404 50 30 IKEAMN C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C1CC1 ZINC000036303868 518726614 /nfs/dbraw/zinc/72/66/14/518726614.db2.gz DQAKUMVPNOACMG-QHCPKHFHSA-N 0 1 447.579 5.273 50 30 IKEAMN C=CCN(CC(=O)N1N=C(c2ccc(C)cc2C)C[C@H]1c1ccc(C)cc1)C1CCCC1 ZINC000036342502 518755395 /nfs/dbraw/zinc/75/53/95/518755395.db2.gz QXKLBYOKTHZJST-MHZLTWQESA-N 0 1 429.608 5.720 50 30 IKEAMN C=CCN(CC(=O)N1N=C(c2ccc(C)cc2C)C[C@@H]1c1ccc(C)cc1)C1CCCC1 ZINC000036342503 518755834 /nfs/dbraw/zinc/75/58/34/518755834.db2.gz QXKLBYOKTHZJST-HHHXNRCGSA-N 0 1 429.608 5.720 50 30 IKEAMN C=CCN(Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000035840738 518787810 /nfs/dbraw/zinc/78/78/10/518787810.db2.gz VVMHVMOLPOLZEE-MUUNZHRXSA-N 0 1 446.635 5.400 50 30 IKEAMN C=CCN(Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccccc1 ZINC000035840736 518788729 /nfs/dbraw/zinc/78/87/29/518788729.db2.gz VVMHVMOLPOLZEE-NDEPHWFRSA-N 0 1 446.635 5.400 50 30 IKEAMN C=CCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036345929 518984772 /nfs/dbraw/zinc/98/47/72/518984772.db2.gz BTNKXNDHPBLBFH-DEOSSOPVSA-N 0 1 449.595 5.057 50 30 IKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009512372 519023821 /nfs/dbraw/zinc/02/38/21/519023821.db2.gz BHJIBJSFOXOHQP-QFIPXVFZSA-N 0 1 449.890 5.276 50 30 IKEAMN CC(C)C(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000012381905 519477669 /nfs/dbraw/zinc/47/76/69/519477669.db2.gz QMJDXUNAWVEDGN-SIBVEZHUSA-N 0 1 426.516 5.836 50 30 IKEAMN CC(C)[C@@H](C)N(Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccccc1C#N ZINC000035841216 519791345 /nfs/dbraw/zinc/79/13/45/519791345.db2.gz PLDAIQVGENZVHD-HXUWFJFHSA-N 0 1 439.525 6.474 50 30 IKEAMN CC(C)[C@H](C)N(Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccccc1C#N ZINC000035841218 519812056 /nfs/dbraw/zinc/81/20/56/519812056.db2.gz PLDAIQVGENZVHD-FQEVSTJZSA-N 0 1 439.525 6.474 50 30 IKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NCc3ccco3)[C@@H]2c2ccccc2)C1 ZINC000021722095 520262474 /nfs/dbraw/zinc/26/24/74/520262474.db2.gz NKIMWHYTPHUKNG-RUZDIDTESA-N 0 1 441.531 5.806 50 30 IKEAMN CCCC1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000013581926 520896670 /nfs/dbraw/zinc/89/66/70/520896670.db2.gz FMMOZPPXADXNAA-NOTAPSAMSA-N 0 1 448.361 5.222 50 30 IKEAMN CCCCOc1ccccc1/C=N/N=C1\NC(=O)C(Cc2ccc(CCCC)cc2)S1 ZINC000012194667 520911521 /nfs/dbraw/zinc/91/15/21/520911521.db2.gz GVCOBXZNLSJPRX-HXTHCWADSA-N 0 1 437.609 5.372 50 30 IKEAMN CCCCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O ZINC000013598308 521121699 /nfs/dbraw/zinc/12/16/99/521121699.db2.gz CDXXXPXFENUARQ-UKAZCEGMSA-N 0 1 433.552 6.003 50 30 IKEAMN CN(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000009013310 522126130 /nfs/dbraw/zinc/12/61/30/522126130.db2.gz WSUOWPUTAGHNMG-PCLIKHOPSA-N 0 1 429.549 5.135 50 30 IKEAMN CCc1n[nH]c(=S)n1N=Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000001915752 522127801 /nfs/dbraw/zinc/12/78/01/522127801.db2.gz QIFAYUWFFXCKEL-LSHDLFTRSA-N 0 1 437.352 5.280 50 30 IKEAMN COc1ccc(-c2cc3n(n2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000021658647 523123237 /nfs/dbraw/zinc/12/32/37/523123237.db2.gz XNTUUJSWAIEBTQ-DEOSSOPVSA-N 0 1 433.939 5.870 50 30 IKEAMN COc1ccc(-c2nc3cc(C)ccc3o2)cc1/N=C/c1cc([N+](=O)[O-])cc(OC)c1O ZINC000013476215 523230125 /nfs/dbraw/zinc/23/01/25/523230125.db2.gz RJMBIMNAZZNGPD-WYMPLXKRSA-N 0 1 433.420 5.185 50 30 IKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000009123183 523285658 /nfs/dbraw/zinc/28/56/58/523285658.db2.gz YSXMGWOQEKTMTN-XMMPIXPASA-N 0 1 443.499 5.094 50 30 IKEAMN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@H+]3CCC[C@@H](C)C3)C2=O)c2cc(OC)ccc21 ZINC000020649671 523303880 /nfs/dbraw/zinc/30/38/80/523303880.db2.gz CYWOHMRXGGESRQ-YTIGJDNKSA-N 0 1 446.547 5.224 50 30 IKEAMN CCC1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O ZINC000013618191 523421967 /nfs/dbraw/zinc/42/19/67/523421967.db2.gz OYEUKCYVXSYVKV-NVHJWRPJSA-N 0 1 430.371 5.002 50 30 IKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102804626 524059935 /nfs/dbraw/zinc/05/99/35/524059935.db2.gz RBUCHGOSYOAKIV-NHFXJNLRSA-N 0 1 448.475 5.217 50 30 IKEAMN COc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)c1 ZINC000018249863 524111987 /nfs/dbraw/zinc/11/19/87/524111987.db2.gz YDTXFOIGDQGKQP-OAQYLSRUSA-N 0 1 444.453 5.401 50 30 IKEAMN C[C@H]1CCc2[nH]c3ccc(C(=O)C(C#N)c4nc(-c5ccc(Cl)cc5)cs4)cc3c2C1 ZINC000013133651 524432938 /nfs/dbraw/zinc/43/29/38/524432938.db2.gz XNCFSDXCKWWEHX-XOBRGWDASA-N 0 1 445.975 6.560 50 30 IKEAMN COc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2ccccc2N1C(=O)Cc1cccs1 ZINC000012652214 524806055 /nfs/dbraw/zinc/80/60/55/524806055.db2.gz LPLOBBGHUSLRJJ-SANMLTNESA-N 0 1 444.556 5.506 50 30 IKEAMN COc1ccc(OCCOc2cc(C)cc(C)c2)c(C=NNc2nc3ccccc3s2)c1 ZINC000012465415 524963251 /nfs/dbraw/zinc/96/32/51/524963251.db2.gz JJJVQTBILMJABN-WGOQTCKBSA-N 0 1 447.560 5.826 50 30 IKEAMN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3ccco3)C2)cc1 ZINC000006498942 525230114 /nfs/dbraw/zinc/23/01/14/525230114.db2.gz VKWBHSAKGOIDEP-HFJWLAOPSA-N 0 1 428.488 5.209 50 30 IKEAMN C[C@@H]1C[C@H](C)C[N@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc(Cl)cc2Cl)O3)C1 ZINC000013654400 525383354 /nfs/dbraw/zinc/38/33/54/525383354.db2.gz ASMRQDHESBTGRW-IBYOTXECSA-N 0 1 432.347 5.793 50 30 IKEAMN Cc1ccnc(N2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000012634223 525664674 /nfs/dbraw/zinc/66/46/74/525664674.db2.gz ZIVANBKPGUYQHS-FQEVSTJZSA-N 0 1 439.298 5.480 50 30 IKEAMN Cc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3cc(Cl)cc(Cl)c3O)n2)cc1 ZINC000008927092 525713466 /nfs/dbraw/zinc/71/34/66/525713466.db2.gz FKNAOFMSSQOWLQ-MZJWZYIUSA-N 0 1 449.341 6.577 50 30 IKEAMN S=c1[nH]nc(-c2cc(-c3ccccc3)[nH]n2)n1N=Cc1c2ccccc2cc2ccccc21 ZINC000012508129 526386956 /nfs/dbraw/zinc/38/69/56/526386956.db2.gz WCLOWKRTLPNLSV-JVWAILMASA-N 0 1 446.539 6.186 50 30 IKEAMN S=c1[nH]nc(-c2cccs2)n1N=Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000013658329 526388353 /nfs/dbraw/zinc/38/83/53/526388353.db2.gz RQEAZYGFPYYARZ-CIAFOILYSA-N 0 1 434.575 5.466 50 30 IKEAMN Clc1cccc(-c2nc(-c3cccc(C#Cc4ccccc4)c3)[nH]c2-c2ccccc2)c1 ZINC000012323305 526971526 /nfs/dbraw/zinc/97/15/26/526971526.db2.gz DFMMYWZPHBMLMV-UHFFFAOYSA-N 0 1 430.938 7.464 50 30 IKEAMN O=C(Nc1ccc(F)cc1)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1cccs1 ZINC000021722356 527201205 /nfs/dbraw/zinc/20/12/05/527201205.db2.gz UXMJPCZSTGZVAR-HSZRJFAPSA-N 0 1 433.508 6.100 50 30 IKEAMN O=C(Nc1ccccc1Cl)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1cccs1 ZINC000021722344 527416022 /nfs/dbraw/zinc/41/60/22/527416022.db2.gz WUOQABCHMVFLCT-HSZRJFAPSA-N 0 1 449.963 6.614 50 30 IKEAMN O=C(NC1CCCCC1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000012652151 527514182 /nfs/dbraw/zinc/51/41/82/527514182.db2.gz SQDBBVURPPOYFW-VWLOTQADSA-N 0 1 449.982 6.363 50 30 IKEAMN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000674139 555532758 /nfs/dbraw/zinc/53/27/58/555532758.db2.gz MDSSCXDGYAOCPG-NSYGIPOTSA-N 0 1 443.459 5.108 50 30 IKEAMN CCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000000688884 555541372 /nfs/dbraw/zinc/54/13/72/555541372.db2.gz LKOYHHDDYIPSGE-VWLOTQADSA-N 0 1 432.564 5.884 50 30 IKEAMN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000000986588 555594999 /nfs/dbraw/zinc/59/49/99/555594999.db2.gz ZTASUGYKTPNPGU-SIBVEZHUSA-N 0 1 442.584 6.305 50 30 IKEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000001120531 555637294 /nfs/dbraw/zinc/63/72/94/555637294.db2.gz COVPLLUFWZDQIK-GMAHTHKFSA-N 0 1 433.548 5.050 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1cccc(Br)c1 ZINC000001169241 555665636 /nfs/dbraw/zinc/66/56/36/555665636.db2.gz OKUJJDNMJVPNGC-JOCHJYFZSA-N 0 1 425.326 5.366 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1cccc(Br)c1 ZINC000001169242 555665943 /nfs/dbraw/zinc/66/59/43/555665943.db2.gz OKUJJDNMJVPNGC-QFIPXVFZSA-N 0 1 425.326 5.366 50 30 IKEAMN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1Cl ZINC000001199306 555677904 /nfs/dbraw/zinc/67/79/04/555677904.db2.gz MMIJTDNGKZNQHE-XHCCPWGMSA-N 0 1 442.946 6.261 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001199635 555678244 /nfs/dbraw/zinc/67/82/44/555678244.db2.gz OORWVNVDYBEJOM-LJQANCHMSA-N 0 1 425.271 5.171 50 30 IKEAMN O=C1/C(=C/c2cc(Cl)cc(Cl)c2O)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000002084621 555739473 /nfs/dbraw/zinc/73/94/73/555739473.db2.gz RNTWUJDCCSQWMC-TVNBHEQGSA-N 0 1 441.339 6.508 50 30 IKEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(C(C)(C)C)cc2)cc1Br ZINC000002706390 555800807 /nfs/dbraw/zinc/80/08/07/555800807.db2.gz OEPAZHJHUXFALX-WSDLNYQXSA-N 0 1 445.386 5.558 50 30 IKEAMN O=[N+]([O-])c1ccc(C=NN=c2nc(-c3ccccc3)c3cc(Br)ccc3[nH]2)o1 ZINC000004577685 556002719 /nfs/dbraw/zinc/00/27/19/556002719.db2.gz AMFHUDPQIPHXIT-NHDPSOOVSA-N 0 1 438.241 5.007 50 30 IKEAMN CCCCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000008431735 556171511 /nfs/dbraw/zinc/17/15/11/556171511.db2.gz IZGYIPCECYBTOM-SANMLTNESA-N 0 1 432.564 6.028 50 30 IKEAMN CCCCCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000008432072 556171557 /nfs/dbraw/zinc/17/15/57/556171557.db2.gz BZFSOUBHLWUHFZ-MHZLTWQESA-N 0 1 446.591 6.419 50 30 IKEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008440065 556176100 /nfs/dbraw/zinc/17/61/00/556176100.db2.gz ATQYDIYZLYDUPD-RUZDIDTESA-N 0 1 439.555 6.071 50 30 IKEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000008440797 556176527 /nfs/dbraw/zinc/17/65/27/556176527.db2.gz CYYVWSFVWZGQGP-OAQYLSRUSA-N 0 1 437.517 5.299 50 30 IKEAMN CCCOc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CC)c1 ZINC000008443856 556178578 /nfs/dbraw/zinc/17/85/78/556178578.db2.gz XBPUHAZGAJUOGE-SANMLTNESA-N 0 1 432.564 6.028 50 30 IKEAMN Oc1c(Cl)cc(Br)cc1/C=N/c1ccc(-c2nc3ccccc3s2)cc1 ZINC000003066593 556187229 /nfs/dbraw/zinc/18/72/29/556187229.db2.gz FLLYMRITOFJGNC-FOKLQQMPSA-N 0 1 443.753 6.835 50 30 IKEAMN CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000008741465 556206997 /nfs/dbraw/zinc/20/69/97/556206997.db2.gz VXPYLFGBYLCGDV-NRFANRHFSA-N 0 1 432.545 5.219 50 30 IKEAMN COc1cccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)c1 ZINC000008914000 556231980 /nfs/dbraw/zinc/23/19/80/556231980.db2.gz FVWWBSVRCAEWET-LYZGTLIUSA-N 0 1 438.527 5.616 50 30 IKEAMN COc1cccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)c1 ZINC000008913999 556232015 /nfs/dbraw/zinc/23/20/15/556232015.db2.gz FVWWBSVRCAEWET-RBTNQOKQSA-N 0 1 438.527 5.616 50 30 IKEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000009008209 556240175 /nfs/dbraw/zinc/24/01/75/556240175.db2.gz WHRHZLHXXNQFAM-HXUWFJFHSA-N 0 1 439.298 5.167 50 30 IKEAMN CCN(CC)c1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2Br)cc1 ZINC000009009782 556240561 /nfs/dbraw/zinc/24/05/61/556240561.db2.gz WLVWBARTACPUQP-FYJGNVAPSA-N 0 1 430.375 5.099 50 30 IKEAMN CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc2c(c1)OCO2 ZINC000009042936 556242321 /nfs/dbraw/zinc/24/23/21/556242321.db2.gz OLWBKSRHNUZJJA-SANMLTNESA-N 0 1 446.547 5.604 50 30 IKEAMN CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc2c(c1)OCO2 ZINC000009046066 556242875 /nfs/dbraw/zinc/24/28/75/556242875.db2.gz WEWIQWUUBJGZRD-SANMLTNESA-N 0 1 446.547 5.749 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000009046270 556242895 /nfs/dbraw/zinc/24/28/95/556242895.db2.gz VXDXCRGRXUBKCO-FQEVSTJZSA-N 0 1 448.450 5.357 50 30 IKEAMN COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)cc1COc1ccc(Cl)cc1 ZINC000009065237 556244485 /nfs/dbraw/zinc/24/44/85/556244485.db2.gz MCYBNSXGBIWKQK-MKMNVTDBSA-N 0 1 444.914 6.683 50 30 IKEAMN COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)cc1COc1cccc(C)c1C ZINC000009065203 556244550 /nfs/dbraw/zinc/24/45/50/556244550.db2.gz FIDBMWCMAPYQQU-RVDMUPIBSA-N 0 1 438.523 6.646 50 30 IKEAMN Cc1cc(C)nc(NC(=NC(=S)Nc2ccccc2)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000009065449 556244783 /nfs/dbraw/zinc/24/47/83/556244783.db2.gz GTNUJWHLVLPMIB-UHFFFAOYSA-N 0 1 445.379 5.677 50 30 IKEAMN COc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccccc2)cc1 ZINC000009264179 556270110 /nfs/dbraw/zinc/27/01/10/556270110.db2.gz JPLOWEVPXSUXRA-AREMUKBSSA-N 0 1 439.515 5.908 50 30 IKEAMN COc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1C(C)=O ZINC000009264313 556270379 /nfs/dbraw/zinc/27/03/79/556270379.db2.gz GHIOUXPTYCHIBO-WGDIFIGCSA-N 0 1 428.488 5.209 50 30 IKEAMN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000009370626 556286171 /nfs/dbraw/zinc/28/61/71/556286171.db2.gz RVFGCCQXPBNYMV-NRFANRHFSA-N 0 1 448.316 5.228 50 30 IKEAMN CCCCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2C)C1=O ZINC000013751026 556299082 /nfs/dbraw/zinc/29/90/82/556299082.db2.gz QPSMUHWMGMTHMJ-UVQVWFEYSA-N 0 1 429.589 6.173 50 30 IKEAMN COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)cc1Cn1nnc2ccccc21 ZINC000013785290 556308848 /nfs/dbraw/zinc/30/88/48/556308848.db2.gz INXGWDZFNZKCLO-GXDHUFHOSA-N 0 1 435.483 5.243 50 30 IKEAMN COc1ccc2cc(C=NNc3ncnc4scc(-c5ccccc5)c43)c(Cl)nc2c1 ZINC000013810764 556312302 /nfs/dbraw/zinc/31/23/02/556312302.db2.gz YBAUQSBQEUYOFQ-LUOAPIJWSA-N 0 1 445.935 6.015 50 30 IKEAMN O=C(c1ccccc1)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000009861333 556315010 /nfs/dbraw/zinc/31/50/10/556315010.db2.gz UENBBEOHPDSUAO-RUZDIDTESA-N 0 1 428.919 6.161 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000009934354 556318208 /nfs/dbraw/zinc/31/82/08/556318208.db2.gz RNCCSISZHQBOIK-CLYVBNDRSA-N 0 1 442.515 5.599 50 30 IKEAMN COc1ccc([C@@H]2C3C(=O)C[C@H](C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000010035310 556323005 /nfs/dbraw/zinc/32/30/05/556323005.db2.gz KQYMAEBHQWVZEK-DNOBIOAJSA-N 0 1 438.527 5.762 50 30 IKEAMN Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2SCC(C)C)cc1C ZINC000032828895 556413346 /nfs/dbraw/zinc/41/33/46/556413346.db2.gz ABLGNCLFNSDTPG-HXUWFJFHSA-N 0 1 425.579 5.033 50 30 IKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000003090310 556519227 /nfs/dbraw/zinc/51/92/27/556519227.db2.gz CTJCNYZBIXKWDW-UVHMKAGCSA-N 0 1 433.294 7.411 50 30 IKEAMN Cc1ccc(-c2nc3ccccc3c(NN=Cc3cc(Br)ccc3O)n2)cc1 ZINC000016667056 556621698 /nfs/dbraw/zinc/62/16/98/556621698.db2.gz KWZVJWDOVIPXDJ-ZMOGYAJESA-N 0 1 433.309 5.519 50 30 IKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(CC)cc2)cc1 ZINC000016732246 556631602 /nfs/dbraw/zinc/63/16/02/556631602.db2.gz KIHDCBXSHUIXFX-DEOSSOPVSA-N 0 1 443.499 5.185 50 30 IKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(CC)cc2)cc1 ZINC000016732249 556631672 /nfs/dbraw/zinc/63/16/72/556631672.db2.gz KIHDCBXSHUIXFX-XMMPIXPASA-N 0 1 443.499 5.185 50 30 IKEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000016805796 556643640 /nfs/dbraw/zinc/64/36/40/556643640.db2.gz SIHVLLOLDNWOII-XMMPIXPASA-N 0 1 445.490 5.393 50 30 IKEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000016805795 556643650 /nfs/dbraw/zinc/64/36/50/556643650.db2.gz SIHVLLOLDNWOII-DEOSSOPVSA-N 0 1 445.490 5.393 50 30 IKEAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000017028005 556653554 /nfs/dbraw/zinc/65/35/54/556653554.db2.gz AZRWCPUUKODWHN-JOCHJYFZSA-N 0 1 428.454 5.868 50 30 IKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(F)c1 ZINC000018137676 556684663 /nfs/dbraw/zinc/68/46/63/556684663.db2.gz FCTUPJZLWWGATE-DCFHFQCYSA-N 0 1 426.491 5.746 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(OC)c(OC)c1 ZINC000018172875 556685641 /nfs/dbraw/zinc/68/56/41/556685641.db2.gz BQCCHOWCZWHBJU-RUZDIDTESA-N 0 1 434.536 5.257 50 30 IKEAMN CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000018286675 556689332 /nfs/dbraw/zinc/68/93/32/556689332.db2.gz VFTKHMOCXQDQJR-SANMLTNESA-N 0 1 444.619 6.783 50 30 IKEAMN COc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000018323436 556689390 /nfs/dbraw/zinc/68/93/90/556689390.db2.gz MPDSXYRJWFCSBN-QYBDOPJKSA-N 0 1 428.488 5.209 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(N(CC)CC)cc1 ZINC000018324217 556689585 /nfs/dbraw/zinc/68/95/85/556689585.db2.gz MMJIPLSDWUQPEK-HHHXNRCGSA-N 0 1 445.607 6.086 50 30 IKEAMN Oc1c(Cl)cc(Br)cc1/C=N/c1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000003115556 556721974 /nfs/dbraw/zinc/72/19/74/556721974.db2.gz NLKGHBIHWCDUKS-YSURURNPSA-N 0 1 445.675 6.506 50 30 IKEAMN Oc1c(Cl)cc(Br)cc1/C=N/c1cccc(-c2nc3ccccc3s2)c1 ZINC000003116238 556803329 /nfs/dbraw/zinc/80/33/29/556803329.db2.gz GOUVQIGDVKDNLR-FOKLQQMPSA-N 0 1 443.753 6.835 50 30 IKEAMN C/C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(-c2ccccc2)cc1 ZINC000019682486 556841879 /nfs/dbraw/zinc/84/18/79/556841879.db2.gz PNEMWLJFJBSCRB-AWSUPERCSA-N 0 1 443.594 6.465 50 30 IKEAMN CCC(C)(C)[C@H]1CCc2sc3[nH]cnc(=NN=Cc4c(Cl)cccc4Cl)c3c2C1 ZINC000033097080 556858276 /nfs/dbraw/zinc/85/82/76/556858276.db2.gz ZMUWKRLESJFUPP-KCENJROVSA-N 0 1 447.435 6.985 50 30 IKEAMN C/C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1cccc(Br)c1 ZINC000019808405 556918337 /nfs/dbraw/zinc/91/83/37/556918337.db2.gz QQARQCPVDSCHEQ-OVVQPSECSA-N 0 1 446.392 5.561 50 30 IKEAMN COc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O ZINC000019848356 556930175 /nfs/dbraw/zinc/93/01/75/556930175.db2.gz BDXYIDKTYMVVNB-QFIPXVFZSA-N 0 1 437.496 5.148 50 30 IKEAMN CCC(C)(C)[C@H]1CCc2sc3ncnc(NN=Cc4c(F)cccc4Cl)c3c2C1 ZINC000019924560 556944635 /nfs/dbraw/zinc/94/46/35/556944635.db2.gz PFEWZTWVQXTLCZ-VHAYKOJPSA-N 0 1 430.980 6.471 50 30 IKEAMN Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2cc(Br)ccc2O)cc1 ZINC000016920308 556973611 /nfs/dbraw/zinc/97/36/11/556973611.db2.gz ONAQJBBIODTJEW-LPYMAVHISA-N 0 1 445.338 5.015 50 30 IKEAMN CCCCCCC[C@](O)(c1ccc(OC)cc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000098048925 557047300 /nfs/dbraw/zinc/04/73/00/557047300.db2.gz BONCPNABCFPOTE-SVBPBHIXSA-N 0 1 425.613 5.359 50 30 IKEAMN COc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)c(OC)c2)c1 ZINC000009348149 557142883 /nfs/dbraw/zinc/14/28/83/557142883.db2.gz ZHPSZZSUZUNKQM-MFKUBSTISA-N 0 1 446.532 5.086 50 30 IKEAMN CCCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)S/C1=N/c1ccc(OC)cc1 ZINC000097466916 557218899 /nfs/dbraw/zinc/21/88/99/557218899.db2.gz WEIVKJJCZYEXGE-PQUPTFKKSA-N 0 1 437.348 5.722 50 30 IKEAMN Cc1ncc(CSc2ccccc2/N=C/c2cc(Cl)cc(Cl)c2O)c(CO)c1O ZINC000100065893 557239220 /nfs/dbraw/zinc/23/92/20/557239220.db2.gz ZLSLKKKKVPNPDP-ZNLRHDTNSA-N 0 1 449.359 5.643 50 30 IKEAMN O=c1[nH][nH]c2c1[C@@H](c1cc(Cl)cc(Cl)c1O)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018196357 557247985 /nfs/dbraw/zinc/24/79/85/557247985.db2.gz SBOCGPAZOOCTHW-AYVTZFPOSA-N 0 1 448.331 5.147 50 30 IKEAMN O=c1[nH][nH]c2c1[C@@H](c1cc(Cl)cc(Cl)c1O)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018196361 557248325 /nfs/dbraw/zinc/24/83/25/557248325.db2.gz SBOCGPAZOOCTHW-GLEZIHRCSA-N 0 1 448.331 5.147 50 30 IKEAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]nc(C)c2[C@@H]3c2ccccc2Cl)cc1OC ZINC000018199313 557251189 /nfs/dbraw/zinc/25/11/89/557251189.db2.gz FGWIEEWJNLXGFK-WNSKOXEYSA-N 0 1 449.938 5.347 50 30 IKEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccccc2F)cc1 ZINC000100345971 557258072 /nfs/dbraw/zinc/25/80/72/557258072.db2.gz JUPPCYMDCKUKNV-VLSFKVKESA-N 0 1 429.447 5.017 50 30 IKEAMN Cc1cccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1C ZINC000100971574 557280029 /nfs/dbraw/zinc/28/00/29/557280029.db2.gz ZRCJIXRZXOCBDR-FPEJUQHSSA-N 0 1 429.545 5.468 50 30 IKEAMN Oc1c(Cl)cc(Br)cc1/C=N/c1cc(Cl)ccc1N1CCOCC1 ZINC000102424691 557301854 /nfs/dbraw/zinc/30/18/54/557301854.db2.gz NICBQMORWKJHTA-UFFVCSGVSA-N 0 1 430.129 5.049 50 30 IKEAMN Cc1ccc(N=NC(=NNc2ccc(C)cc2)c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100142876 557334257 /nfs/dbraw/zinc/33/42/57/557334257.db2.gz XKWBOQVHSLRVGV-HDMRNDRWSA-N 0 1 431.849 6.928 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000102528535 557354063 /nfs/dbraw/zinc/35/40/63/557354063.db2.gz ZWAAUTXRPQCQGQ-LFVOPCPISA-N 0 1 425.271 5.015 50 30 IKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102527980 557354132 /nfs/dbraw/zinc/35/41/32/557354132.db2.gz IEELTGDAKUDOCY-JBCNATCCSA-N 0 1 441.955 5.096 50 30 IKEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 ZINC000102619019 557359683 /nfs/dbraw/zinc/35/96/83/557359683.db2.gz ZEPFUZRFCKHNMF-JBCNATCCSA-N 0 1 437.854 5.114 50 30 IKEAMN O=C(c1cc2ccccc2o1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Cl)c1 ZINC000102752275 557383131 /nfs/dbraw/zinc/38/31/31/557383131.db2.gz OQOWORRFRKYSAD-MOBKVPTQSA-N 0 1 444.874 5.103 50 30 IKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccco3)sc2c1 ZINC000102802971 557385691 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430.891 6.210 50 30 IKEAMN Oc1c(Br)cc2oc3c(c2c1/C=N/c1ccc(Br)cc1)CCCC3 ZINC000002299258 569268541 /nfs/dbraw/zinc/26/85/41/569268541.db2.gz QQZLDQKXTABNPZ-LSHDLFTRSA-N 0 1 449.142 6.293 50 30 IKEAMN C(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1cccc(Oc2ccccc2)c1 ZINC000239222140 569268609 /nfs/dbraw/zinc/26/86/09/569268609.db2.gz ULCLEKMRWRWIDI-UHFFFAOYSA-N 0 1 445.566 6.200 50 30 IKEAMN CCCCC1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2C)C1=O ZINC000002307931 569271974 /nfs/dbraw/zinc/27/19/74/569271974.db2.gz XUIROGDAGSHYTR-JYAWBRCSSA-N 0 1 439.581 5.037 50 30 IKEAMN Cc1c(C)n(C(=O)CSc2nc(-c3cccc(Cl)c3)c(C#N)c(=O)[nH]2)c2ccccc12 ZINC000010059651 569299140 /nfs/dbraw/zinc/29/91/40/569299140.db2.gz QUJQHGKUGUOSMS-UHFFFAOYSA-N 0 1 448.935 5.378 50 30 IKEAMN CCc1ccc2oc(-c3cc(/N=C\c4cc(Br)ccc4O)ccc3O)nc2c1 ZINC000003032391 569437812 /nfs/dbraw/zinc/43/78/12/569437812.db2.gz AAORPRJURDFUNA-MSXFZWOLSA-N 0 1 437.293 5.982 50 30 IKEAMN CCCCCN(CCCCC)c1ccc(C=[NH+][N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 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435.936 5.505 50 30 IKEAMN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000009861357 569571994 /nfs/dbraw/zinc/57/19/94/569571994.db2.gz FNGFQLCUZHNXMT-SANMLTNESA-N 0 1 434.536 5.401 50 30 IKEAMN CCOC(=O)c1sc(/N=C/c2cc(Cl)cc(Cl)c2O)c(C(=O)OCC)c1C ZINC000009934825 569573733 /nfs/dbraw/zinc/57/37/33/569573733.db2.gz NFNFTBFWKYCEBV-ODCIPOBUSA-N 0 1 430.309 5.173 50 30 IKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000009969608 569576086 /nfs/dbraw/zinc/57/60/86/569576086.db2.gz SYGILBHLEIZYAT-JOCHJYFZSA-N 0 1 449.890 5.276 50 30 IKEAMN C(=NNc1nc2ccccc2s1)c1cn(CCCOc2ccccc2)c2ccccc12 ZINC000001839959 569582764 /nfs/dbraw/zinc/58/27/64/569582764.db2.gz KHXFVHBMLFENTE-YZSQISJMSA-N 0 1 426.545 6.166 50 30 IKEAMN Cc1ccc(OCCCn2cc(C=NNc3nc4ccccc4s3)c3ccccc32)cc1 ZINC000001866422 569584307 /nfs/dbraw/zinc/58/43/07/569584307.db2.gz LMXRLTCMULQZCL-WPWMEQJKSA-N 0 1 440.572 6.475 50 30 IKEAMN CCCCCCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1 ZINC000100730671 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C=CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C ZINC000036316271 518994330 /nfs/dbraw/zinc/99/43/30/518994330.db2.gz GXQOPMXYECINIJ-HSZRJFAPSA-N 0 1 449.595 5.001 50 30 IKEAMN C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2cccnc2)CC1 ZINC000015000475 519243541 /nfs/dbraw/zinc/24/35/41/519243541.db2.gz JDVAIWOFEPGIBY-UHFFFAOYSA-N 0 1 440.016 5.184 50 30 IKEAMN CC(C)C(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000012381903 519477313 /nfs/dbraw/zinc/47/73/13/519477313.db2.gz QMJDXUNAWVEDGN-BCHFMIIMSA-N 0 1 426.516 5.836 50 30 IKEAMN CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(N(C)C)cc1 ZINC000008818436 519584246 /nfs/dbraw/zinc/58/42/46/519584246.db2.gz KBIPPHDYJJXYAY-MHZLTWQESA-N 0 1 445.607 5.942 50 30 IKEAMN CC1(C)CC(=O)C2=C(C1)Nc1cc(-c3ccccc3)nn1[C@@H]2c1ccc(Br)cc1 ZINC000021658674 520260498 /nfs/dbraw/zinc/26/04/98/520260498.db2.gz QOFOVDHFAAHVSP-HSZRJFAPSA-N 0 1 448.364 5.971 50 30 IKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)C(F)(F)F)[C@H]2c2ccc(F)cc2)C1 ZINC000009044078 520260574 /nfs/dbraw/zinc/26/05/74/520260574.db2.gz GXCUYFSLMHNBHP-FQEVSTJZSA-N 0 1 432.417 5.531 50 30 IKEAMN CC1(C)CC(=O)C2=C(C1)Nc1cc(-c3ccc(Cl)cc3)nn1[C@@H]2c1ccc(Cl)cc1 ZINC000021658642 520260656 /nfs/dbraw/zinc/26/06/56/520260656.db2.gz MLWIDVCSXXXLDW-HSZRJFAPSA-N 0 1 438.358 6.515 50 30 IKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NC[C@@H]3CCCO3)[C@@H]2c2ccccc2)C1 ZINC000021722103 520262114 /nfs/dbraw/zinc/26/21/14/520262114.db2.gz CTZAQFNJTNQTIO-UQBPGWFLSA-N 0 1 445.563 5.192 50 30 IKEAMN CCCCCSc1nc2n(n1)[C@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000020850885 520273971 /nfs/dbraw/zinc/27/39/71/520273971.db2.gz MUZOMRLUYQAWSG-LJQANCHMSA-N 0 1 431.005 5.872 50 30 IKEAMN CCCC[N@@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc(Br)ccc1OC)O2 ZINC000013655026 520416733 /nfs/dbraw/zinc/41/67/33/520416733.db2.gz SNSAQKHQFIFODM-NDENLUEZSA-N 0 1 446.341 5.011 50 30 IKEAMN CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1c(C)n[nH]c1C ZINC000013286186 520555031 /nfs/dbraw/zinc/55/50/31/520555031.db2.gz JACGFSGWKKACCZ-MGXYOJEMSA-N 0 1 448.017 5.454 50 30 IKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000000702366 520877773 /nfs/dbraw/zinc/87/77/73/520877773.db2.gz SFXMYOXEFIRAGI-VWLOTQADSA-N 0 1 441.527 5.215 50 30 IKEAMN CCCCC1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000036093498 521117639 /nfs/dbraw/zinc/11/76/39/521117639.db2.gz ZPBMBACIKDGMLR-KVZWLNNISA-N 0 1 429.973 5.373 50 30 IKEAMN CCCC1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O ZINC000013582832 521256282 /nfs/dbraw/zinc/25/62/82/521256282.db2.gz NVHYTASQZUFVJY-LXYRJJAWSA-N 0 1 444.398 5.392 50 30 IKEAMN CCC(C)(C)[C@H]1CCc2sc3[nH]cnc(=NN=Cc4c(Cl)cccc4Cl)c3c2C1 ZINC000012561337 521366688 /nfs/dbraw/zinc/36/66/88/521366688.db2.gz ZMUWKRLESJFUPP-VHAYKOJPSA-N 0 1 447.435 6.985 50 30 IKEAMN COc1ccc(-c2cc3n(n2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000021658645 523122998 /nfs/dbraw/zinc/12/29/98/523122998.db2.gz XNTUUJSWAIEBTQ-XMMPIXPASA-N 0 1 433.939 5.870 50 30 IKEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OC)c(OCc3ccccc3)c2)cc1 ZINC000002352775 523172540 /nfs/dbraw/zinc/17/25/40/523172540.db2.gz PXBFEAZUEIFSCE-MFKUBSTISA-N 0 1 446.532 5.086 50 30 IKEAMN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@@H+](C)Cc3ccccc3)C2=O)c2ccccc21 ZINC000020648521 523304696 /nfs/dbraw/zinc/30/46/96/523304696.db2.gz FKXGRIWUNAQTNC-CVKSISIWSA-N 0 1 438.527 5.615 50 30 IKEAMN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@H+]3CCC[C@H](C)C3)C2=O)c2cc(OC)ccc21 ZINC000020649674 523305157 /nfs/dbraw/zinc/30/51/57/523305157.db2.gz CYWOHMRXGGESRQ-BIXBROTJSA-N 0 1 446.547 5.224 50 30 IKEAMN CCC1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000013617241 523421910 /nfs/dbraw/zinc/42/19/10/523421910.db2.gz HUHMPQIMRFPRLA-BUMUASTJSA-N 0 1 447.560 5.101 50 30 IKEAMN C[C@@H]1CCCC[N@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 ZINC000020646951 524115658 /nfs/dbraw/zinc/11/56/58/524115658.db2.gz WUEDDSYVZIQZJQ-FDRCZSESSA-N 0 1 425.528 6.050 50 30 IKEAMN Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3cc(Cl)cc(Br)c3O)S2)c1 ZINC000027520694 524359681 /nfs/dbraw/zinc/35/96/81/524359681.db2.gz KBXCPNGSWKXTCB-CHHVJCJISA-N 0 1 437.746 5.317 50 30 IKEAMN COc1ccccc1NC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1cccs1 ZINC000021722360 524612382 /nfs/dbraw/zinc/61/23/82/524612382.db2.gz NUGJZDQWIIMPQF-XMMPIXPASA-N 0 1 445.544 5.969 50 30 IKEAMN Cc1ccccc1CSc1nc2n(n1)[C@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000020850061 525187615 /nfs/dbraw/zinc/18/76/15/525187615.db2.gz DNIAJIIBCUUTBY-HXUWFJFHSA-N 0 1 436.606 5.598 50 30 IKEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000008892354 525221965 /nfs/dbraw/zinc/22/19/65/525221965.db2.gz GNKVJRZBFROKGL-OAQYLSRUSA-N 0 1 437.854 5.271 50 30 IKEAMN Cc1cc([O-])c(C[N@@H+](C)Cc2ccccc2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020649337 525312343 /nfs/dbraw/zinc/31/23/43/525312343.db2.gz VIUPTGSGSRJIOU-OYKKKHCWSA-N 0 1 425.484 5.695 50 30 IKEAMN Cc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(=S)[nH]nc2-c2ccncc2)cc1 ZINC000013658317 525839483 /nfs/dbraw/zinc/83/94/83/525839483.db2.gz LLCAFOHVAONHIC-CVKSISIWSA-N 0 1 437.532 5.046 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000022135376 526270828 /nfs/dbraw/zinc/27/08/28/526270828.db2.gz CQFWDBFXSUJVMU-LJQANCHMSA-N 0 1 425.271 5.171 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1Cl ZINC000012689188 526271551 /nfs/dbraw/zinc/27/15/51/526271551.db2.gz HBKUQAPSXBYYDG-MRXNPFEDSA-N 0 1 431.300 5.233 50 30 IKEAMN O=C(C1CCCCC1)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000012652123 526300091 /nfs/dbraw/zinc/30/00/91/526300091.db2.gz BGINIRZEPREMEX-VWLOTQADSA-N 0 1 434.967 6.427 50 30 IKEAMN Oc1c(Br)cc(Br)cc1/C=N\c1ccc(-c2ccccc2)cc1 ZINC000001881129 526323793 /nfs/dbraw/zinc/32/37/93/526323793.db2.gz MXNZTPXOSIYLBG-UUYOSTAYSA-N 0 1 431.127 6.335 50 30 IKEAMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1cc(Br)cc(Cl)c1O ZINC000009805338 527328251 /nfs/dbraw/zinc/32/82/51/527328251.db2.gz BQKVPNODWHEEJH-CGOBSMCZSA-N 0 1 438.587 5.181 50 30 IKEAMN O=C(COc1cc(Cl)ccc1Cl)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000012784193 527587784 /nfs/dbraw/zinc/58/77/84/527587784.db2.gz GIDOCHYAAIWRIR-UHFFFAOYSA-N 0 1 442.100 5.208 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000000668291 555529913 /nfs/dbraw/zinc/52/99/13/555529913.db2.gz SSFNBGIQQXYZPA-SANMLTNESA-N 0 1 432.564 6.027 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccccc1O[C@@H](C)CC ZINC000000671960 555531673 /nfs/dbraw/zinc/53/16/73/555531673.db2.gz BELHMXOTTYPSEN-MYUZEXMDSA-N 0 1 446.591 6.417 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000000688808 555541298 /nfs/dbraw/zinc/54/12/98/555541298.db2.gz RBSIDMDQXNRZGZ-HSZRJFAPSA-N 0 1 442.481 6.258 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(C)o1 ZINC000000872435 555575575 /nfs/dbraw/zinc/57/55/75/555575575.db2.gz IGNKQYZXOGECOQ-PPHZAIPVSA-N 0 1 426.516 5.899 50 30 IKEAMN Cn1cccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2ccccc2N1C(=O)c1ccccc1 ZINC000001084148 555626287 /nfs/dbraw/zinc/62/62/87/555626287.db2.gz IASDRNVNEONLOG-VWLOTQADSA-N 0 1 425.532 5.482 50 30 IKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)C(F)(F)F)[C@@H]2c2cccc(O)c2)C1 ZINC000001197097 555677288 /nfs/dbraw/zinc/67/72/88/555677288.db2.gz AGZTXHSFHYTNJZ-HXUWFJFHSA-N 0 1 430.426 5.098 50 30 IKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)C(F)(F)F)[C@H]2c2cccc(O)c2)C1 ZINC000001197099 555677302 /nfs/dbraw/zinc/67/73/02/555677302.db2.gz AGZTXHSFHYTNJZ-FQEVSTJZSA-N 0 1 430.426 5.098 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001199627 555677939 /nfs/dbraw/zinc/67/79/39/555677939.db2.gz OORWVNVDYBEJOM-IBGZPJMESA-N 0 1 425.271 5.171 50 30 IKEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000001204416 555680026 /nfs/dbraw/zinc/68/00/26/555680026.db2.gz LMWOXDKLWIKHDC-NRESZANFSA-N 0 1 429.447 5.017 50 30 IKEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccs1 ZINC000001413463 555694693 /nfs/dbraw/zinc/69/46/93/555694693.db2.gz DEQPEHJGLWNOEA-JOCHJYFZSA-N 0 1 446.503 5.190 50 30 IKEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccccc1 ZINC000001414732 555694927 /nfs/dbraw/zinc/69/49/27/555694927.db2.gz MVMVOLLSAFLFRI-XMMPIXPASA-N 0 1 440.474 5.128 50 30 IKEAMN Cc1cccc(-c2nc3cc(/N=C/c4cc(Br)cc(Cl)c4O)ccc3o2)c1 ZINC000001922757 555725101 /nfs/dbraw/zinc/72/51/01/555725101.db2.gz XSOZUUFKHMAMRR-BHGWPJFGSA-N 0 1 441.712 6.675 50 30 IKEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2c3ccccc3cc3ccccc32)cc1OC ZINC000002356526 555771653 /nfs/dbraw/zinc/77/16/53/555771653.db2.gz BPUQSUQNPDXIQL-CVKSISIWSA-N 0 1 440.528 5.813 50 30 IKEAMN Clc1ccc(COc2ccc(C=NN=c3[nH]c4ccccc4s3)cc2)c(Cl)c1 ZINC000004109503 555963423 /nfs/dbraw/zinc/96/34/23/555963423.db2.gz YRILAAGUUZKFFU-WYMPLXKRSA-N 0 1 428.344 6.628 50 30 IKEAMN Clc1ccc(Cn2cc(C=NN=c3[nH]c4ccccc4[nH]3)c3ccccc32)cc1Cl ZINC000004108632 555963467 /nfs/dbraw/zinc/96/34/67/555963467.db2.gz BOQXFCVTCKUCLB-RPPGKUMJSA-N 0 1 434.330 6.319 50 30 IKEAMN Oc1c(Cl)cc(Cl)cc1CN=Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000008384742 556160597 /nfs/dbraw/zinc/16/05/97/556160597.db2.gz CYIIRMAPQJFOFV-AERZKKPOSA-N 0 1 433.147 6.575 50 30 IKEAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccccc1OC ZINC000008443861 556178660 /nfs/dbraw/zinc/17/86/60/556178660.db2.gz CXNLWRAUFBFSFO-MHZLTWQESA-N 0 1 446.591 6.419 50 30 IKEAMN N=C(C=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NOC(=O)C=Cc1ccccc1 ZINC000008616494 556192580 /nfs/dbraw/zinc/19/25/80/556192580.db2.gz GIGPKEDHIRTCTB-CDJQDVQCSA-N 0 1 428.332 5.266 50 30 IKEAMN O=[N+]([O-])c1ccc(C=NN=c2nc(-c3ccccc3)c3cc(Br)ccc3[nH]2)o1 ZINC000008670709 556198336 /nfs/dbraw/zinc/19/83/36/556198336.db2.gz AMFHUDPQIPHXIT-SRZZPIQSSA-N 0 1 438.241 5.007 50 30 IKEAMN CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000008741896 556207326 /nfs/dbraw/zinc/20/73/26/556207326.db2.gz FJNMRFSIFOTQDI-YMVPSHTBSA-N 0 1 443.528 5.054 50 30 IKEAMN CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000008741895 556207408 /nfs/dbraw/zinc/20/74/08/556207408.db2.gz FJNMRFSIFOTQDI-MCMRFMRISA-N 0 1 443.528 5.054 50 30 IKEAMN CCn1c2ccccc2c2cc(C=Nn3c(=S)[nH]nc3-c3ccc(OC)cc3)ccc21 ZINC000009015788 556241178 /nfs/dbraw/zinc/24/11/78/556241178.db2.gz GCMYYOBRGCTFPT-MFKUBSTISA-N 0 1 427.533 5.626 50 30 IKEAMN CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc2c(c1)OCO2 ZINC000009046068 556242806 /nfs/dbraw/zinc/24/28/06/556242806.db2.gz WEWIQWUUBJGZRD-AREMUKBSSA-N 0 1 446.547 5.749 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000009065408 556244471 /nfs/dbraw/zinc/24/44/71/556244471.db2.gz WYCYFJNWELPIOU-LJQANCHMSA-N 0 1 425.271 5.171 50 30 IKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000009065148 556244542 /nfs/dbraw/zinc/24/45/42/556244542.db2.gz RIUCOGLEHBNCHB-OAQYLSRUSA-N 0 1 427.928 5.078 50 30 IKEAMN COc1cc(-c2n[nH]c(=S)n2N=Cc2ccc(-c3ccccc3)cc2)cc(OC)c1OC ZINC000009088535 556245862 /nfs/dbraw/zinc/24/58/62/556245862.db2.gz NEGFPUAOZJOOMU-MFKUBSTISA-N 0 1 446.532 5.183 50 30 IKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)sc1C ZINC000009184906 556250595 /nfs/dbraw/zinc/25/05/95/556250595.db2.gz HFIPUAZTFXUPLH-SFHVURJKSA-N 0 1 442.899 5.335 50 30 IKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(OC)cc1 ZINC000009191629 556254119 /nfs/dbraw/zinc/25/41/19/556254119.db2.gz QZJAJWSFAMOGSR-CLYVBNDRSA-N 0 1 442.515 5.599 50 30 IKEAMN O=C(Nc1ccc(Cl)cc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1 ZINC000009264175 556270196 /nfs/dbraw/zinc/27/01/96/556270196.db2.gz JPBLRQVNZTYZAI-VWLOTQADSA-N 0 1 443.934 6.552 50 30 IKEAMN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1cc(Br)cc(Cl)c1O ZINC000009296696 556275488 /nfs/dbraw/zinc/27/54/88/556275488.db2.gz FWBZKGLQKZGAAX-AWNIVKPZSA-N 0 1 444.137 5.353 50 30 IKEAMN Clc1ccc(COc2cccc(C=NN=c3[nH]c4ccccc4s3)c2)c(Cl)c1 ZINC000009296486 556275547 /nfs/dbraw/zinc/27/55/47/556275547.db2.gz HTVOUBMYUBSZKI-WYMPLXKRSA-N 0 1 428.344 6.628 50 30 IKEAMN Cc1cc2c(cc1C)N[C@H](c1cc(Cl)cc(Cl)c1O)C1=C(CC(C)(C)CC1=O)N2 ZINC000009462659 556293199 /nfs/dbraw/zinc/29/31/99/556293199.db2.gz NXGKLYDNEOFGNI-OAQYLSRUSA-N 0 1 431.363 6.538 50 30 IKEAMN COc1cccc(C=NNc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)c1O ZINC000013757076 556300715 /nfs/dbraw/zinc/30/07/15/556300715.db2.gz JHPNMJNLVLGJJQ-BRJLIKDPSA-N 0 1 439.302 5.764 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000009763879 556308642 /nfs/dbraw/zinc/30/86/42/556308642.db2.gz DYCLQCJUNQRXSY-LJQANCHMSA-N 0 1 425.271 5.171 50 30 IKEAMN CC(C)C(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000009861336 556314972 /nfs/dbraw/zinc/31/49/72/556314972.db2.gz CXRNYWZRPIVGDD-QFIPXVFZSA-N 0 1 429.347 6.156 50 30 IKEAMN Oc1c(Cl)cc(Cl)cc1CN=Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000009925846 556316677 /nfs/dbraw/zinc/31/66/77/556316677.db2.gz ZIZBUVBXOYLFAM-IFRROFPPSA-N 0 1 443.153 6.031 50 30 IKEAMN C=CCc1ccccc1OCCOc1cccc(C=NN=c2[nH]c3ccccc3s2)c1 ZINC000013895570 556328905 /nfs/dbraw/zinc/32/89/05/556328905.db2.gz YWHSNVZSSNRRRL-NLRVBDNBSA-N 0 1 429.545 5.929 50 30 IKEAMN C=CCc1ccccc1OCCOc1cccc(C=[NH+][N-]c2nc3ccccc3s2)c1 ZINC000013895570 556328909 /nfs/dbraw/zinc/32/89/09/556328909.db2.gz YWHSNVZSSNRRRL-NLRVBDNBSA-N 0 1 429.545 5.929 50 30 IKEAMN N#Cc1nc(COc2ccc(Cl)cc2)oc1NC[C@H](c1ccccc1)N1CCCCC1 ZINC000032624555 556411474 /nfs/dbraw/zinc/41/14/74/556411474.db2.gz GXFMLLNYWNJWAA-JOCHJYFZSA-N 0 1 436.943 5.418 50 30 IKEAMN Fc1ccccc1COc1ccc2ccccc2c1C=NNc1nc2ccccc2s1 ZINC000015228169 556512793 /nfs/dbraw/zinc/51/27/93/556512793.db2.gz KNEUQBUYLQHHTB-JFLMPSFJSA-N 0 1 427.504 6.614 50 30 IKEAMN Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000003085179 556518918 /nfs/dbraw/zinc/51/89/18/556518918.db2.gz LZSQDTJOSLJIRP-YSURURNPSA-N 0 1 445.675 6.506 50 30 IKEAMN O=C(NC1=C(Nc2cccc(Cl)c2)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000015906438 556562853 /nfs/dbraw/zinc/56/28/53/556562853.db2.gz LFGLGDXFZNQJJW-UHFFFAOYSA-N 0 1 437.282 5.126 50 30 IKEAMN Fc1ccccc1C=NNc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1 ZINC000016512906 556613285 /nfs/dbraw/zinc/61/32/85/556613285.db2.gz HPNVEXWALREWGL-CVKSISIWSA-N 0 1 447.311 6.158 50 30 IKEAMN COc1cccc(C=NNc2nc(-c3ccc(Br)cc3)nc3ccccc32)c1O ZINC000016677509 556622600 /nfs/dbraw/zinc/62/26/00/556622600.db2.gz WVKQRYMYZNUABO-ZMOGYAJESA-N 0 1 449.308 5.220 50 30 IKEAMN CCN(CC)c1ccc(C=[NH+][N-]c2nc(-c3ccc(Cl)cc3)c(NC(C)=O)s2)cc1 ZINC000016734732 556632701 /nfs/dbraw/zinc/63/27/01/556632701.db2.gz BCBLXOUOZPQAGX-ZVHZXABRSA-N 0 1 441.988 5.714 50 30 IKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000016741365 556635099 /nfs/dbraw/zinc/63/50/99/556635099.db2.gz UQXFYDZYUFUNOG-XMMPIXPASA-N 0 1 431.532 5.448 50 30 IKEAMN CCC(=O)Nc1nc2c(cc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2C)s1 ZINC000033007721 556656417 /nfs/dbraw/zinc/65/64/17/556656417.db2.gz JTXWSMUWDDFXFK-UHFFFAOYSA-N 0 1 439.946 5.066 50 30 IKEAMN CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000017163330 556670808 /nfs/dbraw/zinc/67/08/08/556670808.db2.gz WIELBMCPGVDHMH-VWLOTQADSA-N 0 1 436.983 6.529 50 30 IKEAMN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@@H]3c3ccco3)C2)cc1 ZINC000017992911 556681284 /nfs/dbraw/zinc/68/12/84/556681284.db2.gz BFVILGZACDUFHH-NFQMXDRXSA-N 0 1 438.527 5.899 50 30 IKEAMN COc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000018323446 556689345 /nfs/dbraw/zinc/68/93/45/556689345.db2.gz MPDSXYRJWFCSBN-WXTAPIANSA-N 0 1 428.488 5.209 50 30 IKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000018285619 556689374 /nfs/dbraw/zinc/68/93/74/556689374.db2.gz BXNREIQYHKIHTL-NGOKVRLYSA-N 0 1 440.518 6.136 50 30 IKEAMN Cc1cccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(Br)c4O)c3)nc21 ZINC000003115311 556692233 /nfs/dbraw/zinc/69/22/33/556692233.db2.gz HJPCHVIBVAWJNF-BHGWPJFGSA-N 0 1 441.712 6.675 50 30 IKEAMN C(=N/N1CCN(Cc2cccc3ccccc32)CC1)\c1ccc(OCc2ccccc2)cc1 ZINC000019773288 556913419 /nfs/dbraw/zinc/91/34/19/556913419.db2.gz FLBIGQDCIHPLRM-MWAVMZGNSA-N 0 1 435.571 5.571 50 30 IKEAMN S=c1[nH]nc(-c2ccccc2Br)n1N=Cc1c(Cl)cccc1Cl ZINC000019861035 556933358 /nfs/dbraw/zinc/93/33/58/556933358.db2.gz KXNUKECSZCNREF-UFWORHAWSA-N 0 1 428.142 5.559 50 30 IKEAMN Cc1nn(-c2ccccc2)c(C)c1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000019867284 556934617 /nfs/dbraw/zinc/93/46/17/556934617.db2.gz ILHIFKKJWXBAAR-TWKHWXDSSA-N 0 1 447.586 5.211 50 30 IKEAMN COc1ccc(Cl)cc1/C(O)=N/c1c(=O)oc2ccccc2c1NCc1ccccc1 ZINC000020258462 557003758 /nfs/dbraw/zinc/00/37/58/557003758.db2.gz MQPYEUHMPAYGDP-UHFFFAOYSA-N 0 1 434.879 5.703 50 30 IKEAMN C[C@@H]1CN(c2ccc(/C=N/c3ccc(O)c(-c4nc5ccccc5s4)c3)o2)C[C@H](C)O1 ZINC000017247409 557042009 /nfs/dbraw/zinc/04/20/09/557042009.db2.gz WWXYEDMQPPLPMT-QKPQDPNESA-N 0 1 433.533 5.626 50 30 IKEAMN CCOC(=O)c1c2c(sc1NC(=Nc1ccc(OCC)cc1)c1ccccc1)CCCC2 ZINC000017481323 557090880 /nfs/dbraw/zinc/09/08/80/557090880.db2.gz DGRHWTMGGBLHKU-UHFFFAOYSA-N 0 1 448.588 6.393 50 30 IKEAMN C=CCn1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c2ccccc21 ZINC000033334430 557118564 /nfs/dbraw/zinc/11/85/64/557118564.db2.gz BOBBLDBVTUEVLO-ATVHPVEESA-N 0 1 435.936 5.461 50 30 IKEAMN O=C(Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1)c1cc2ccccc2o1 ZINC000098086860 557123008 /nfs/dbraw/zinc/12/30/08/557123008.db2.gz LEWFXHAVEGPWDO-BRJLIKDPSA-N 0 1 425.271 6.448 50 30 IKEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2F)cc1OCc1ccccc1 ZINC000009013037 557130836 /nfs/dbraw/zinc/13/08/36/557130836.db2.gz UGZXJZILJIUWDW-AFUMVMLFSA-N 0 1 434.496 5.217 50 30 IKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009041176 557133089 /nfs/dbraw/zinc/13/30/89/557133089.db2.gz DYQWWXXDCPZJAQ-QHCPKHFHSA-N 0 1 431.488 5.190 50 30 IKEAMN O=C(c1ccco1)N1CCN(c2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2)CC1 ZINC000100056820 557219214 /nfs/dbraw/zinc/21/92/14/557219214.db2.gz NBVPADIKQMJPEO-AFUMVMLFSA-N 0 1 444.318 5.005 50 30 IKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1F ZINC000026458892 557241634 /nfs/dbraw/zinc/24/16/34/557241634.db2.gz ZVGPQTYFCIDOCY-QHCPKHFHSA-N 0 1 449.478 5.329 50 30 IKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@H]1c1cccc(F)c1 ZINC000018156947 557244573 /nfs/dbraw/zinc/24/45/73/557244573.db2.gz VUXPEMRNQDGDKF-LYZGTLIUSA-N 0 1 440.518 6.055 50 30 IKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@H]1c1cccc(F)c1 ZINC000018166734 557245293 /nfs/dbraw/zinc/24/52/93/557245293.db2.gz VUXPEMRNQDGDKF-RBTNQOKQSA-N 0 1 440.518 6.055 50 30 IKEAMN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c[nH]c2ccccc21 ZINC000018285124 557255865 /nfs/dbraw/zinc/25/58/65/557255865.db2.gz XTDJTDQSFSJBQM-MHZLTWQESA-N 0 1 441.575 6.357 50 30 IKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1cccc(Br)c1 ZINC000100454401 557261759 /nfs/dbraw/zinc/26/17/59/557261759.db2.gz KAKDXCHSIBMPGM-REZTVBANSA-N 0 1 433.925 5.430 50 30 IKEAMN CC1(C)CC(=O)C2=C(C1)Nc1c(NC(=O)c3ccccc3)cnn1[C@H]2c1ccc(Cl)cc1 ZINC000027562067 557265411 /nfs/dbraw/zinc/26/54/11/557265411.db2.gz LEPOKOHCWPBDRU-QFIPXVFZSA-N 0 1 446.938 5.447 50 30 IKEAMN Oc1c(Cl)cc(Br)cc1/C=N/c1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000000826444 557270684 /nfs/dbraw/zinc/27/06/84/557270684.db2.gz UFEFEBAAPJACKN-FOKLQQMPSA-N 0 1 426.701 6.102 50 30 IKEAMN CCCCCCCOc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(C)cc1 ZINC000102136845 557313305 /nfs/dbraw/zinc/31/33/05/557313305.db2.gz JRWHJVBJPMAUGZ-JOCHJYFZSA-N 0 1 437.565 5.326 50 30 IKEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102368764 557318393 /nfs/dbraw/zinc/31/83/93/557318393.db2.gz LPVSOYZFSIQTAP-HOGKFDNTSA-N 0 1 448.906 5.149 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000102609357 557360687 /nfs/dbraw/zinc/36/06/87/557360687.db2.gz NBJGHJSMIDKCJL-YDJIHCHBSA-N 0 1 441.380 5.471 50 30 IKEAMN CCCCCCOc1ccc(/C=N/N=C2\NC(=O)C(Cc3ccc(CC)cc3)S2)cc1 ZINC000011690582 557369776 /nfs/dbraw/zinc/36/97/76/557369776.db2.gz HOBDPAANGFGAPM-ZCBHOAFYSA-N 0 1 437.609 5.372 50 30 IKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(Cl)c2)no1 ZINC000102727301 557370266 /nfs/dbraw/zinc/37/02/66/557370266.db2.gz JEOOHVQHZYKLPK-YDJIHCHBSA-N 0 1 434.835 5.009 50 30 IKEAMN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1 ZINC000102803353 557385566 /nfs/dbraw/zinc/38/55/66/557385566.db2.gz MVZFIDBCXKXFHX-SELCWUDQSA-N 0 1 436.876 5.169 50 30 IKEAMN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@@H]1c1nc3ccccc3s1)CCCC2 ZINC000023936706 557387692 /nfs/dbraw/zinc/38/76/92/557387692.db2.gz BZDWQMCXJSGQTG-GOSISDBHSA-N 0 1 436.606 5.274 50 30 IKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000102799929 557390222 /nfs/dbraw/zinc/39/02/22/557390222.db2.gz DAAUOTKSHYACPX-NHFXJNLRSA-N 0 1 442.353 5.451 50 30 IKEAMN COc1ccc(/N=C2\[C@H](N3CCCCC3)C3(CCCCC3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000033435839 557398275 /nfs/dbraw/zinc/39/82/75/557398275.db2.gz XDCJEFXHDHXMHZ-XLPMDEKGSA-N 0 1 445.607 5.885 50 30 IKEAMN COc1ccc(/N=C2\[C@@H](N3CCCC3)C3(CCCCC3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000033435816 557398374 /nfs/dbraw/zinc/39/83/74/557398374.db2.gz YCXREHIUXQNIAX-CZSVHLHGSA-N 0 1 431.580 5.495 50 30 IKEAMN Oc1c(I)cc2oc3c(c2c1/C=N\C1CCCCCC1)CCCC3 ZINC000100460547 557404384 /nfs/dbraw/zinc/40/43/84/557404384.db2.gz GRBFZNXJOWEFAS-UUYOSTAYSA-N 0 1 437.321 5.764 50 30 IKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)sc1C ZINC000102882000 557408047 /nfs/dbraw/zinc/40/80/47/557408047.db2.gz ZJTZTVJBQOBHSS-SELCWUDQSA-N 0 1 442.899 5.179 50 30 IKEAMN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(F)cc1)C1=C(CC(c3ccccc3)=CC1=O)N2 ZINC000102931311 557412792 /nfs/dbraw/zinc/41/27/92/557412792.db2.gz DAZPGYPCGSSAIF-HHHXNRCGSA-N 0 1 447.513 6.188 50 30 IKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102931307 557412799 /nfs/dbraw/zinc/41/27/99/557412799.db2.gz DDOKQZLYLWWRCT-AYWGPLOBSA-N 0 1 445.515 5.208 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000102930640 557413880 /nfs/dbraw/zinc/41/38/80/557413880.db2.gz DNOPMMFDKDKMMA-YDJIHCHBSA-N 0 1 425.818 5.245 50 30 IKEAMN CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc2c(c1)OCO2 ZINC000000854103 557831035 /nfs/dbraw/zinc/83/10/35/557831035.db2.gz BYIRBTICBVTIIR-XMMPIXPASA-N 0 1 432.520 5.214 50 30 biogenic IKEAMN COC(=O)c1ccccc1/N=C/c1c2c(cc(Br)c1O)oc1c2CCCC1 ZINC000000971163 562919823 /nfs/dbraw/zinc/91/98/23/562919823.db2.gz XYTKZEBKUIEVCH-FOKLQQMPSA-N 0 1 428.282 5.317 50 30 IKEAMN CCCCc1ccc(NC(=O)CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)c(C)c1 ZINC000008647806 562960147 /nfs/dbraw/zinc/96/01/47/562960147.db2.gz GBDKYZQJONYDPW-UHFFFAOYSA-N 0 1 438.597 5.071 50 30 IKEAMN Cc1ccc(/N=C/c2cc(Br)cc(I)c2O)c(C)c1 ZINC000001058664 568655364 /nfs/dbraw/zinc/65/53/64/568655364.db2.gz FCDVGNSNPXXYGR-QGMBQPNBSA-N 0 1 430.083 5.127 50 30 IKEAMN COc1ccccc1/N=C/c1c(O)c(C(=O)Nc2ccccc2OC)cc2ccccc21 ZINC000001229500 568755043 /nfs/dbraw/zinc/75/50/43/568755043.db2.gz KEGFHTCSYGMFGV-JVWAILMASA-N 0 1 426.472 5.566 50 30 IKEAMN CCOC(=O)c1ccc(/N=C/c2c3c(cc(Br)c2O)oc2c3CCCC2)cc1 ZINC000001240580 568774498 /nfs/dbraw/zinc/77/44/98/568774498.db2.gz MVWWARRUEKVQGD-WYMPLXKRSA-N 0 1 442.309 5.707 50 30 IKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2)cc1F ZINC000016731117 568792505 /nfs/dbraw/zinc/79/25/05/568792505.db2.gz UTPRYMKBYHTWKB-FQEVSTJZSA-N 0 1 425.843 5.159 50 30 IKEAMN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@@H]3c3cccnc3)C2=O)cc1 ZINC000032501350 568811708 /nfs/dbraw/zinc/81/17/08/568811708.db2.gz NSPKOYAWBNWQTQ-UELZEPHDSA-N 0 1 442.515 5.139 50 30 IKEAMN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCCC[C@@H]3c3cccnc3)C2=O)cc1 ZINC000032501350 568811709 /nfs/dbraw/zinc/81/17/09/568811709.db2.gz NSPKOYAWBNWQTQ-UELZEPHDSA-N 0 1 442.515 5.139 50 30 IKEAMN Cc1cc(C)c(/N=C2\[C@H](N3CCCCC3)C3(CCCCC3)C(=O)N2c2ccccc2)c(C)c1 ZINC000015729255 568813490 /nfs/dbraw/zinc/81/34/90/568813490.db2.gz BYFFSGOEORCNAM-MMZFVREHSA-N 0 1 443.635 6.494 50 30 IKEAMN O=C(C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccccc1Cl ZINC000001793192 568908111 /nfs/dbraw/zinc/90/81/11/568908111.db2.gz IGBNYMXRBBOXEL-KHUIZHDGSA-N 0 1 435.936 5.505 50 30 IKEAMN CCCCCCCCCn1c2ccccc2nc1NCc1cc(Cl)cc(Cl)c1O ZINC000001830781 568915857 /nfs/dbraw/zinc/91/58/57/568915857.db2.gz KWARLTBCZKNLEF-UHFFFAOYSA-N 0 1 434.411 7.411 50 30 IKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(C(=O)Nc3cccc4ccccc43)c2)c1O ZINC000001959031 568924056 /nfs/dbraw/zinc/92/40/56/568924056.db2.gz IENSIEMRKBZNOK-CVKSISIWSA-N 0 1 441.443 5.465 50 30 IKEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(OC)cc4)nc3c2)c1O ZINC000016688216 568938577 /nfs/dbraw/zinc/93/85/77/568938577.db2.gz YGQVCLCQWLHMSB-ZMOGYAJESA-N 0 1 433.420 5.267 50 30 IKEAMN O=C(C[C@@H]1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2 ZINC000252593204 569192779 /nfs/dbraw/zinc/19/27/79/569192779.db2.gz BJKOPLOZQDQIOT-VWLOTQADSA-N 0 1 440.568 5.975 50 30 IKEAMN O=C(C[C@H]1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2 ZINC000252593152 569192806 /nfs/dbraw/zinc/19/28/06/569192806.db2.gz BJKOPLOZQDQIOT-RUZDIDTESA-N 0 1 440.568 5.975 50 30 IKEAMN CCc1ccc2oc(-c3cc(N=Cc4cc(Cc5ccccc5)ccc4O)ccc3O)nc2c1 ZINC000252610852 569197259 /nfs/dbraw/zinc/19/72/59/569197259.db2.gz IERBRKBZSYRANR-UHFFFAOYSA-N 0 1 448.522 6.810 50 30 IKEAMN Cc1ccccc1N=NC(C(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccccc1 ZINC000252621762 569201718 /nfs/dbraw/zinc/20/17/18/569201718.db2.gz NGFRSYJEESVIHS-UHFFFAOYSA-N 0 1 426.303 5.591 50 30 IKEAMN Cc1ccc(-c2nc3ncccc3o2)cc1N=Cc1cc(Cl)cc(Br)c1O ZINC000252623546 569202122 /nfs/dbraw/zinc/20/21/22/569202122.db2.gz OTRJOKXRSCXOLS-UHFFFAOYSA-N 0 1 442.700 6.070 50 30 IKEAMN Oc1c(Cl)cc(Cl)cc1C=Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F ZINC000252631820 569204592 /nfs/dbraw/zinc/20/45/92/569204592.db2.gz VMRBXAQNCGPVSW-UHFFFAOYSA-N 0 1 432.147 6.410 50 30 IKEAMN CCCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)SC1=Nc1ccc(OC)cc1 ZINC000252633578 569205887 /nfs/dbraw/zinc/20/58/87/569205887.db2.gz WEIVKJJCZYEXGE-HJTUMBPSSA-N 0 1 437.348 5.722 50 30 IKEAMN Cc1cccc(-c2nc3cc(N=Cc4cc(Br)cc(Cl)c4O)ccc3o2)c1 ZINC000252637390 569208219 /nfs/dbraw/zinc/20/82/19/569208219.db2.gz XSOZUUFKHMAMRR-UHFFFAOYSA-N 0 1 441.712 6.675 50 30 IKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000003066652 569213085 /nfs/dbraw/zinc/21/30/85/569213085.db2.gz ZFOWWLRIFKXTPI-YCPBAFNGSA-N 0 1 435.669 7.050 50 30 IKEAMN COc1ccc(/C=N/c2ccc(O)c(-c3nc4c(cccc4C)o3)c2)cc1Br ZINC000003114132 569213297 /nfs/dbraw/zinc/21/32/97/569213297.db2.gz LCODRZVHDHCSPM-WYMPLXKRSA-N 0 1 437.293 6.031 50 30 biogenic IKEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4cc(C)ccc4o3)c2C)c1O ZINC000027472019 569213971 /nfs/dbraw/zinc/21/39/71/569213971.db2.gz DEMVFNOLIIQRMV-DHRITJCHSA-N 0 1 431.448 5.875 50 30 IKEAMN CN1C[C@H](OC(=O)C=C2CCC(C)(C)CC2)C[C@H]1CNC(=O)C=C1CCC(C)(C)CC1 ZINC000328600538 569318099 /nfs/dbraw/zinc/31/80/99/569318099.db2.gz YLGNBQXAWREKFF-FCHUYYIVSA-N 0 1 430.633 5.612 50 30 IKEAMN COc1ccc([C@H]2c3c(n[nH]c3-c3ccc([N+](=O)[O-])cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000020134797 569335775 /nfs/dbraw/zinc/33/57/75/569335775.db2.gz GIHWLBZUBFIBJV-HXUWFJFHSA-N 0 1 444.491 5.194 50 30 IKEAMN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCCC[C@@H]3C)C2=O)c2cc(OC)ccc21 ZINC000028182792 569408719 /nfs/dbraw/zinc/40/87/19/569408719.db2.gz MMZUPYWJHZJXHG-GWGZVGKXSA-N 0 1 446.547 5.366 50 30 IKEAMN Oc1ccc(Br)cc1/C=N\c1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000002756268 569420442 /nfs/dbraw/zinc/42/04/42/569420442.db2.gz YHZIJWSHHNLTGE-RMORIDSASA-N 0 1 443.684 6.073 50 30 IKEAMN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000003425960 569450556 /nfs/dbraw/zinc/45/05/56/569450556.db2.gz QZPOJIVWTYMZEB-IBGZPJMESA-N 0 1 443.446 5.858 50 30 IKEAMN C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc21 ZINC000058502071 569455618 /nfs/dbraw/zinc/45/56/18/569455618.db2.gz VMOSPCSOWBEFCJ-HTASAFEOSA-N 0 1 428.532 5.038 50 30 IKEAMN COc1cccc(COc2ccc(Cl)cc2/N=C\c2cc(Cl)cc(Cl)c2O)c1 ZINC000003672349 569456112 /nfs/dbraw/zinc/45/61/12/569456112.db2.gz KJVJXNVYPDUQLS-GATIEOLUSA-N 0 1 436.722 6.691 50 30 IKEAMN Cc1ccc(NC(=Nn2c(Nc3ccc(C)cc3)n[nH]c2=S)Nc2ccc(C)cc2)cc1 ZINC000008385069 569462685 /nfs/dbraw/zinc/46/26/85/569462685.db2.gz SXZFKKQKVZNKBY-UHFFFAOYSA-N 0 1 443.580 5.953 50 30 IKEAMN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1 ZINC000008827761 569477676 /nfs/dbraw/zinc/47/76/76/569477676.db2.gz QSCBHLWORUNFBM-GOSISDBHSA-N 0 1 436.876 5.326 50 30 IKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000008915062 569485512 /nfs/dbraw/zinc/48/55/12/569485512.db2.gz DRUSWDWYHSPSDA-GOSISDBHSA-N 0 1 429.259 5.073 50 30 IKEAMN COc1ccccc1[C@H](CNc1oc(Cc2cccc3ccccc32)nc1C#N)N(C)C ZINC000008915849 569485617 /nfs/dbraw/zinc/48/56/17/569485617.db2.gz WWBOCEUHUVGZLM-QHCPKHFHSA-N 0 1 426.520 5.014 50 30 IKEAMN O=C(c1cccs1)C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1 ZINC000009046548 569498344 /nfs/dbraw/zinc/49/83/44/569498344.db2.gz MESAEETYMXDSTI-SFHVURJKSA-N 0 1 436.489 5.280 50 30 IKEAMN CCCCN(CCCC)c1nc2ccccc2nc1C(C#N)C(=O)NCCc1ccccc1 ZINC000009065458 569499662 /nfs/dbraw/zinc/49/96/62/569499662.db2.gz HXZCTARDRJIIEL-JOCHJYFZSA-N 0 1 443.595 5.002 50 30 IKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)sc1C ZINC000009069331 569500002 /nfs/dbraw/zinc/50/00/02/569500002.db2.gz ZSMVMWZZOMPXAK-GOSISDBHSA-N 0 1 442.899 5.335 50 30 IKEAMN CCOc1cccc(-c2n[nH]c(=S)n2N=Cc2cccc(OCc3ccccc3)c2)c1 ZINC000009109684 569501981 /nfs/dbraw/zinc/50/19/81/569501981.db2.gz BWYLRHXGUDXJJC-PCLIKHOPSA-N 0 1 430.533 5.468 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000009144940 569507414 /nfs/dbraw/zinc/50/74/14/569507414.db2.gz XNHVBEDLRGEMGZ-LJQANCHMSA-N 0 1 425.271 5.171 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000009240824 569514654 /nfs/dbraw/zinc/51/46/54/569514654.db2.gz RFTARDFVGPVSQP-HXUWFJFHSA-N 0 1 448.450 5.357 50 30 IKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@@H]1c1cccc(F)c1 ZINC000009270329 569517672 /nfs/dbraw/zinc/51/76/72/569517672.db2.gz VUXPEMRNQDGDKF-KMRXNPHXSA-N 0 1 440.518 6.055 50 30 IKEAMN O=C(C1CC1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccs1 ZINC000009272082 569517868 /nfs/dbraw/zinc/51/78/68/569517868.db2.gz ZHQYSJCZMJRFFK-NIYFSFCBSA-N 0 1 440.568 6.059 50 30 IKEAMN N#Cc1ccc(CN2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c(F)c1 ZINC000069877891 569522593 /nfs/dbraw/zinc/52/25/93/569522593.db2.gz NELWIZZHDWDQFN-RUZDIDTESA-N 0 1 434.559 5.386 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000009331650 569523051 /nfs/dbraw/zinc/52/30/51/569523051.db2.gz MYLZHQLBGNDDDQ-HXUWFJFHSA-N 0 1 441.380 5.627 50 30 IKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C)cc2)o1 ZINC000009334182 569523196 /nfs/dbraw/zinc/52/31/96/569523196.db2.gz RQOJFBYTQYKVCY-HXUWFJFHSA-N 0 1 448.475 5.428 50 30 IKEAMN Clc1ccc(-c2nc3ccccc3c(NN=Cc3ccc(Cl)cc3Cl)n2)cc1 ZINC000009348389 569524441 /nfs/dbraw/zinc/52/44/41/569524441.db2.gz XGAOTWILJFETRY-BRJLIKDPSA-N 0 1 427.722 6.703 50 30 IKEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 ZINC000009374028 569527087 /nfs/dbraw/zinc/52/70/87/569527087.db2.gz OHYCVEFUXLAKRX-OAQYLSRUSA-N 0 1 437.854 5.271 50 30 IKEAMN CCCC1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000009379647 569527689 /nfs/dbraw/zinc/52/76/89/569527689.db2.gz NRXWTULIFTWMEG-JGTLJEJISA-N 0 1 431.561 5.483 50 30 IKEAMN CCCC1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000009380175 569527808 /nfs/dbraw/zinc/52/78/08/569527808.db2.gz WCTKBMBMMXFNNY-AXLPEMCNSA-N 0 1 435.980 6.127 50 30 IKEAMN CCCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O ZINC000009424824 569533166 /nfs/dbraw/zinc/53/31/66/569533166.db2.gz FFUJAZBXOGCWLY-UIAIJNLVSA-N 0 1 431.561 5.483 50 30 IKEAMN CCCCC1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2)C1=O ZINC000009462285 569537207 /nfs/dbraw/zinc/53/72/07/569537207.db2.gz HNCZVNSWRRRRSL-UHNOWLQGSA-N 0 1 444.398 5.473 50 30 IKEAMN CCOc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000009540770 569545869 /nfs/dbraw/zinc/54/58/69/569545869.db2.gz QBVIKVKNAFUIKY-WVZPCHHUSA-N 0 1 425.484 5.268 50 30 IKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000009763869 569566742 /nfs/dbraw/zinc/56/67/42/569566742.db2.gz WHWOLKDIYFNIDC-QGZVFWFLSA-N 0 1 445.327 5.541 50 30 IKEAMN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000009861342 569571975 /nfs/dbraw/zinc/57/19/75/569571975.db2.gz VMKGWHZLRLLONO-XMMPIXPASA-N 0 1 443.374 6.691 50 30 IKEAMN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(OC)c(OC)c1 ZINC000009861358 569571996 /nfs/dbraw/zinc/57/19/96/569571996.db2.gz FNGFQLCUZHNXMT-AREMUKBSSA-N 0 1 434.536 5.401 50 30 IKEAMN CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000009969607 569576091 /nfs/dbraw/zinc/57/60/91/569576091.db2.gz DHZZBLSWDRXUME-QHCPKHFHSA-N 0 1 443.455 5.203 50 30 IKEAMN C(=NNc1nc2ccccc2s1)c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000001838758 569582746 /nfs/dbraw/zinc/58/27/46/569582746.db2.gz IKFALNIBCDDJDT-LQKURTRISA-N 0 1 432.552 6.899 50 30 IKEAMN C(=[NH+][N-]c1nc2ccccc2s1)c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000001838758 569582747 /nfs/dbraw/zinc/58/27/47/569582747.db2.gz IKFALNIBCDDJDT-LQKURTRISA-N 0 1 432.552 6.899 50 30 IKEAMN O=[N+]([O-])c1ccc(Cn2cc(C=NNc3nc4ccccc4s3)c3ccccc32)cc1 ZINC000001863679 569584239 /nfs/dbraw/zinc/58/42/39/569584239.db2.gz WUGAGDSCLUBIAR-ZMOGYAJESA-N 0 1 427.489 5.654 50 30 IKEAMN Cc1cccc(OCCn2cc(C=NNc3nc4ccccc4s3)c3ccccc32)c1 ZINC000001312136 569584464 /nfs/dbraw/zinc/58/44/64/569584464.db2.gz CRBBHMZATKZPNQ-WGOQTCKBSA-N 0 1 426.545 6.084 50 30 IKEAMN Clc1ccc(Cl)c(OCCn2cccc2C=NNc2nc3ccccc3s2)c1 ZINC000013749933 569585090 /nfs/dbraw/zinc/58/50/90/569585090.db2.gz XSTIGKACDKVNFP-YDZHTSKRSA-N 0 1 431.348 5.930 50 30 IKEAMN Brc1ccccc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000012467509 518224509 /nfs/dbraw/zinc/22/45/09/518224509.db2.gz OODAPYZVOYIJIK-YZSQISJMSA-N 0 1 432.365 5.171 50 30 IKEAMN C=CCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036304551 518712329 /nfs/dbraw/zinc/71/23/29/518712329.db2.gz NEVFBBFLVGRZEP-HSZRJFAPSA-N 0 1 449.595 5.521 50 30 IKEAMN C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036304493 518715119 /nfs/dbraw/zinc/71/51/19/518715119.db2.gz RTNKCNRXZROLDB-HSZRJFAPSA-N 0 1 447.579 5.273 50 30 IKEAMN C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1 ZINC000036304814 518725373 /nfs/dbraw/zinc/72/53/73/518725373.db2.gz TYSALGARHASBIA-DEOSSOPVSA-N 0 1 431.580 5.573 50 30 IKEAMN C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346300 518726087 /nfs/dbraw/zinc/72/60/87/518726087.db2.gz WAOLBZJAIINSAT-QHCPKHFHSA-N 0 1 437.559 5.650 50 30 IKEAMN CC(C)C(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccco1 ZINC000012381904 519476931 /nfs/dbraw/zinc/47/69/31/519476931.db2.gz QMJDXUNAWVEDGN-NIYFSFCBSA-N 0 1 426.516 5.836 50 30 IKEAMN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000006720431 519870451 /nfs/dbraw/zinc/87/04/51/519870451.db2.gz ZGGNOOHKJBNGBI-MHZLTWQESA-N 0 1 431.580 5.840 50 30 IKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NC3CCCC3)[C@@H]2c2ccc(F)cc2)C1 ZINC000021722166 520262392 /nfs/dbraw/zinc/26/23/92/520262392.db2.gz ZANWQEGAPSFBSQ-RUZDIDTESA-N 0 1 447.554 6.094 50 30 IKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NC3CCCC3)[C@@H]2c2ccccc2)C1 ZINC000021722087 520262834 /nfs/dbraw/zinc/26/28/34/520262834.db2.gz AAXDOSGNAXKKMX-RUZDIDTESA-N 0 1 429.564 5.955 50 30 IKEAMN CCCCN(CCCC)c1nc2ccccc2nc1C(C#N)C(=O)NCCc1ccccc1 ZINC000009065460 520499256 /nfs/dbraw/zinc/49/92/56/520499256.db2.gz HXZCTARDRJIIEL-QFIPXVFZSA-N 0 1 443.595 5.002 50 30 IKEAMN CCCC1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000051366954 520895318 /nfs/dbraw/zinc/89/53/18/520895318.db2.gz FMMOZPPXADXNAA-FAZMWWMKSA-N 0 1 448.361 5.222 50 30 IKEAMN CCCC1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O ZINC000009272294 520896732 /nfs/dbraw/zinc/89/67/32/520896732.db2.gz NVHYTASQZUFVJY-VOSQQLOXSA-N 0 1 444.398 5.392 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000018254418 521169226 /nfs/dbraw/zinc/16/92/26/521169226.db2.gz USRVMCCQMYGPRS-AREMUKBSSA-N 0 1 430.592 6.537 50 30 IKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000012648739 521169386 /nfs/dbraw/zinc/16/93/86/521169386.db2.gz YLNFDTSZCDVHIG-QUGAMOGWSA-N 0 1 446.934 6.244 50 30 IKEAMN CCOc1ccccc1NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000096179144 521533005 /nfs/dbraw/zinc/53/30/05/521533005.db2.gz LIPNXQLBCIZNOH-FPEJUQHSSA-N 0 1 445.544 5.250 50 30 IKEAMN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@H+]3CCCC[C@H]3C)C2=O)c2cc(OC)ccc21 ZINC000020649759 523304561 /nfs/dbraw/zinc/30/45/61/523304561.db2.gz MMZUPYWJHZJXHG-VEMXNMSTSA-N 0 1 446.547 5.366 50 30 IKEAMN C[N@@H+](Cc1ccccc1)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 ZINC000020625310 523343998 /nfs/dbraw/zinc/34/39/98/523343998.db2.gz KLJAKCYBBICKAM-JJFYIABZSA-N 0 1 440.326 5.947 50 30 IKEAMN CCC1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O ZINC000051366833 523421154 /nfs/dbraw/zinc/42/11/54/523421154.db2.gz OYEUKCYVXSYVKV-RCRZSSQQSA-N 0 1 430.371 5.002 50 30 IKEAMN CCC1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O ZINC000013618189 523607203 /nfs/dbraw/zinc/60/72/03/523607203.db2.gz OYEUKCYVXSYVKV-JOHJSAGNSA-N 0 1 430.371 5.002 50 30 IKEAMN Cc1ccc(C)c(CSC2=NC(c3ccccc3F)C3=C(N2)c2ccccc2C3=O)c1 ZINC000012954246 524106879 /nfs/dbraw/zinc/10/68/79/524106879.db2.gz INAACLLPXVNCRV-XMMPIXPASA-N 0 1 428.532 5.984 50 30 IKEAMN Cc1ccc(CC2S/C(=N/N=C/c3ccc(Cl)cc3)N(Cc3ccco3)C2=O)cc1 ZINC000012125081 524667387 /nfs/dbraw/zinc/66/73/87/524667387.db2.gz DRQXGNCDEPIHFF-NNLCKWJRSA-N 0 1 437.952 5.318 50 30 IKEAMN Cc1ccnc(N2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccc(Cl)cc2)c1 ZINC000012634226 525664351 /nfs/dbraw/zinc/66/43/51/525664351.db2.gz ZIVANBKPGUYQHS-HXUWFJFHSA-N 0 1 439.298 5.480 50 30 IKEAMN Cc1ccc([C@@H]2c3c(n[nH]c3-c3cccc([N+](=O)[O-])c3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000020849699 525867241 /nfs/dbraw/zinc/86/72/41/525867241.db2.gz WPTSZLWFLAHUPM-FQEVSTJZSA-N 0 1 428.492 5.494 50 30 IKEAMN Cc1c([C@@H](C)NCc2ccc(C#CC(C)(C)O)s2)cnn1-c1cccc2ccccc21 ZINC000012836402 525898192 /nfs/dbraw/zinc/89/81/92/525898192.db2.gz YFEFOIKEFANGLG-GOSISDBHSA-N 0 1 429.589 5.369 50 30 IKEAMN Cc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)NC2CCCC2)cc1 ZINC000021722111 525985339 /nfs/dbraw/zinc/98/53/39/525985339.db2.gz RSGYACKTUAFCNT-SANMLTNESA-N 0 1 443.591 6.264 50 30 IKEAMN Cc1ccc(C(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000012652108 526144417 /nfs/dbraw/zinc/14/44/17/526144417.db2.gz IMIYEASXSPIHHA-AREMUKBSSA-N 0 1 442.946 6.469 50 30 IKEAMN C[C@H]1CCCC[N@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 ZINC000020646954 526251279 /nfs/dbraw/zinc/25/12/79/526251279.db2.gz WUEDDSYVZIQZJQ-VPBNWZFVSA-N 0 1 425.528 6.050 50 30 IKEAMN Oc1c(Br)cc(Br)cc1C=NNc1c(Cl)cncc1Cl ZINC000020615373 526323171 /nfs/dbraw/zinc/32/31/71/526323171.db2.gz LRMNSMOMUNAUIQ-JFQJCAQQSA-N 0 1 439.922 5.065 50 30 IKEAMN S=c1[nH]nc(-c2ccccc2Br)n1N=Cc1ccc(-c2ccccc2)cc1 ZINC000013583145 526386901 /nfs/dbraw/zinc/38/69/01/526386901.db2.gz MXVRVSJUBMZXDA-OEAKJJBVSA-N 0 1 435.350 5.919 50 30 IKEAMN O=C(NCc1ccco1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000012652157 526776289 /nfs/dbraw/zinc/77/62/89/526776289.db2.gz FZEASFVXNGYIKW-DEOSSOPVSA-N 0 1 447.922 5.823 50 30 IKEAMN O=C(c1cccc2ccccc21)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccccc1 ZINC000012652174 526785885 /nfs/dbraw/zinc/78/58/85/526785885.db2.gz GRHIJDUPTQCUDF-GDLZYMKVSA-N 0 1 444.534 6.661 50 30 IKEAMN O=S(=O)(NC1CCCCC1)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 ZINC000000676454 555534654 /nfs/dbraw/zinc/53/46/54/555534654.db2.gz XUFFUKKRWSPSCD-WSDLNYQXSA-N 0 1 427.353 5.061 50 30 IKEAMN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N[C@@H]3c3c[nH]c4ccccc43)C2)cc1 ZINC000000681730 555537474 /nfs/dbraw/zinc/53/74/74/555537474.db2.gz SGENHWCBNUIGCF-KWMCUTETSA-N 0 1 435.527 6.156 50 30 IKEAMN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccs1 ZINC000000986587 555594959 /nfs/dbraw/zinc/59/49/59/555594959.db2.gz ZTASUGYKTPNPGU-AFMDSPMNSA-N 0 1 442.584 6.305 50 30 IKEAMN Cn1cccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2ccccc2N1C(=O)c1ccccc1 ZINC000001084147 555626208 /nfs/dbraw/zinc/62/62/08/555626208.db2.gz IASDRNVNEONLOG-RUZDIDTESA-N 0 1 425.532 5.482 50 30 IKEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000001120524 555637278 /nfs/dbraw/zinc/63/72/78/555637278.db2.gz COVPLLUFWZDQIK-FYYLOGMGSA-N 0 1 433.548 5.050 50 30 IKEAMN Oc1c(Br)cc(Cl)cc1/C=N/c1ccc(-c2nc3ccccc3s2)cc1 ZINC000001884850 555722226 /nfs/dbraw/zinc/72/22/26/555722226.db2.gz JLWRCZVLHITXIA-FOKLQQMPSA-N 0 1 443.753 6.835 50 30 IKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2cc(Br)ccc2O)cc1 ZINC000002592322 555789244 /nfs/dbraw/zinc/78/92/44/555789244.db2.gz ZCJSKXOSCPDSOI-SRZZPIQSSA-N 0 1 431.359 5.255 50 30 IKEAMN COc1ccc(/C=N/c2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)cc1Br ZINC000003184465 555895181 /nfs/dbraw/zinc/89/51/81/555895181.db2.gz QSKVIGSLLCJWQV-WYMPLXKRSA-N 0 1 437.293 6.031 50 30 IKEAMN CCc1n[nH]c(=S)n1N=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000003262373 555910968 /nfs/dbraw/zinc/91/09/68/555910968.db2.gz NJQGLEMIZLJEQA-WGOQTCKBSA-N 0 1 444.560 5.543 50 30 IKEAMN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N[C@H]3c3cccc4ccccc43)C2)cc1 ZINC000004046888 555955299 /nfs/dbraw/zinc/95/52/99/555955299.db2.gz IBSKXRMGHUTOPQ-DFXYEROKSA-N 0 1 446.550 6.828 50 30 IKEAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1cccc(Br)c1 ZINC000004180918 555974269 /nfs/dbraw/zinc/97/42/69/555974269.db2.gz UZCIMOZMIPOQJY-JOCHJYFZSA-N 0 1 439.353 5.612 50 30 IKEAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1cccc(Br)c1 ZINC000004180917 555974281 /nfs/dbraw/zinc/97/42/81/555974281.db2.gz UZCIMOZMIPOQJY-QFIPXVFZSA-N 0 1 439.353 5.612 50 30 IKEAMN CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(N(C)C)cc1 ZINC000005091641 556032092 /nfs/dbraw/zinc/03/20/92/556032092.db2.gz QGINGTOFZBVZKJ-RUZDIDTESA-N 0 1 431.580 5.552 50 30 IKEAMN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@H]3c3ccco3)C2)cc1 ZINC000006498940 556091783 /nfs/dbraw/zinc/09/17/83/556091783.db2.gz VKWBHSAKGOIDEP-QYBDOPJKSA-N 0 1 428.488 5.209 50 30 IKEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nccs2)c1 ZINC000008384349 556160010 /nfs/dbraw/zinc/16/00/10/556160010.db2.gz WSCAKRWHDMLFCI-IBGZPJMESA-N 0 1 438.505 5.006 50 30 IKEAMN CCCCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000008431734 556171450 /nfs/dbraw/zinc/17/14/50/556171450.db2.gz IZGYIPCECYBTOM-AREMUKBSSA-N 0 1 432.564 6.028 50 30 IKEAMN CCCCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CC)cc1 ZINC000008432106 556171551 /nfs/dbraw/zinc/17/15/51/556171551.db2.gz AJHDJVAAGJGEJD-MHZLTWQESA-N 0 1 446.591 6.419 50 30 IKEAMN CCCCOc1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000008440801 556176536 /nfs/dbraw/zinc/17/65/36/556176536.db2.gz CYYVWSFVWZGQGP-NRFANRHFSA-N 0 1 437.517 5.299 50 30 IKEAMN CCCCOc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)c1 ZINC000008443849 556178346 /nfs/dbraw/zinc/17/83/46/556178346.db2.gz ZQSRUMGIKOTNIK-AREMUKBSSA-N 0 1 432.564 6.028 50 30 IKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccs3)sc2c1 ZINC000008740839 556206661 /nfs/dbraw/zinc/20/66/61/556206661.db2.gz KESLFXKGVCKTDC-SFHVURJKSA-N 0 1 436.514 5.296 50 30 aggregator IKEAMN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000008741464 556206925 /nfs/dbraw/zinc/20/69/25/556206925.db2.gz VXPYLFGBYLCGDV-OAQYLSRUSA-N 0 1 432.545 5.219 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000008817352 556218008 /nfs/dbraw/zinc/21/80/08/556218008.db2.gz OFUDCQMFADEAGB-INIZCTEOSA-N 0 1 431.300 5.233 50 30 IKEAMN COc1cccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)c1 ZINC000008913998 556232184 /nfs/dbraw/zinc/23/21/84/556232184.db2.gz FVWWBSVRCAEWET-PIKZIKFNSA-N 0 1 438.527 5.616 50 30 IKEAMN CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000009046140 556242791 /nfs/dbraw/zinc/24/27/91/556242791.db2.gz MZMZUYCKJBITOA-VWLOTQADSA-N 0 1 436.983 6.673 50 30 IKEAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1cccc(O)c1 ZINC000009067900 556244924 /nfs/dbraw/zinc/24/49/24/556244924.db2.gz CCIVEXPTYGLIBW-SANMLTNESA-N 0 1 432.564 6.116 50 30 biogenic IKEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2cccc(OC(C)C)c2)cc1Br ZINC000009087200 556245487 /nfs/dbraw/zinc/24/54/87/556245487.db2.gz SEMTVWWKQIUVRI-SRZZPIQSSA-N 0 1 447.358 5.048 50 30 IKEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009110963 556247762 /nfs/dbraw/zinc/24/77/62/556247762.db2.gz RRJSWOPLLUZWEN-NRFANRHFSA-N 0 1 437.854 5.271 50 30 IKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000009123184 556248194 /nfs/dbraw/zinc/24/81/94/556248194.db2.gz YSXMGWOQEKTMTN-DEOSSOPVSA-N 0 1 443.499 5.094 50 30 IKEAMN O=C(Nc1ccc(Cl)cc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccccc1 ZINC000009264174 556270080 /nfs/dbraw/zinc/27/00/80/556270080.db2.gz JPBLRQVNZTYZAI-RUZDIDTESA-N 0 1 443.934 6.552 50 30 IKEAMN COc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2ccccc2N1C(=O)c1ccc(C)cc1 ZINC000009264182 556270116 /nfs/dbraw/zinc/27/01/16/556270116.db2.gz GXZVAFZNBOLXDS-MHZLTWQESA-N 0 1 438.527 5.824 50 30 IKEAMN O=C(c1ccc(Cl)cc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1 ZINC000009264159 556270164 /nfs/dbraw/zinc/27/01/64/556270164.db2.gz ODPHRYGXPPCFJO-VWLOTQADSA-N 0 1 428.919 6.161 50 30 IKEAMN COc1ccccc1[C@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1C(C)=O ZINC000009264312 556270368 /nfs/dbraw/zinc/27/03/68/556270368.db2.gz GHIOUXPTYCHIBO-QUGAMOGWSA-N 0 1 428.488 5.209 50 30 IKEAMN COc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2ccccc2N1C(=O)c1ccc(C)cc1 ZINC000009264183 556270457 /nfs/dbraw/zinc/27/04/57/556270457.db2.gz GXZVAFZNBOLXDS-HHHXNRCGSA-N 0 1 438.527 5.824 50 30 IKEAMN CC(C)Oc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)cc2)c1 ZINC000009316287 556280376 /nfs/dbraw/zinc/28/03/76/556280376.db2.gz RCNXCFORKZLNFB-WGOQTCKBSA-N 0 1 444.560 5.856 50 30 IKEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1 ZINC000009374793 556286797 /nfs/dbraw/zinc/28/67/97/556286797.db2.gz PYQIFMUZXFIOCF-XMMPIXPASA-N 0 1 442.515 5.039 50 30 IKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009375076 556286799 /nfs/dbraw/zinc/28/67/99/556286799.db2.gz DPXYSGGAJFIYSL-OAQYLSRUSA-N 0 1 441.955 5.252 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000009763880 556308587 /nfs/dbraw/zinc/30/85/87/556308587.db2.gz DYCLQCJUNQRXSY-IBGZPJMESA-N 0 1 425.271 5.171 50 30 IKEAMN CCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1cccc(Br)c1 ZINC000009762894 556308601 /nfs/dbraw/zinc/30/86/01/556308601.db2.gz DUNRWRKRPPMHOD-HSZRJFAPSA-N 0 1 439.353 5.756 50 30 IKEAMN CCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1cccc(Br)c1 ZINC000009762893 556308677 /nfs/dbraw/zinc/30/86/77/556308677.db2.gz DUNRWRKRPPMHOD-QHCPKHFHSA-N 0 1 439.353 5.756 50 30 IKEAMN CN(C)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000009861330 556314666 /nfs/dbraw/zinc/31/46/66/556314666.db2.gz DVWAKHSJMLPFLW-HHHXNRCGSA-N 0 1 437.543 5.573 50 30 IKEAMN COc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc(Cl)c1O ZINC000015227516 556512347 /nfs/dbraw/zinc/51/23/47/556512347.db2.gz APIQWYQWALTPTD-RWPZCVJISA-N 0 1 428.875 6.603 50 30 IKEAMN CCCCCCCCCCCCCCCCCCNC(C)=C1C(=O)NC(=O)N(C)C1=O ZINC000100669970 556642283 /nfs/dbraw/zinc/64/22/83/556642283.db2.gz GZNBLMZWYPBOKI-QURGRASLSA-N 0 1 435.653 5.820 50 30 IKEAMN S=c1[nH]nc(-c2ccccc2Br)n1N=Cc1ccc(Cl)cc1Cl ZINC000016996428 556652318 /nfs/dbraw/zinc/65/23/18/556652318.db2.gz WUKGEGYYPNFTSF-UFWORHAWSA-N 0 1 428.142 5.559 50 30 IKEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1cccc(OCc2ccccc2)c1)C(C#N)C#N ZINC000100742528 556659945 /nfs/dbraw/zinc/65/99/45/556659945.db2.gz UVAJZDIKUDVWRW-SANMLTNESA-N 0 1 434.499 5.261 50 30 IKEAMN COc1c2c(cc3c1[C@@H](C/C(=N\O)C1=CC[C@H](CCC=C(C)C)CC1)N(C)CC3)OCO2 ZINC000100756091 556664552 /nfs/dbraw/zinc/66/45/52/556664552.db2.gz PBRQQVMWXPODJH-LEYFJVNLSA-N 0 1 440.584 5.646 50 30 biogenic IKEAMN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@H]3c3ccco3)C2)cc1 ZINC000018130683 556684402 /nfs/dbraw/zinc/68/44/02/556684402.db2.gz BFVILGZACDUFHH-HRFSGMKKSA-N 0 1 438.527 5.899 50 30 IKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000018285627 556689431 /nfs/dbraw/zinc/68/94/31/556689431.db2.gz BXNREIQYHKIHTL-MMTVBGGISA-N 0 1 440.518 6.136 50 30 IKEAMN O=C(c1cc2ccccc2o1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Cl)c1 ZINC000013728493 556721146 /nfs/dbraw/zinc/72/11/46/556721146.db2.gz UDMXQIUVWKMNJZ-QFIPXVFZSA-N 0 1 444.874 5.260 50 30 IKEAMN Cc1ccc2c(c1)c1c3n2CCN(C/C(=N/O)c2ccc(Br)cc2)[C@@H]3CCC1 ZINC000019595372 556830599 /nfs/dbraw/zinc/83/05/99/556830599.db2.gz DVMIVQQSTIZTJJ-IVYNLYIOSA-N 0 1 438.369 5.284 50 30 IKEAMN Cc1ccc2c(c1)c1c3n2CCN(C/C(=N/O)c2ccc(Br)cc2)[C@H]3CCC1 ZINC000019595373 556830757 /nfs/dbraw/zinc/83/07/57/556830757.db2.gz DVMIVQQSTIZTJJ-WTALZMIHSA-N 0 1 438.369 5.284 50 30 IKEAMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000020175985 556995213 /nfs/dbraw/zinc/99/52/13/556995213.db2.gz JXVXKLQLAMETLE-ZVHZXABRSA-N 0 1 448.504 5.628 50 30 IKEAMN CCOc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000020175985 556995216 /nfs/dbraw/zinc/99/52/16/556995216.db2.gz JXVXKLQLAMETLE-ZVHZXABRSA-N 0 1 448.504 5.628 50 30 IKEAMN COc1ccc(/C=C/C(=O)c2ccccc2O)cc1CSc1nc2ccccc2s1 ZINC000020258674 557003773 /nfs/dbraw/zinc/00/37/73/557003773.db2.gz LRTHJUUMRZOLAX-ZRDIBKRKSA-N 0 1 433.554 6.199 50 30 IKEAMN CCCCCCCCCCCCCCCCCCNc1ccnc2cc3ccccc3cc21 ZINC000097996981 557004201 /nfs/dbraw/zinc/00/42/01/557004201.db2.gz FKWYLERBBUYMGC-UHFFFAOYSA-N 0 1 446.723 10.061 50 30 IKEAMN CCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000098046262 557046617 /nfs/dbraw/zinc/04/66/17/557046617.db2.gz KNFWDEOYRQGUQA-QFIPXVFZSA-N 0 1 425.956 6.279 50 30 IKEAMN CCCCC(=O)NC(Nc1ccc(OC(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F ZINC000098049070 557048848 /nfs/dbraw/zinc/04/88/48/557048848.db2.gz LPLINXCCTVWIIL-UHFFFAOYSA-N 0 1 426.279 5.124 50 30 IKEAMN Cc1ccc(C(=O)Cc2nc3ccc([N+](=O)[O-])cc3nc2CC(=O)c2ccc(C)cc2)cc1 ZINC000017721782 557112263 /nfs/dbraw/zinc/11/22/63/557112263.db2.gz ORXNONNFHLAHLN-PMICNGQHSA-N 0 1 439.471 5.583 50 30 IKEAMN O=C1N/C(=N\c2ccc(Cl)cc2)S/C1=C/c1cc(Cl)cc(Br)c1O ZINC000033348147 557122928 /nfs/dbraw/zinc/12/29/28/557122928.db2.gz JHOPXYJZQZLVBC-AWNIVKPZSA-N 0 1 444.137 5.353 50 30 IKEAMN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000000709280 557140604 /nfs/dbraw/zinc/14/06/04/557140604.db2.gz GERFIDXGUNWYFX-JOCHJYFZSA-N 0 1 435.882 5.300 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccccn1)c1ccc(Cl)cc1 ZINC000018140180 557242549 /nfs/dbraw/zinc/24/25/49/557242549.db2.gz XAEITZFOJLNUGH-LJQANCHMSA-N 0 1 447.903 5.128 50 30 IKEAMN C(#Cc1cccc(-c2nc(-c3cnc4ccccc4c3)c(-c3ccccc3)[nH]2)c1)c1ccccc1 ZINC000018194171 557247249 /nfs/dbraw/zinc/24/72/49/557247249.db2.gz PHTBGZJRFVQPKD-UHFFFAOYSA-N 0 1 447.541 7.359 50 30 IKEAMN O=c1[nH][nH]c2c1[C@H](c1cc(Cl)cc(Cl)c1O)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018196355 557247895 /nfs/dbraw/zinc/24/78/95/557247895.db2.gz SBOCGPAZOOCTHW-VXJOIVPMSA-N 0 1 448.331 5.147 50 30 IKEAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2[nH]nc(C)c2[C@@H]3c2ccccc2Cl)cc1OC ZINC000018199315 557251177 /nfs/dbraw/zinc/25/11/77/557251177.db2.gz FGWIEEWJNLXGFK-CMJOXMDJSA-N 0 1 449.938 5.347 50 30 IKEAMN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c[nH]c2ccccc21 ZINC000018285127 557255998 /nfs/dbraw/zinc/25/59/98/557255998.db2.gz XTDJTDQSFSJBQM-HHHXNRCGSA-N 0 1 441.575 6.357 50 30 IKEAMN CC1(C)CC(=O)C2=C(C1)Nc1c(NC(=O)c3ccccc3)cnn1[C@@H]2c1ccc(Cl)cc1 ZINC000027562064 557265569 /nfs/dbraw/zinc/26/55/69/557265569.db2.gz LEPOKOHCWPBDRU-JOCHJYFZSA-N 0 1 446.938 5.447 50 30 IKEAMN Cc1ccc(-c2nc3ccccc3[nH]2)cc1/N=C/c1cc(Br)cc(Cl)c1O ZINC000100944667 557279416 /nfs/dbraw/zinc/27/94/16/557279416.db2.gz KSJYUJRNBIRKMZ-BHGWPJFGSA-N 0 1 440.728 6.410 50 30 IKEAMN Cc1cccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1C ZINC000100971578 557279975 /nfs/dbraw/zinc/27/99/75/557279975.db2.gz ZRCJIXRZXOCBDR-PSCYQSDVSA-N 0 1 429.545 5.468 50 30 IKEAMN CCCCCCC[C@@](O)(c1ccc(OCC)cc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000101662254 557293476 /nfs/dbraw/zinc/29/34/76/557293476.db2.gz BDHOAVLJCSZZQQ-VSGBNLITSA-N 0 1 439.640 5.749 50 30 IKEAMN CCCCCCC[C@](O)(c1ccc(OCC)cc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000101662250 557293500 /nfs/dbraw/zinc/29/35/00/557293500.db2.gz BDHOAVLJCSZZQQ-NSOVKSMOSA-N 0 1 439.640 5.749 50 30 IKEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102401971 557320904 /nfs/dbraw/zinc/32/09/04/557320904.db2.gz KSLNEJOAAJBDPU-ZCCPQQFYSA-N 0 1 425.528 5.474 50 30 IKEAMN Cc1ccc(Sc2[nH]c(-c3ccccc3)nc2C=Nc2cccc(C(F)(F)F)c2)cc1 ZINC000100143796 557334170 /nfs/dbraw/zinc/33/41/70/557334170.db2.gz FWCZZUHFIYRBKN-RWPZCVJISA-N 0 1 437.490 7.306 50 30 IKEAMN CCCCCCOc1ccc(/C=N/N=C2\NC(=O)C(Cc3ccc(CC)cc3)S2)cc1 ZINC000011690583 557369864 /nfs/dbraw/zinc/36/98/64/557369864.db2.gz HOBDPAANGFGAPM-HXTHCWADSA-N 0 1 437.609 5.372 50 30 IKEAMN CCCC1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000033925804 557385367 /nfs/dbraw/zinc/38/53/67/557385367.db2.gz FMMOZPPXADXNAA-USMIYEOCSA-N 0 1 448.361 5.222 50 30 IKEAMN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@H]1c1nc3ccccc3s1)CCCC2 ZINC000023936708 557387719 /nfs/dbraw/zinc/38/77/19/557387719.db2.gz BZDWQMCXJSGQTG-SFHVURJKSA-N 0 1 436.606 5.274 50 30 IKEAMN Cc1ccccc1-c1nc2cc(/N=C/c3cc(Cl)cc(Br)c3O)ccc2o1 ZINC000003113240 557390551 /nfs/dbraw/zinc/39/05/51/557390551.db2.gz RWRHIBWDHVAQRP-BHGWPJFGSA-N 0 1 441.712 6.675 50 30 IKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccccc3F)sc2c1 ZINC000102800576 557390549 /nfs/dbraw/zinc/39/05/49/557390549.db2.gz XZQOAGHGJHTIHM-NHFXJNLRSA-N 0 1 448.475 5.217 50 30 IKEAMN O=C(c1cccs1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102802893 557391257 /nfs/dbraw/zinc/39/12/57/557391257.db2.gz LIPAXNJFABKUHE-GHNGSUTGSA-N 0 1 445.327 5.072 50 30 IKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccco3)sc2c1 ZINC000102876307 557395568 /nfs/dbraw/zinc/39/55/68/557395568.db2.gz FULXJBHGTYQXPN-YDJIHCHBSA-N 0 1 448.475 5.217 50 30 IKEAMN CN(C)C=[NH+]C([O-])=C(c1ccc(C(=O)c2ccccc2)cc1)c1ccc(Cl)cc1Cl ZINC000100256129 557395984 /nfs/dbraw/zinc/39/59/84/557395984.db2.gz HYVHLYUDGMAOET-TVYAFPLLSA-N 0 1 439.342 5.473 50 30 IKEAMN COc1ccc(/N=C2\[C@@H](N3CCCCC3)C3(CCCCC3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000033435838 557398244 /nfs/dbraw/zinc/39/82/44/557398244.db2.gz XDCJEFXHDHXMHZ-BFFRAMDSSA-N 0 1 445.607 5.885 50 30 IKEAMN COc1ccc(/N=C2\[C@H](N3CCCC3)C3(CCCCC3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000033435817 557398317 /nfs/dbraw/zinc/39/83/17/557398317.db2.gz YCXREHIUXQNIAX-HELSZXIZSA-N 0 1 431.580 5.495 50 30 IKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3ccccc3)[C@@H]2c2ccc(C#N)cc2)C1 ZINC000102857498 557398796 /nfs/dbraw/zinc/39/87/96/557398796.db2.gz NALGZXZFZNYTQS-HHHXNRCGSA-N 0 1 447.538 6.665 50 30 IKEAMN C=C(C/C=C(\C)CCC=C(C)C)/C(C[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C)=N\O ZINC000033586942 557414494 /nfs/dbraw/zinc/41/44/94/557414494.db2.gz KUNNXNOAUCFJRF-MPYNNIIOSA-N 0 1 440.584 5.812 50 30 biogenic IKEAMN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2C(C)=Nc2ccccc2)cc1 ZINC000104128822 557451164 /nfs/dbraw/zinc/45/11/64/557451164.db2.gz WKNZYFPSUUJKKD-PCLIKHOPSA-N 0 1 428.448 5.302 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000104240400 557453318 /nfs/dbraw/zinc/45/33/18/557453318.db2.gz IRDOUFISEIOTJK-WOOAAIBNSA-N 0 1 425.271 5.015 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000104240395 557453409 /nfs/dbraw/zinc/45/34/09/557453409.db2.gz IRDOUFISEIOTJK-LFVOPCPISA-N 0 1 425.271 5.015 50 30 IKEAMN CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccccc3)cnn1[C@@H]2c1ccccc1Cl ZINC000044858734 557537966 /nfs/dbraw/zinc/53/79/66/557537966.db2.gz BGHYQLSWPWJYOO-JOCHJYFZSA-N 0 1 446.938 5.447 50 30 IKEAMN CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccccc3)cnn1[C@H]2c1ccccc1Cl ZINC000044858731 557537991 /nfs/dbraw/zinc/53/79/91/557537991.db2.gz BGHYQLSWPWJYOO-QFIPXVFZSA-N 0 1 446.938 5.447 50 30 IKEAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2cccnc2)cc1 ZINC000001001502 562919972 /nfs/dbraw/zinc/91/99/72/562919972.db2.gz VQEAGRYMZHFYAX-HRFSGMKKSA-N 0 1 439.515 5.011 50 30 IKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(Cl)c2)no1 ZINC000008827767 562964504 /nfs/dbraw/zinc/96/45/04/562964504.db2.gz CKBMRUVXIVHHLM-HXUWFJFHSA-N 0 1 434.835 5.166 50 30 IKEAMN N#Cc1c(=O)[nH]c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nc1C1CCCCC1 ZINC000001043293 568654115 /nfs/dbraw/zinc/65/41/15/568654115.db2.gz XZUDTLRHINCAOX-UHFFFAOYSA-N 0 1 437.352 5.139 50 30 IKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000001097817 568658700 /nfs/dbraw/zinc/65/87/00/568658700.db2.gz PHBSIRLDUCKWOM-DEOSSOPVSA-N 0 1 426.516 5.292 50 30 IKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)c1O ZINC000015134939 568664187 /nfs/dbraw/zinc/66/41/87/568664187.db2.gz ZFMBJWANEMHFFS-BHGWPJFGSA-N 0 1 437.839 5.830 50 30 IKEAMN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2cccnc2)cc1 ZINC000004035916 568759706 /nfs/dbraw/zinc/75/97/06/568759706.db2.gz CQFWKIXFDAHDJB-DFHRPNOPSA-N 0 1 449.554 5.701 50 30 IKEAMN Cc1c(C#N)c(Sc2ccccc2NS(=O)(=O)c2ccccc2)nc2ccccc12 ZINC000001324184 568779695 /nfs/dbraw/zinc/77/96/95/568779695.db2.gz XKLASVHHTUXVMY-UHFFFAOYSA-N 0 1 431.542 5.367 50 30 IKEAMN COc1c(Br)cc(Br)cc1C=NNc1nc2ccccc2s1 ZINC000004133085 568781270 /nfs/dbraw/zinc/78/12/70/568781270.db2.gz ANEHNMDAGHNGFH-QGMBQPNBSA-N 0 1 441.148 5.276 50 30 IKEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccccc2)cc1 ZINC000001414684 568790274 /nfs/dbraw/zinc/79/02/74/568790274.db2.gz CNOCCSRKDOGPAD-RUZDIDTESA-N 0 1 436.511 5.297 50 30 IKEAMN CCCCCCCCCCCCOc1ccccc1NS(=O)(=O)c1cccc(N)c1 ZINC000100813472 568843364 /nfs/dbraw/zinc/84/33/64/568843364.db2.gz SGJFZXICOQEXOO-UHFFFAOYSA-N 0 1 432.630 6.369 50 30 IKEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(F)cc1 ZINC000006283042 568881854 /nfs/dbraw/zinc/88/18/54/568881854.db2.gz VFYROTRSQQWLQJ-OAQYLSRUSA-N 0 1 437.854 5.271 50 30 IKEAMN CCCCCCCN1C(=O)NC(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000001796402 568908223 /nfs/dbraw/zinc/90/82/23/568908223.db2.gz MGOYZVKDBVPYIH-HAVVHWLPSA-N 0 1 443.547 5.326 50 30 IKEAMN CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(Oc2ccccc2)cc1 ZINC000026841471 568917928 /nfs/dbraw/zinc/91/79/28/568917928.db2.gz BOMAOFOTBQZVIL-XMMPIXPASA-N 0 1 443.499 5.394 50 30 IKEAMN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(N(CC)CC)cc1 ZINC000006720432 568961719 /nfs/dbraw/zinc/96/17/19/568961719.db2.gz ZGGNOOHKJBNGBI-HHHXNRCGSA-N 0 1 431.580 5.840 50 30 IKEAMN CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c1O ZINC000252596011 569193207 /nfs/dbraw/zinc/19/32/07/569193207.db2.gz CFKLCGMKDSMTPD-UHFFFAOYSA-N 0 1 437.839 5.911 50 30 IKEAMN CCCCC1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000002206476 569193520 /nfs/dbraw/zinc/19/35/20/569193520.db2.gz PQVZICXKNNRIPL-UVQVWFEYSA-N 0 1 429.589 6.173 50 30 IKEAMN Oc1c(Cl)cc(Cl)cc1CN=Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000252619411 569198147 /nfs/dbraw/zinc/19/81/47/569198147.db2.gz LOSZFWOHDLPJAT-UHFFFAOYSA-N 0 1 436.302 5.664 50 30 IKEAMN CCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(c2ccccc2)C1=O ZINC000252618610 569198158 /nfs/dbraw/zinc/19/81/58/569198158.db2.gz LIPNXQLBCIZNOH-QFIPXVFZSA-N 0 1 445.544 5.250 50 30 IKEAMN Cc1cccc2oc(-c3cc(N=Cc4ccc(-c5cccc(Cl)c5)o4)ccc3O)nc21 ZINC000252623184 569202178 /nfs/dbraw/zinc/20/21/78/569202178.db2.gz OLWURIXSGARMNR-UHFFFAOYSA-N 0 1 428.875 7.173 50 30 IKEAMN CN(C)c1ccc(N=C2C(c3ccccc3)=CC(c3ccccc3)=C2c2ccccc2)cc1 ZINC000252427716 569271208 /nfs/dbraw/zinc/27/12/08/569271208.db2.gz DAMNZEXCJWTEKJ-UHFFFAOYSA-N 0 1 426.563 7.533 50 30 IKEAMN C(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(-c2ccccc2)cc1 ZINC000252429493 569271287 /nfs/dbraw/zinc/27/12/87/569271287.db2.gz VGQLRFOGNGBQPU-UHFFFAOYSA-N 0 1 429.567 6.075 50 30 IKEAMN Oc1c(Br)cc(Br)cc1C=Nc1ccc(Br)cc1 ZINC000254700523 569273960 /nfs/dbraw/zinc/27/39/60/569273960.db2.gz CVXMCWODKNBQFO-UHFFFAOYSA-N 0 1 433.925 5.430 50 30 IKEAMN CN1c2ccccc2C(C)(C)/C1=C/N=C1C(=O)C=C(N2CCc3ccccc32)c2ccccc21 ZINC000334156992 569285666 /nfs/dbraw/zinc/28/56/66/569285666.db2.gz XTARLDHTHIAOSF-AOAGUHBJSA-N 0 1 445.566 5.731 50 30 IKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(N2CCOCC2)c(Br)c1 ZINC000585655921 569290059 /nfs/dbraw/zinc/29/00/59/569290059.db2.gz VVQVMASNFFURGK-UFFVCSGVSA-N 0 1 430.129 5.049 50 30 IKEAMN COc1cc(Br)cc(C=Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c1O ZINC000020075289 569333824 /nfs/dbraw/zinc/33/38/24/569333824.db2.gz ONHYFHCPXLDSAN-BHGWPJFGSA-N 0 1 440.272 5.596 50 30 IKEAMN COc1ccc([C@@H]2c3c(n[nH]c3-c3ccc([N+](=O)[O-])cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000020134799 569335760 /nfs/dbraw/zinc/33/57/60/569335760.db2.gz GIHWLBZUBFIBJV-FQEVSTJZSA-N 0 1 444.491 5.194 50 30 IKEAMN Oc1c(Cl)cc(Br)cc1/C=N/c1ccc(-c2nc3ccccc3o2)cc1 ZINC000096562002 569401023 /nfs/dbraw/zinc/40/10/23/569401023.db2.gz OZQVSUJOSJMMDH-FOKLQQMPSA-N 0 1 427.685 6.367 50 30 IKEAMN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCC[C@@H](C)C3)C2=O)c2cc(OC)ccc21 ZINC000028182798 569408770 /nfs/dbraw/zinc/40/87/70/569408770.db2.gz CYWOHMRXGGESRQ-VXHGTMSESA-N 0 1 446.547 5.224 50 30 IKEAMN CCCCN(CCCC)CN1c2ccccc2/C(=N/c2cccc(C(F)(F)F)c2)C1=O ZINC000003028973 569436566 /nfs/dbraw/zinc/43/65/66/569436566.db2.gz IDAINOIWKMGRKQ-SLMZUGIISA-N 0 1 431.502 6.033 50 30 IKEAMN Oc1c(Cl)cc(Br)cc1/C=N/c1ccc(I)cc1 ZINC000003115099 569440469 /nfs/dbraw/zinc/44/04/69/569440469.db2.gz KYNKJWCMAHTUDW-REZTVBANSA-N 0 1 436.474 5.163 50 30 IKEAMN Oc1c(Cl)cc(Br)cc1/C=N/c1ccc(-c2nc3ncccc3o2)cc1 ZINC000003114608 569440489 /nfs/dbraw/zinc/44/04/89/569440489.db2.gz ZNXKIGHBINIOJX-AUEPDCJTSA-N 0 1 428.673 5.762 50 30 IKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1cccnc1 ZINC000004074962 569458643 /nfs/dbraw/zinc/45/86/43/569458643.db2.gz NSTOXWAGNZTKNY-BCHFMIIMSA-N 0 1 427.479 5.141 50 30 IKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000008743984 569473030 /nfs/dbraw/zinc/47/30/30/569473030.db2.gz SJAHVJFTNQWEOL-SFHVURJKSA-N 0 1 429.259 5.073 50 30 IKEAMN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000008837563 569478260 /nfs/dbraw/zinc/47/82/60/569478260.db2.gz VXBSRSYNUKZIOX-HXUWFJFHSA-N 0 1 448.475 5.428 50 30 IKEAMN COc1ccccc1[C@@H](CNc1oc(Cc2cccc3ccccc32)nc1C#N)N(C)C ZINC000008915850 569485638 /nfs/dbraw/zinc/48/56/38/569485638.db2.gz WWBOCEUHUVGZLM-HSZRJFAPSA-N 0 1 426.520 5.014 50 30 IKEAMN COc1c2c(cc3c1[C@@H](C/C(=N\O)C1=CC[C@@H](CCC=C(C)C)CC1)N(C)CC3)OCO2 ZINC000008917796 569486067 /nfs/dbraw/zinc/48/60/67/569486067.db2.gz PBRQQVMWXPODJH-NAJRZFLUSA-N 0 1 440.584 5.646 50 30 biogenic IKEAMN COc1ccc(-c2nc(NCCC(c3ccccc3)c3ccccc3)[nH]c(=O)c2C#N)cc1 ZINC000040129974 569490202 /nfs/dbraw/zinc/49/02/02/569490202.db2.gz FLGNWVLBBOPLJO-UHFFFAOYSA-N 0 1 436.515 5.364 50 30 IKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009019403 569496933 /nfs/dbraw/zinc/49/69/33/569496933.db2.gz WPKZLRUQCYVOOI-HSZRJFAPSA-N 0 1 445.515 5.364 50 30 IKEAMN CCCC1S/C(=N\N=C\c2ccccc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000009019810 569496936 /nfs/dbraw/zinc/49/69/36/569496936.db2.gz CELIVHCDEHZDQM-WCQPBMKCSA-N 0 1 431.561 5.483 50 30 IKEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009065344 569499652 /nfs/dbraw/zinc/49/96/52/569499652.db2.gz DZXMMRFUGSBWQO-JOCHJYFZSA-N 0 1 448.906 5.305 50 30 IKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(F)c1 ZINC000009067571 569499999 /nfs/dbraw/zinc/49/99/99/569499999.db2.gz GGXZFQFEPIKPTM-PIIWDFAUSA-N 0 1 440.518 6.136 50 30 IKEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000009086065 569500615 /nfs/dbraw/zinc/50/06/15/569500615.db2.gz KRMWPKMMWHBYRD-GOSISDBHSA-N 0 1 448.744 5.481 50 30 IKEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009239784 569514612 /nfs/dbraw/zinc/51/46/12/569514612.db2.gz DZXMMRFUGSBWQO-QFIPXVFZSA-N 0 1 448.906 5.305 50 30 IKEAMN CCCC1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2cccc3ccccc32)C1=O ZINC000009271884 569517815 /nfs/dbraw/zinc/51/78/15/569517815.db2.gz SPTWKSVDAFDCRZ-MNWLEOAJSA-N 0 1 446.532 5.382 50 30 IKEAMN O=C(C1CC1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000009272080 569517877 /nfs/dbraw/zinc/51/78/77/569517877.db2.gz ZHQYSJCZMJRFFK-BCHFMIIMSA-N 0 1 440.568 6.059 50 30 IKEAMN N#Cc1ccc(CN2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c(F)c1 ZINC000069877894 569522600 /nfs/dbraw/zinc/52/26/00/569522600.db2.gz NELWIZZHDWDQFN-VWLOTQADSA-N 0 1 434.559 5.386 50 30 IKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccco3)sc2c1 ZINC000009354341 569525038 /nfs/dbraw/zinc/52/50/38/569525038.db2.gz DSGFOHUFBCJRFX-HXUWFJFHSA-N 0 1 448.475 5.374 50 30 IKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009374703 569527245 /nfs/dbraw/zinc/52/72/45/569527245.db2.gz UEUMNXDYKVRGFQ-HSZRJFAPSA-N 0 1 431.919 5.469 50 30 IKEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccccc2F)cc1 ZINC000009380225 569527893 /nfs/dbraw/zinc/52/78/93/569527893.db2.gz MGLATFUNRHULEZ-OTQXGJDPSA-N 0 1 429.447 5.017 50 30 IKEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009424262 569533109 /nfs/dbraw/zinc/53/31/09/569533109.db2.gz UUMOJUBWCNJEIZ-FPTDNZKUSA-N 0 1 449.890 5.035 50 30 IKEAMN CCCC1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O ZINC000009461692 569537108 /nfs/dbraw/zinc/53/71/08/569537108.db2.gz XFDTZFCNPVJKED-FPOGMNQUSA-N 0 1 429.589 6.091 50 30 IKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(C)o3)sc2c1 ZINC000009463989 569537548 /nfs/dbraw/zinc/53/75/48/569537548.db2.gz LDDROXNLIOQZAQ-FQEVSTJZSA-N 0 1 448.500 5.444 50 30 IKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Cl)c2)no1 ZINC000009471323 569538995 /nfs/dbraw/zinc/53/89/95/569538995.db2.gz RIBUWDHKJOHVJO-SFHVURJKSA-N 0 1 429.259 5.073 50 30 IKEAMN COc1ccc([C@@H]2c3sc4c(c3CCN2Cc2cccc(C#N)c2)CCCC4)cc1OC ZINC000009527720 569544664 /nfs/dbraw/zinc/54/46/64/569544664.db2.gz MEVYVKHPAZZMDA-AREMUKBSSA-N 0 1 444.600 5.663 50 30 IKEAMN COc1cc([C@@H]2C3C(=O)CCCC3=Nc3ccccc3N2C(=O)c2ccccc2)ccc1O ZINC000009554139 569546783 /nfs/dbraw/zinc/54/67/83/569546783.db2.gz SAVWUDZQPJJYQN-AREMUKBSSA-N 0 1 440.499 5.222 50 30 IKEAMN CN(C)c1ccc([C@@H]2c3c(n[nH]c3-c3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009597278 569550888 /nfs/dbraw/zinc/55/08/88/569550888.db2.gz ZOAZGYVZTCJMFM-NRFANRHFSA-N 0 1 446.982 5.997 50 30 IKEAMN CN(C)c1ccc([C@H]2c3c(n[nH]c3-c3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009599401 569551247 /nfs/dbraw/zinc/55/12/47/569551247.db2.gz ZOAZGYVZTCJMFM-OAQYLSRUSA-N 0 1 446.982 5.997 50 30 IKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)cc1Cl ZINC000009969590 569576073 /nfs/dbraw/zinc/57/60/73/569576073.db2.gz VNIBCCUKEMSFMR-NRFANRHFSA-N 0 1 437.879 5.110 50 30 IKEAMN Cc1cc(C)cc(OCCn2cc(C=NNc3nc4ccccc4s3)c3ccccc32)c1 ZINC000001864440 569583233 /nfs/dbraw/zinc/58/32/33/569583233.db2.gz OXMWSMJJKUYWTA-JVWAILMASA-N 0 1 440.572 6.393 50 30 IKEAMN Cc1cc(C)cc(OCCn2cc(C=[NH+][N-]c3nc4ccccc4s3)c3ccccc32)c1 ZINC000001864440 569583234 /nfs/dbraw/zinc/58/32/34/569583234.db2.gz OXMWSMJJKUYWTA-JVWAILMASA-N 0 1 440.572 6.393 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000102502396 518202371 /nfs/dbraw/zinc/20/23/71/518202371.db2.gz ROMUWBVABRQNOU-NHFXJNLRSA-N 0 1 442.273 5.759 50 30 IKEAMN CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(C#CCC2CCCCC2)s1 ZINC000012367344 518463721 /nfs/dbraw/zinc/46/37/21/518463721.db2.gz WHZRQLLMOOXSPO-AFUMVMLFSA-N 0 1 439.839 7.866 50 30 IKEAMN C=C(C)CN1CCN(c2cc(C)nc3c(-c4ccccc4Cl)c(C(F)(F)F)nn32)CC1 ZINC000021150455 518606412 /nfs/dbraw/zinc/60/64/12/518606412.db2.gz YWHZWPDUYBJNNE-UHFFFAOYSA-N 0 1 449.908 5.075 50 30 IKEAMN C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 ZINC000036345889 518716121 /nfs/dbraw/zinc/71/61/21/518716121.db2.gz MLGAVALASYYZKP-XMMPIXPASA-N 0 1 431.580 5.573 50 30 IKEAMN C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C1CC1 ZINC000036302126 518719329 /nfs/dbraw/zinc/71/93/29/518719329.db2.gz HIOIBCFXHYOZNX-HSZRJFAPSA-N 0 1 447.579 5.273 50 30 IKEAMN C=CCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1 ZINC000036304871 518984643 /nfs/dbraw/zinc/98/46/43/518984643.db2.gz AZPDFYVQEHWWMB-DEOSSOPVSA-N 0 1 449.595 5.057 50 30 IKEAMN C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C ZINC000036345867 518985685 /nfs/dbraw/zinc/98/56/85/518985685.db2.gz FVSAQSHNHLOKBT-DEOSSOPVSA-N 0 1 449.595 5.055 50 30 IKEAMN C=CCOC[C@H](O)CN(CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036316307 518991347 /nfs/dbraw/zinc/99/13/47/518991347.db2.gz SOPNAQBCLWQXKK-HSZRJFAPSA-N 0 1 449.595 5.003 50 30 IKEAMN CCCC(=O)Nc1cc(/N=C/c2cc(Cl)cc(Br)c2O)ccc1Cl ZINC000013942263 519877021 /nfs/dbraw/zinc/87/70/21/519877021.db2.gz OZEHFIHVJFPIJR-ZVBGSRNCSA-N 0 1 430.129 5.951 50 30 IKEAMN CCCNC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000021722888 519883955 /nfs/dbraw/zinc/88/39/55/519883955.db2.gz AIWDFLWXFYSPMZ-DEOSSOPVSA-N 0 1 433.552 5.431 50 30 IKEAMN CC1(C)CC(=O)C2=C(C1)Nc1cc(-c3ccc([N+](=O)[O-])cc3)nn1[C@H]2c1ccc(Cl)cc1 ZINC000021658657 520260118 /nfs/dbraw/zinc/26/01/18/520260118.db2.gz OFBJWBOXZRGQKN-QHCPKHFHSA-N 0 1 448.910 5.770 50 30 IKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NC3CCCC3)[C@H]2c2ccc(F)cc2)C1 ZINC000021722168 520262305 /nfs/dbraw/zinc/26/23/05/520262305.db2.gz ZANWQEGAPSFBSQ-VWLOTQADSA-N 0 1 447.554 6.094 50 30 IKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Nc3ccccc3)[C@@H]2c2ccccc2)C1 ZINC000021722079 520263279 /nfs/dbraw/zinc/26/32/79/520263279.db2.gz YTQOWEQCYKXAEZ-AREMUKBSSA-N 0 1 437.543 6.535 50 30 IKEAMN CCCC[N@@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cn(CC)c3ccc(OC)cc13)O2 ZINC000020646651 520417449 /nfs/dbraw/zinc/41/74/49/520417449.db2.gz BNCBZIGIGYJUDJ-ZMOGYAJESA-N 0 1 434.536 5.224 50 30 IKEAMN CCCCC1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000013617429 521118597 /nfs/dbraw/zinc/11/85/97/521118597.db2.gz WLVVQLIZCFBEMH-QITWFEPBSA-N 0 1 445.588 5.873 50 30 IKEAMN CCCCC1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000013617431 521252994 /nfs/dbraw/zinc/25/29/94/521252994.db2.gz WLVVQLIZCFBEMH-BRMRTEOQSA-N 0 1 445.588 5.873 50 30 IKEAMN COc1c2c(cc3c1[C@H](CC(/C=C/[C@H]1C(C)=CCCC1(C)C)=N/O)N(C)CC3)OCO2 ZINC000036368126 521888420 /nfs/dbraw/zinc/88/84/20/521888420.db2.gz SVSPODGIYWQUSW-HGDJVORJSA-N 0 1 426.557 5.112 50 30 biogenic IKEAMN CN(CC#CC[C@@](O)(c1ccccc1)c1ccc(-c2ccccc2)cc1)Cc1ccccc1 ZINC000057234783 522416673 /nfs/dbraw/zinc/41/66/73/522416673.db2.gz YHYCFPHOWSVNKM-WJOKGBTCSA-N 0 1 431.579 6.115 50 30 IKEAMN CCn1c2ccccc2c2cc(/C=N/N3CCN(Cc4cccc5ccccc54)CC3)ccc21 ZINC000019849125 523275597 /nfs/dbraw/zinc/27/55/97/523275597.db2.gz FEHGYSRKLNBPIC-NJZRLIGZSA-N 0 1 446.598 6.119 50 30 IKEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(C)cc2)cc1OCc1ccccc1 ZINC000002695951 523455778 /nfs/dbraw/zinc/45/57/78/523455778.db2.gz MCLSZYHOJNIQLB-MFKUBSTISA-N 0 1 430.533 5.386 50 30 IKEAMN COc1ccc(Br)cc1CN=Nc1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000012369075 523491717 /nfs/dbraw/zinc/49/17/17/523491717.db2.gz UUUCBQCLJNTOOJ-QPJQQBGISA-N 0 1 442.062 6.229 50 30 IKEAMN CCC1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O ZINC000051366836 523606557 /nfs/dbraw/zinc/60/65/57/523606557.db2.gz OYEUKCYVXSYVKV-JCAVJTNVSA-N 0 1 430.371 5.002 50 30 IKEAMN CCC1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000051366853 523606732 /nfs/dbraw/zinc/60/67/32/523606732.db2.gz HUHMPQIMRFPRLA-STXSBSPXSA-N 0 1 447.560 5.101 50 30 IKEAMN Cc1ccc(C)c(CSC2=NC(c3ccccc3F)C3=C(N2)c2ccccc2C3=O)c1 ZINC000012954249 524105469 /nfs/dbraw/zinc/10/54/69/524105469.db2.gz INAACLLPXVNCRV-DEOSSOPVSA-N 0 1 428.532 5.984 50 30 IKEAMN C[C@H]1CCc2[nH]c3ccc(C(=O)C(C#N)c4nc(-c5ccc(Cl)cc5)cs4)cc3c2C1 ZINC000013133649 524432890 /nfs/dbraw/zinc/43/28/90/524432890.db2.gz XNCFSDXCKWWEHX-VBKZILBWSA-N 0 1 445.975 6.560 50 30 IKEAMN C[C@@H]1CCc2[nH]c3ccc(C(=O)C(C#N)c4nc(-c5ccc(Cl)cc5)cs4)cc3c2C1 ZINC000013133650 524718922 /nfs/dbraw/zinc/71/89/22/524718922.db2.gz XNCFSDXCKWWEHX-VLIAUNLRSA-N 0 1 445.975 6.560 50 30 IKEAMN COc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2ccccc2N1C(=O)Cc1cccs1 ZINC000012652217 524745962 /nfs/dbraw/zinc/74/59/62/524745962.db2.gz LPLOBBGHUSLRJJ-AREMUKBSSA-N 0 1 444.556 5.506 50 30 IKEAMN COc1ccc([C@H]2c3c(n[nH]c3-c3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009152919 525439982 /nfs/dbraw/zinc/43/99/82/525439982.db2.gz LWOYRPHWLYYKAS-HXUWFJFHSA-N 0 1 433.939 5.939 50 30 IKEAMN Cc1c([C@H](C)NCc2ccc(C#CC(C)(C)O)s2)cnn1-c1cccc2ccccc21 ZINC000012836404 525918920 /nfs/dbraw/zinc/91/89/20/525918920.db2.gz YFEFOIKEFANGLG-SFHVURJKSA-N 0 1 429.589 5.369 50 30 IKEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1F ZINC000009472411 526027448 /nfs/dbraw/zinc/02/74/48/526027448.db2.gz CGNMNWIRDOOKSD-QHCPKHFHSA-N 0 1 447.506 5.803 50 30 IKEAMN Cc1nn(CCC(=N)NOC(=O)c2ccc(Cl)cc2)c(C)c1Oc1ccc(Cl)cc1 ZINC000012369872 526275517 /nfs/dbraw/zinc/27/55/17/526275517.db2.gz ZFIBEIBASJXPGN-UHFFFAOYSA-N 0 1 447.322 5.118 50 30 IKEAMN Oc1c(Cl)cc(Br)cc1/C=N/c1ccc2oc(-c3ccncc3)nc2c1 ZINC000001051560 526324724 /nfs/dbraw/zinc/32/47/24/526324724.db2.gz KJQGDAZHOAUSFX-AUEPDCJTSA-N 0 1 428.673 5.762 50 30 IKEAMN Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccncc3)nc2c1 ZINC000000850671 526324996 /nfs/dbraw/zinc/32/49/96/526324996.db2.gz OEBKJALWIHQWQI-AUEPDCJTSA-N 0 1 428.673 5.762 50 30 IKEAMN O=C(NCc1ccco1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 ZINC000012652161 526776243 /nfs/dbraw/zinc/77/62/43/526776243.db2.gz FZEASFVXNGYIKW-XMMPIXPASA-N 0 1 447.922 5.823 50 30 IKEAMN N=C(C=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NOC(=O)c1ccc(Cl)cc1 ZINC000012339840 526845515 /nfs/dbraw/zinc/84/55/15/526845515.db2.gz FYKFTSNWPPBNNT-LZCJLJQNSA-N 0 1 436.739 5.520 50 30 IKEAMN Clc1ccc(CO/N=C(\CN2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1 ZINC000022872905 526950217 /nfs/dbraw/zinc/95/02/17/526950217.db2.gz LQRDOURQCAQITO-BYCLXTJYSA-N 0 1 433.983 5.079 50 30 IKEAMN O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1O ZINC000033702904 527655878 /nfs/dbraw/zinc/65/58/78/527655878.db2.gz OXJNAMHGUAYTFA-AQTBWJFISA-N 0 1 436.507 6.446 50 30 IKEAMN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000674137 555532739 /nfs/dbraw/zinc/53/27/39/555532739.db2.gz MDSSCXDGYAOCPG-CRICUBBOSA-N 0 1 443.459 5.108 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000000688809 555541348 /nfs/dbraw/zinc/54/13/48/555541348.db2.gz RBSIDMDQXNRZGZ-QHCPKHFHSA-N 0 1 442.481 6.258 50 30 IKEAMN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccs1 ZINC000000986589 555595069 /nfs/dbraw/zinc/59/50/69/555595069.db2.gz ZTASUGYKTPNPGU-NIYFSFCBSA-N 0 1 442.584 6.305 50 30 IKEAMN Cn1cccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2ccccc2N1C(=O)Cc1ccccc1 ZINC000001201652 555678801 /nfs/dbraw/zinc/67/88/01/555678801.db2.gz LSQGSDDXGORWJA-MHZLTWQESA-N 0 1 439.559 5.411 50 30 IKEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000001204428 555679953 /nfs/dbraw/zinc/67/99/53/555679953.db2.gz LMWOXDKLWIKHDC-XTXDOFFSSA-N 0 1 429.447 5.017 50 30 IKEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccs1 ZINC000001413462 555694728 /nfs/dbraw/zinc/69/47/28/555694728.db2.gz DEQPEHJGLWNOEA-QFIPXVFZSA-N 0 1 446.503 5.190 50 30 IKEAMN Oc1ccc(Br)cc1/C=N/c1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000001883777 555722291 /nfs/dbraw/zinc/72/22/91/555722291.db2.gz MIGKQKBPMOFICQ-SSDVNMTOSA-N 0 1 425.307 5.888 50 30 IKEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000002695937 555799775 /nfs/dbraw/zinc/79/97/75/555799775.db2.gz LGYHSGZFCNGXQQ-WPWMEQJKSA-N 0 1 442.588 6.366 50 30 IKEAMN COc1ccc(C=Nn2c(=S)[nH]nc2C(F)F)cc1COc1ccc2ccccc2c1 ZINC000002791306 556143885 /nfs/dbraw/zinc/14/38/85/556143885.db2.gz DFAUTIDWMLWHAC-BRJLIKDPSA-N 0 1 440.475 5.127 50 30 IKEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nccs2)c1 ZINC000008384348 556160025 /nfs/dbraw/zinc/16/00/25/556160025.db2.gz WSCAKRWHDMLFCI-LJQANCHMSA-N 0 1 438.505 5.006 50 30 IKEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000008384115 556160065 /nfs/dbraw/zinc/16/00/65/556160065.db2.gz HUXPANHDIQORGD-JOCHJYFZSA-N 0 1 448.544 5.101 50 30 IKEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(CC)cc4)nc3c2)c1O ZINC000008386648 556162186 /nfs/dbraw/zinc/16/21/86/556162186.db2.gz GVJWOAQHORDAQX-AFUMVMLFSA-N 0 1 431.448 5.820 50 30 IKEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccc(F)c1 ZINC000008438703 556174957 /nfs/dbraw/zinc/17/49/57/556174957.db2.gz VSLOTBYHIRQVRY-DEOSSOPVSA-N 0 1 440.474 5.128 50 30 IKEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Br)cc1 ZINC000008715662 556201990 /nfs/dbraw/zinc/20/19/90/556201990.db2.gz FACFRSNELMLMHL-FQEVSTJZSA-N 0 1 440.337 5.360 50 30 IKEAMN Cc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)c1C ZINC000008741900 556207369 /nfs/dbraw/zinc/20/73/69/556207369.db2.gz ZRCJIXRZXOCBDR-OZSVZHKOSA-N 0 1 429.545 5.468 50 30 IKEAMN O=C(c1cccs1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000008742399 556207414 /nfs/dbraw/zinc/20/74/14/556207414.db2.gz QWEUJZVWVIGFFA-GOSISDBHSA-N 0 1 445.327 5.228 50 30 IKEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000008996291 556239988 /nfs/dbraw/zinc/23/99/88/556239988.db2.gz GFZGGNOCYASFLQ-JOCHJYFZSA-N 0 1 448.906 5.305 50 30 IKEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2cccc(C)c2)cc1OCc1ccccc1 ZINC000009013313 556240881 /nfs/dbraw/zinc/24/08/81/556240881.db2.gz NLZJLZCLMHGDIX-MFKUBSTISA-N 0 1 430.533 5.386 50 30 IKEAMN CC(C)Oc1cccc(-c2n[nH]c(=S)n2N=Cc2cc(Br)ccc2F)c1 ZINC000009014027 556241157 /nfs/dbraw/zinc/24/11/57/556241157.db2.gz VHSDPQSZHHCCRF-UFFVCSGVSA-N 0 1 435.322 5.179 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000009046271 556242837 /nfs/dbraw/zinc/24/28/37/556242837.db2.gz VXDXCRGRXUBKCO-HXUWFJFHSA-N 0 1 448.450 5.357 50 30 IKEAMN COc1ccccc1-c1n[nH]c(=S)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000009088298 556245876 /nfs/dbraw/zinc/24/58/76/556245876.db2.gz UHJOYOBMIXYUGW-MFKUBSTISA-N 0 1 446.532 5.086 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000009108825 556247067 /nfs/dbraw/zinc/24/70/67/556247067.db2.gz WPOXPGJSMHNBDH-HXUWFJFHSA-N 0 1 441.380 5.627 50 30 IKEAMN COc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2ccccc2N1C(=O)C1CCCCC1 ZINC000009264185 556270463 /nfs/dbraw/zinc/27/04/63/556270463.db2.gz GDZACYRSGQJUCA-SANMLTNESA-N 0 1 430.548 5.782 50 30 IKEAMN Cc1nn(-c2ccccc2)c(C)c1C=Nn1c(=S)[nH]nc1-c1ccc(C(C)(C)C)cc1 ZINC000009319462 556280679 /nfs/dbraw/zinc/28/06/79/556280679.db2.gz REJRUZRZEKNGGI-MFKUBSTISA-N 0 1 430.581 5.590 50 30 IKEAMN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000009370625 556286142 /nfs/dbraw/zinc/28/61/42/556286142.db2.gz RVFGCCQXPBNYMV-OAQYLSRUSA-N 0 1 448.316 5.228 50 30 IKEAMN Cc1cc2c(cc1C)N[C@@H](c1cc(Cl)cc(Cl)c1O)C1=C(CC(C)(C)CC1=O)N2 ZINC000009465434 556293135 /nfs/dbraw/zinc/29/31/35/556293135.db2.gz NXGKLYDNEOFGNI-NRFANRHFSA-N 0 1 431.363 6.538 50 30 IKEAMN CCCCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O ZINC000013750688 556299008 /nfs/dbraw/zinc/29/90/08/556299008.db2.gz CFTVGFJHCXEYDF-MLKPGFSBSA-N 0 1 445.588 5.873 50 30 IKEAMN CCCCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O ZINC000013750690 556299039 /nfs/dbraw/zinc/29/90/39/556299039.db2.gz CFTVGFJHCXEYDF-UVQVWFEYSA-N 0 1 445.588 5.873 50 30 IKEAMN O=C(c1ccccc1)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000009861332 556314620 /nfs/dbraw/zinc/31/46/20/556314620.db2.gz UENBBEOHPDSUAO-VWLOTQADSA-N 0 1 428.919 6.161 50 30 IKEAMN CN(C)c1ccc([C@H]2C3=C(CCCC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000009861331 556314644 /nfs/dbraw/zinc/31/46/44/556314644.db2.gz DVWAKHSJMLPFLW-MHZLTWQESA-N 0 1 437.543 5.573 50 30 IKEAMN CC(C)C(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000009861337 556315036 /nfs/dbraw/zinc/31/50/36/556315036.db2.gz CXRNYWZRPIVGDD-JOCHJYFZSA-N 0 1 429.347 6.156 50 30 IKEAMN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4S[C@@H]3c3ccc(Cl)cc3)C2)cc1 ZINC000010035302 556323106 /nfs/dbraw/zinc/32/31/06/556323106.db2.gz XUAGXEOBLFQHEV-WXTAPIANSA-N 0 1 447.987 7.008 50 30 IKEAMN COc1ccc([C@@H]2C3C(=O)C[C@@H](C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000010035313 556323124 /nfs/dbraw/zinc/32/31/24/556323124.db2.gz KQYMAEBHQWVZEK-XRHLQHRESA-N 0 1 438.527 5.762 50 30 IKEAMN N#Cc1nc(COc2ccc(Cl)cc2)oc1NC[C@@H](c1ccccc1)N1CCCCC1 ZINC000032624557 556411485 /nfs/dbraw/zinc/41/14/85/556411485.db2.gz GXFMLLNYWNJWAA-QFIPXVFZSA-N 0 1 436.943 5.418 50 30 IKEAMN Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2SCc2ccccc2)cc1 ZINC000032828842 556413274 /nfs/dbraw/zinc/41/32/74/556413274.db2.gz JFJZDFCBSSSARC-JOCHJYFZSA-N 0 1 445.569 5.269 50 30 IKEAMN O=C(C[C@H]1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2 ZINC000015054366 556490180 /nfs/dbraw/zinc/49/01/80/556490180.db2.gz BJKOPLOZQDQIOT-KQWPUEFFSA-N 0 1 440.568 5.975 50 30 IKEAMN Cc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000015826265 556554190 /nfs/dbraw/zinc/55/41/90/556554190.db2.gz MTMYSPZMMJHIKN-VWLOTQADSA-N 0 1 442.584 6.513 50 30 IKEAMN CCCCC1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O ZINC000034807855 556582928 /nfs/dbraw/zinc/58/29/28/556582928.db2.gz LEHKLFXCYIZPJE-WWFKBGPPSA-N 0 1 443.616 6.481 50 30 IKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1F ZINC000016731760 556631415 /nfs/dbraw/zinc/63/14/15/556631415.db2.gz TZZSGINJMGTZAB-HSZRJFAPSA-N 0 1 433.479 5.629 50 30 IKEAMN O=C(Nc1nnc(S(=O)(=O)Cc2ccccc2)s1)c1sc2ccccc2c1Cl ZINC000017044524 556654075 /nfs/dbraw/zinc/65/40/75/556654075.db2.gz RDWOTVRJFMFYDZ-UHFFFAOYSA-N 0 1 449.966 5.016 50 30 IKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)C(F)(F)F)[C@@H]2c2cccc(F)c2)C1 ZINC000017124854 556668958 /nfs/dbraw/zinc/66/89/58/556668958.db2.gz VQABUBVJJRBHPY-HXUWFJFHSA-N 0 1 432.417 5.531 50 30 IKEAMN Cc1ccc2nc(-c3cc(/N=C\c4ccc(OCc5ccccc5)cc4)ccc3O)oc2c1 ZINC000018066319 556682744 /nfs/dbraw/zinc/68/27/44/556682744.db2.gz XKJWGLWDKVKGIC-RHANQZHGSA-N 0 1 434.495 6.838 50 30 IKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(F)c1 ZINC000018137672 556684649 /nfs/dbraw/zinc/68/46/49/556684649.db2.gz FCTUPJZLWWGATE-HRFSGMKKSA-N 0 1 426.491 5.746 50 30 IKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000018155903 556685211 /nfs/dbraw/zinc/68/52/11/556685211.db2.gz AUGPVCVOLVUIRU-GKVSMKOHSA-N 0 1 432.907 5.854 50 30 IKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000018172873 556685624 /nfs/dbraw/zinc/68/56/24/556685624.db2.gz BQCCHOWCZWHBJU-VWLOTQADSA-N 0 1 434.536 5.257 50 30 IKEAMN O=C1c2ccccc2C2=C1[C@H](c1cc(Br)ccc1F)Sc1ccccc1N2 ZINC000018180985 556685738 /nfs/dbraw/zinc/68/57/38/556685738.db2.gz QVMHTKLJLLFRFP-QFIPXVFZSA-N 0 1 438.321 6.455 50 30 IKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)c1O ZINC000003114337 556685961 /nfs/dbraw/zinc/68/59/61/556685961.db2.gz XPIIILUAORFPGR-VULFUBBASA-N 0 1 445.475 6.165 50 30 IKEAMN Oc1c(Cl)cc(Br)cc1/C=N/c1cccc(-c2nc3ccccc3o2)c1 ZINC000003114654 556686167 /nfs/dbraw/zinc/68/61/67/556686167.db2.gz WPZZTCMQQAJIND-FOKLQQMPSA-N 0 1 427.685 6.367 50 30 IKEAMN COc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)c1 ZINC000018249861 556688155 /nfs/dbraw/zinc/68/81/55/556688155.db2.gz YDTXFOIGDQGKQP-NRFANRHFSA-N 0 1 444.453 5.401 50 30 IKEAMN COc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000018323439 556689414 /nfs/dbraw/zinc/68/94/14/556689414.db2.gz MPDSXYRJWFCSBN-HFJWLAOPSA-N 0 1 428.488 5.209 50 30 IKEAMN COc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000018323443 556689466 /nfs/dbraw/zinc/68/94/66/556689466.db2.gz MPDSXYRJWFCSBN-DWXRJYCRSA-N 0 1 428.488 5.209 50 30 IKEAMN S=c1[nH]nc(-c2ccccc2Br)n1N=Cc1ccccc1Br ZINC000019879340 556936513 /nfs/dbraw/zinc/93/65/13/556936513.db2.gz ZRHLTZBCSOPSEA-GIJQJNRQSA-N 0 1 438.148 5.015 50 30 IKEAMN CCCCCOc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000020102421 556980479 /nfs/dbraw/zinc/98/04/79/556980479.db2.gz NRDBJDKPOMYMQR-JBASAIQMSA-N 0 1 439.603 5.977 50 30 IKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c1O ZINC000014922968 557121320 /nfs/dbraw/zinc/12/13/20/557121320.db2.gz YSJLATCGOPKBCC-YSURURNPSA-N 0 1 441.802 5.660 50 30 IKEAMN COc1cc(/N=C/c2cc(Br)cc(Cl)c2O)ccc1NC(=O)c1ccco1 ZINC000098087275 557123804 /nfs/dbraw/zinc/12/38/04/557123804.db2.gz PMSZPJFLCGMBSG-LSHDLFTRSA-N 0 1 449.688 5.413 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000000707463 557140700 /nfs/dbraw/zinc/14/07/00/557140700.db2.gz SXORILIGIJBYLH-FQEVSTJZSA-N 0 1 441.380 5.627 50 30 IKEAMN CCCCCCCCOc1ccc(-c2c3c[nH]nc3nc3c4ccc(O)c(O)c4oc32)cc1 ZINC000218122564 557177095 /nfs/dbraw/zinc/17/70/95/557177095.db2.gz QMLUFQQSSSFIAW-UHFFFAOYSA-N 0 1 445.519 6.675 50 30 IKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccc(OC(F)(F)F)cc1 ZINC000101055256 557217276 /nfs/dbraw/zinc/21/72/76/557217276.db2.gz AQAJMQBTPKLOKE-IFRROFPPSA-N 0 1 439.025 5.566 50 30 IKEAMN Cc1nc(Nc2ccc(C)cc2[N+](=O)[O-])sc1C(=O)/C=C/c1c(O)ccc2ccccc21 ZINC000025586177 557217678 /nfs/dbraw/zinc/21/76/78/557217678.db2.gz XOEGCFSJMAPYHG-FMIVXFBMSA-N 0 1 445.500 6.167 50 30 IKEAMN CCCCCCCCCCCCNC(=O)c1cc(Br)c2ccccc2c1O ZINC000100072007 557240006 /nfs/dbraw/zinc/24/00/06/557240006.db2.gz CGGGGQNSARMICB-UHFFFAOYSA-N 0 1 434.418 6.959 50 30 IKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@@H]1c1cccc(F)c1 ZINC000018179087 557246015 /nfs/dbraw/zinc/24/60/15/557246015.db2.gz VUXPEMRNQDGDKF-PIKZIKFNSA-N 0 1 440.518 6.055 50 30 IKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccccc1Br ZINC000100454362 557261722 /nfs/dbraw/zinc/26/17/22/557261722.db2.gz FTGPCBHDKGQKTR-REZTVBANSA-N 0 1 433.925 5.430 50 30 IKEAMN CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000100959293 557280083 /nfs/dbraw/zinc/28/00/83/557280083.db2.gz FJNMRFSIFOTQDI-GOTSBPSXSA-N 0 1 443.528 5.054 50 30 IKEAMN CCCCCCC[C@@](O)(c1ccc(OCC)cc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000101662244 557293512 /nfs/dbraw/zinc/29/35/12/557293512.db2.gz BDHOAVLJCSZZQQ-WUFINQPMSA-N 0 1 439.640 5.749 50 30 IKEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102368969 557318294 /nfs/dbraw/zinc/31/82/94/557318294.db2.gz UJHPSZJFOCZCPG-HOGKFDNTSA-N 0 1 448.906 5.149 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000102502388 557339068 /nfs/dbraw/zinc/33/90/68/557339068.db2.gz ROMUWBVABRQNOU-YDJIHCHBSA-N 0 1 442.273 5.759 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000102506629 557339936 /nfs/dbraw/zinc/33/99/36/557339936.db2.gz ZAYNSVPITQDRCW-YDJIHCHBSA-N 0 1 448.450 5.201 50 30 IKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)sc1C ZINC000102514789 557350719 /nfs/dbraw/zinc/35/07/19/557350719.db2.gz KHMLZOLRNZHSSP-GHNGSUTGSA-N 0 1 442.899 5.179 50 30 IKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)sc1C ZINC000102514781 557350782 /nfs/dbraw/zinc/35/07/82/557350782.db2.gz KHMLZOLRNZHSSP-SELCWUDQSA-N 0 1 442.899 5.179 50 30 IKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000102619223 557359634 /nfs/dbraw/zinc/35/96/34/557359634.db2.gz JZXZXNHFOCTHJU-NHFXJNLRSA-N 0 1 441.380 5.471 50 30 IKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccco3)sc2c1 ZINC000102802970 557385648 /nfs/dbraw/zinc/38/56/48/557385648.db2.gz FOQLOESFQAVPSU-SELCWUDQSA-N 0 1 436.514 5.140 50 30 IKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccs2)sc1C ZINC000102800345 557390082 /nfs/dbraw/zinc/39/00/82/557390082.db2.gz RQNQQYQBGQKQKM-UYTDBDHRSA-N 0 1 430.938 5.101 50 30 IKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3F)sc2c1 ZINC000102800573 557390654 /nfs/dbraw/zinc/39/06/54/557390654.db2.gz XZQOAGHGJHTIHM-YDJIHCHBSA-N 0 1 448.475 5.217 50 30 IKEAMN O=C(c1cccs1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102802891 557391299 /nfs/dbraw/zinc/39/12/99/557391299.db2.gz LIPAXNJFABKUHE-SELCWUDQSA-N 0 1 445.327 5.072 50 30 IKEAMN O=C1N(c2ccccc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@H](N2CCCC2)C12CCCCC2 ZINC000033435809 557398022 /nfs/dbraw/zinc/39/80/22/557398022.db2.gz WOMTWXKWWUQOJQ-ISNHSLPUSA-N 0 1 445.651 5.815 50 30 IKEAMN COc1ccc(/N=C2\[C@@H](N3CCCCC3)C3(CCCCC3)C(=O)N2c2ccccc2)cc1 ZINC000033435830 557398323 /nfs/dbraw/zinc/39/83/23/557398323.db2.gz BLELGNIPSPWMPO-CZSVHLHGSA-N 0 1 431.580 5.577 50 30 IKEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccc(F)cc1 ZINC000104134867 557451119 /nfs/dbraw/zinc/45/11/19/557451119.db2.gz HIBCPDDLSNBMJZ-JBCNATCCSA-N 0 1 437.854 5.114 50 30 IKEAMN CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc2c(c1)OCO2 ZINC000000854104 557831007 /nfs/dbraw/zinc/83/10/07/557831007.db2.gz BYIRBTICBVTIIR-DEOSSOPVSA-N 0 1 432.520 5.214 50 30 biogenic IKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(Oc3ccccc3)c2)no1 ZINC000009349817 562969448 /nfs/dbraw/zinc/96/94/48/562969448.db2.gz VXQIAZGZAQAYKQ-QFIPXVFZSA-N 0 1 442.427 5.151 50 30 IKEAMN C=CCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)c(C)n1 ZINC000012438895 562982092 /nfs/dbraw/zinc/98/20/92/562982092.db2.gz QTDMWNSQXGCHID-UHFFFAOYSA-N 0 1 448.998 5.549 50 30 IKEAMN Oc1c(Cl)cccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1 ZINC000003663655 568753605 /nfs/dbraw/zinc/75/36/05/568753605.db2.gz LWBIBTDQMPEYDR-KBKYJPHKSA-N 0 1 426.221 7.261 50 30 IKEAMN Clc1ccc(COc2ccccc2C=NNc2nc3ccccc3s2)c(Cl)c1 ZINC000004133067 568781303 /nfs/dbraw/zinc/78/13/03/568781303.db2.gz VGRAYMLUGFWSIZ-WYMPLXKRSA-N 0 1 428.344 6.628 50 30 IKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1F ZINC000016731114 568792563 /nfs/dbraw/zinc/79/25/63/568792563.db2.gz UTPRYMKBYHTWKB-HXUWFJFHSA-N 0 1 425.843 5.159 50 30 IKEAMN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cc(Cl)cc(Cl)c1O ZINC000006077110 568821209 /nfs/dbraw/zinc/82/12/09/568821209.db2.gz NKHUQNISLANXKO-QHCPKHFHSA-N 0 1 438.354 7.162 50 30 IKEAMN C=CCn1cc(CN2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)c(C)n1 ZINC000012075228 568821332 /nfs/dbraw/zinc/82/13/32/568821332.db2.gz TZLZEBCRINFRNE-UHFFFAOYSA-N 0 1 428.580 5.204 50 30 IKEAMN OC1(CC#CCN(Cc2ccccc2)Cc2ccccc2)c2ccccc2-c2ccccc21 ZINC000013809838 568824173 /nfs/dbraw/zinc/82/41/73/568824173.db2.gz MYKFOZGWZSCYOS-UHFFFAOYSA-N 0 1 429.563 5.999 50 30 IKEAMN C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2ccccn2)CC1 ZINC000014998703 568827640 /nfs/dbraw/zinc/82/76/40/568827640.db2.gz CIFGYBDMSTYHMN-UHFFFAOYSA-N 0 1 440.016 5.184 50 30 IKEAMN COc1c2c(cc3c1[C@H](C/C(=N/O)C(CC=C(C)C)CC=C(C)C)N(C)CC3)OCO2 ZINC000006262261 568881247 /nfs/dbraw/zinc/88/12/47/568881247.db2.gz DXIVGIUXGUGYMH-JDFKBJJRSA-N 0 1 428.573 5.502 50 30 IKEAMN Cc1ccc(OCc2nc(C#N)c(NC[C@@H](c3ccccc3)N3CCCCC3)o2)c(C)c1 ZINC000035671554 568897219 /nfs/dbraw/zinc/89/72/19/568897219.db2.gz IHMYCMCEVHEOIR-QHCPKHFHSA-N 0 1 430.552 5.381 50 30 IKEAMN CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(Oc2ccccc2)cc1 ZINC000026841466 568918070 /nfs/dbraw/zinc/91/80/70/568918070.db2.gz BOMAOFOTBQZVIL-DEOSSOPVSA-N 0 1 443.499 5.394 50 30 IKEAMN CCCCc1n[nH]c(=S)n1N=Cc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000001915878 568922484 /nfs/dbraw/zinc/92/24/84/568922484.db2.gz VBRUEOPAWCRCPT-WYMPLXKRSA-N 0 1 448.951 5.546 50 30 IKEAMN O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1cc(Br)cc(Cl)c1O ZINC000001953633 568923731 /nfs/dbraw/zinc/92/37/31/568923731.db2.gz FWBZKGLQKZGAAX-MLPAPPSSSA-N 0 1 444.137 5.353 50 30 IKEAMN CCc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733084 568968515 /nfs/dbraw/zinc/96/85/15/568968515.db2.gz NXIUQVDDGSOMDX-QFIPXVFZSA-N 0 1 427.548 5.848 50 30 IKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccs2)sc1C ZINC000017147244 569174748 /nfs/dbraw/zinc/17/47/48/569174748.db2.gz NUEIDWCSJXAJPD-INIZCTEOSA-N 0 1 430.938 5.258 50 30 IKEAMN Cc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccccc3)c(C#N)c(=O)[nH]2)cc1 ZINC000017173013 569175255 /nfs/dbraw/zinc/17/52/55/569175255.db2.gz RNQLLXUXWRKUKX-UHFFFAOYSA-N 0 1 428.495 5.742 50 30 IKEAMN COc1ccc(C=Nc2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)cc1OC ZINC000252594642 569192961 /nfs/dbraw/zinc/19/29/61/569192961.db2.gz BUEYLKHZRGSIHI-UHFFFAOYSA-N 0 1 426.303 6.305 50 30 IKEAMN O=C(Nc1cc(Cl)ccc1Cl)C(N=Nc1ccc(Cl)cc1)C(=O)c1ccccc1 ZINC000252617378 569197612 /nfs/dbraw/zinc/19/76/12/569197612.db2.gz KRMHUPHTIHZVRU-UHFFFAOYSA-N 0 1 446.721 5.936 50 30 IKEAMN O=C1/C(=C\c2cc(Cl)cc(Cl)c2O)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252627156 569203406 /nfs/dbraw/zinc/20/34/06/569203406.db2.gz RNTWUJDCCSQWMC-QCIUGURRSA-N 0 1 441.339 6.508 50 30 IKEAMN Cc1ccc2oc(-c3ccccc3N=Cc3cc(Cl)cc(Br)c3O)nc2c1 ZINC000252632257 569204905 /nfs/dbraw/zinc/20/49/05/569204905.db2.gz VRVUEDJWDHEHTP-UHFFFAOYSA-N 0 1 441.712 6.675 50 30 IKEAMN CCOc1ccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])cc(OC)c4O)ccc3o2)cc1 ZINC000027470490 569213883 /nfs/dbraw/zinc/21/38/83/569213883.db2.gz UHYIBWFHKGPWIQ-ZMOGYAJESA-N 0 1 433.420 5.267 50 30 IKEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1O ZINC000027473324 569213975 /nfs/dbraw/zinc/21/39/75/569213975.db2.gz VZFWZIXJVCJTOV-DHRITJCHSA-N 0 1 431.448 5.875 50 30 IKEAMN CCCCC1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2)C1=O ZINC000002261075 569215672 /nfs/dbraw/zinc/21/56/72/569215672.db2.gz HNCZVNSWRRRRSL-UHJWXMBMSA-N 0 1 444.398 5.473 50 30 IKEAMN CCCCC1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccccc2C)C1=O ZINC000002260457 569215712 /nfs/dbraw/zinc/21/57/12/569215712.db2.gz RGFJLHSGFCIJKQ-JYAWBRCSSA-N 0 1 439.581 5.037 50 30 IKEAMN CCC(C)(C)[C@H]1CCc2sc3ncnc(NN=Cc4c(F)cccc4Cl)c3c2C1 ZINC000027527948 569263446 /nfs/dbraw/zinc/26/34/46/569263446.db2.gz PFEWZTWVQXTLCZ-KCENJROVSA-N 0 1 430.980 6.471 50 30 IKEAMN CCC(C)(C)[C@@H]1CCc2sc3ncnc(NN=Cc4c(F)cccc4Cl)c3c2C1 ZINC000027527947 569263454 /nfs/dbraw/zinc/26/34/54/569263454.db2.gz PFEWZTWVQXTLCZ-ZMDPPLQJSA-N 0 1 430.980 6.471 50 30 IKEAMN Cc1nn(-c2ccccc2)c(C)c1C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000244678848 569269338 /nfs/dbraw/zinc/26/93/38/569269338.db2.gz ILHIFKKJWXBAAR-UHFFFAOYSA-N 0 1 447.586 5.211 50 30 IKEAMN COc1ccc(-c2nc(C#N)c(NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)o2)cc1 ZINC000027562695 569272560 /nfs/dbraw/zinc/27/25/60/569272560.db2.gz YFDWPOHDXHHIEA-JOCHJYFZSA-N 0 1 436.943 5.514 50 30 IKEAMN COc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)o2)cc1 ZINC000027562698 569272620 /nfs/dbraw/zinc/27/26/20/569272620.db2.gz YFDWPOHDXHHIEA-QFIPXVFZSA-N 0 1 436.943 5.514 50 30 IKEAMN Cc1ccc(C(=O)NC(Nc2ccccc2C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1 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